#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3s n GLY 36 N 0.00 1.32 3.76 4.83 0.00 -1.26 -4.91 105.19 108.93 3n3s n GLY 36 Ca 0.00 0.76 -0.40 0.00 0.00 0.00 0.00 46.02 46.37 3n3s n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3s s THR 37 N 2.52 3.41 0.40 2.61 2.01 -1.26 -5.04 115.64 120.29 3n3s s THR 37 Ca 0.85 1.40 0.07 0.00 0.31 0.00 0.00 61.69 64.32 3n3s s THR 37 Cb -0.67 -3.89 -0.08 0.00 0.01 0.00 0.00 72.50 67.87 3n3s s THR 37 CO 0.44 0.32 0.01 -0.94 -0.69 0.00 0.00 174.62 173.77 3n3s s SER 38 N -0.74 3.78 0.32 3.53 1.04 -1.26 -5.00 113.70 115.36 3n3s s SER 38 Ca 0.46 -1.37 0.01 0.00 0.48 0.00 0.00 55.95 55.53 3n3s s SER 38 Cb -0.33 -0.37 0.57 0.00 0.10 0.00 0.00 66.02 65.99 3n3s s SER 38 CO 0.42 -0.46 1.95 0.78 0.98 0.00 0.00 173.24 176.91 3n3s h ASN 39 N 1.79 0.84 -0.66 7.02 2.35 -1.96 -1.37 115.58 123.58 3n3s h ASN 39 Ca -0.44 -0.01 0.10 0.00 -0.55 0.00 0.00 56.30 55.40 3n3s h ASN 39 Cb 1.24 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 3n3s h ASN 39 CO 0.80 0.57 0.44 -0.09 -1.65 0.00 0.00 177.43 177.50 3n3s h ARG 40 N 0.97 0.51 -0.15 0.81 9.65 -1.96 -0.33 114.38 123.87 3n3s h ARG 40 Ca 0.33 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.14 3n3s h ARG 40 Cb 0.08 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3n3s h ARG 40 CO -0.10 0.33 -0.05 -0.44 2.80 0.00 0.00 179.97 182.51 3n3s h ASP 41 N 0.52 0.31 0.29 -3.80 3.32 -1.66 -2.97 116.42 112.43 3n3s h ASP 41 Ca 0.30 -0.39 -0.16 0.00 0.02 0.00 0.00 57.03 56.81 3n3s h ASP 41 Cb 0.50 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3n3s h ASP 41 CO -0.10 0.63 -0.62 -0.50 -1.72 0.00 0.00 179.24 176.94 3n3s h TRP 42 N -0.01 0.41 -2.17 4.55 -0.00 -0.99 -3.38 115.95 114.36 3n3s h TRP 42 Ca 0.04 -0.16 -0.58 0.00 -0.00 0.00 0.00 58.89 58.19 3n3s h TRP 42 Cb 0.51 -0.07 -0.40 0.00 -0.00 0.00 0.00 29.16 29.19 3n3s h TRP 42 CO 0.06 0.85 -0.91 0.91 -0.00 0.00 0.00 178.44 179.36 3n3s n TRP 43 N -3.88 0.99 0.36 0.49 8.01 -0.17 -4.96 117.44 118.28 3n3s n TRP 43 Ca -0.03 -3.76 0.13 0.00 -1.31 0.00 0.00 57.50 52.54 3n3s n TRP 43 Cb 0.63 -0.36 0.55 0.00 -2.01 0.00 0.00 31.31 30.12 3n3s n TRP 43 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3n3s h PRO 44 N 4.33 0.00 -0.43 -0.99 0.13 -1.70 -2.54 132.00 130.80 3n3s h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3n3s h PRO 44 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3n3s h PRO 44 CO 0.58 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.44 3n3s n ASN 45 N -2.44 3.49 -4.65 1.44 3.02 -1.26 -4.99 115.26 109.87 3n3s n ASN 45 Ca 0.02 -1.98 -0.29 0.00 -0.03 0.00 0.00 54.58 52.30 3n3s n ASN 45 Cb 0.24 -0.28 0.18 0.00 -0.61 0.00 0.00 39.78 39.31 3n3s n ASN 45 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3n3s s GLN 46 N -1.37 0.37 0.05 3.52 -1.52 -0.96 -4.95 119.66 114.80 3n3s s GLN 46 Ca 0.39 0.69 -0.18 0.00 -1.95 0.00 0.00 55.36 54.31 3n3s s GLN 46 Cb 0.22 -1.72 -0.06 0.00 -0.22 0.00 0.00 33.01 31.23 3n3s s GLN 46 CO 0.31 -2.81 0.53 -1.17 -0.25 0.00 0.00 175.29 171.89 3n3s s LEU 47 N -6.56 4.51 -0.59 2.90 2.96 -1.26 -5.02 118.68 115.62 3n3s s LEU 47 Ca 0.65 1.18 -0.14 0.00 -0.22 0.00 0.00 54.13 55.60 3n3s s LEU 47 Cb -0.20 -2.82 0.15 0.00 0.50 0.00 0.00 46.19 43.82 3n3s s LEU 47 CO 0.59 0.28 0.53 -0.62 -1.32 0.00 0.00 176.35 175.81 3n3s s ASP 48 N -1.06 6.21 0.22 3.68 2.15 -1.26 -4.92 116.67 121.68 3n3s s ASP 48 Ca 0.28 -2.01 0.26 0.00 0.43 0.00 0.00 52.55 51.50 3n3s s ASP 48 Cb -0.19 -2.17 0.84 0.00 -0.30 0.00 0.00 42.92 41.10 3n3s s ASP 48 CO 0.17 -0.77 1.77 0.18 -0.17 0.00 0.00 175.17 176.36 3n3s n LEU 49 N 4.91 0.79 -0.31 -1.34 4.77 -1.26 -3.48 117.00 121.08 3n3s n LEU 49 Ca -0.07 0.59 0.26 0.00 -0.03 0.00 0.00 56.01 56.76 3n3s n LEU 49 Cb 0.41 -0.36 0.58 0.00 -2.33 0.00 0.00 43.42 41.72 3n3s n LEU 49 CO 0.48 -0.24 1.24 0.28 -1.33 0.00 0.00 177.39 177.83 3n3s h SER 50 N 0.00 0.32 0.34 -1.43 0.02 -1.99 -0.50 113.55 110.31 3n3s h SER 50 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3n3s h SER 50 Cb 0.68 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3n3s h SER 50 CO 0.00 0.06 0.00 0.16 -1.14 0.00 0.00 176.83 175.91 3n3s h ILE 51 N 0.28 0.00 -0.00 3.27 3.07 -2.00 -0.47 117.51 121.66 3n3s h ILE 51 Ca 0.58 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.82 3n3s h ILE 51 Cb 1.68 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 3n3s h ILE 51 CO -0.21 0.00 -0.20 0.18 -1.05 0.00 0.00 178.15 176.87 3n3s n LEU 52 N -2.98 0.24 -0.30 0.16 4.77 -0.20 -4.12 117.00 114.57 3n3s n LEU 52 Ca -0.02 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.30 3n3s n LEU 52 Cb 0.15 -0.37 0.16 0.00 -2.33 0.00 0.00 43.42 41.02 3n3s n LEU 52 CO 0.21 0.06 0.48 1.41 -1.33 0.00 0.00 177.39 178.22 3n3s n HIS 53 N -1.44 0.00 -1.86 -1.77 8.25 -0.19 -4.30 115.22 113.91 3n3s n HIS 53 Ca 0.07 -1.12 -0.30 0.00 -0.26 0.00 0.00 57.72 56.11 3n3s n HIS 53 Cb 0.33 -0.18 0.04 0.00 1.12 0.00 0.00 29.99 31.30 3n3s n HIS 53 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3n3s s ARG 54 N -2.84 2.91 -1.14 -0.41 1.81 -1.21 -4.20 118.95 113.88 3n3s s ARG 54 Ca 0.33 0.51 -0.03 0.00 -1.72 0.00 0.00 55.73 54.82 3n3s s ARG 54 Cb 0.30 -2.02 0.00 0.00 -0.45 0.00 0.00 34.95 32.78 3n3s s ARG 54 CO -0.01 -1.01 0.36 0.72 -0.68 0.00 0.00 175.30 174.68 3n3s n HIS 55 N -3.00 -1.28 -1.41 -0.53 8.25 -1.26 -4.97 115.22 111.03 3n3s n HIS 55 Ca 0.07 0.31 -0.30 0.00 -0.26 0.00 0.00 57.72 57.53 3n3s n HIS 55 Cb 0.57 -3.43 0.09 0.00 1.12 0.00 0.00 29.99 28.34 3n3s n HIS 55 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3n3s s SER 56 N -2.71 4.52 0.56 0.41 1.04 -1.26 -4.88 113.70 111.37 3n3s s SER 56 Ca 0.18 1.57 0.38 0.00 0.48 0.00 0.00 55.95 58.55 3n3s s SER 56 Cb -0.08 -2.32 2.03 0.00 0.10 0.00 0.00 66.02 65.76 3n3s s SER 56 CO 0.22 -1.99 2.16 0.77 0.98 0.00 0.00 173.24 175.38 3n3s h SER 57 N -1.10 0.00 -0.53 7.02 4.64 -1.94 -2.51 113.55 119.14 3n3s h SER 57 Ca -0.46 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 3n3s h SER 57 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 3n3s h SER 57 CO 0.55 0.00 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.39 3n3s h LEU 58 N 0.00 0.98 -1.09 5.97 3.38 -2.00 -2.85 115.31 119.70 3n3s h LEU 58 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3n3s h LEU 58 Cb 0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3n3s h LEU 58 CO 0.00 1.06 -0.07 -1.54 0.09 0.00 0.00 178.44 177.98 3n3s n SER 59 N -4.17 1.77 -4.62 -0.43 3.41 -0.94 -4.83 113.62 103.81 3n3s n SER 59 Ca 0.02 -1.51 -0.39 0.00 -0.26 0.00 0.00 58.87 56.74 3n3s n SER 59 Cb 0.37 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.28 3n3s n SER 59 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n3s s ASP 60 N -2.11 6.28 0.00 4.04 -1.08 -1.08 -4.89 116.67 117.83 3n3s s ASP 60 Ca 0.33 0.32 0.27 0.00 -0.52 0.00 0.00 52.55 52.94 3n3s s ASP 60 Cb 0.20 -2.21 1.19 0.00 -1.46 0.00 0.00 42.92 40.64 3n3s s ASP 60 CO 0.37 -0.17 1.87 -0.81 0.52 0.00 0.00 175.17 176.96 3n3s n PRO 61 N 5.20 0.06 -2.82 4.34 -0.04 -1.26 -4.79 135.00 135.69 3n3s n PRO 61 Ca -0.08 0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 3n3s n PRO 61 Cb 0.51 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 3n3s n PRO 61 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3n3s s MET 62 N -2.93 3.70 0.98 0.54 -1.94 -1.26 -5.04 119.30 113.35 3n3s s MET 62 Ca 0.15 0.36 -0.13 0.00 -1.71 0.00 0.00 55.69 54.36 3n3s s MET 62 Cb 0.18 -2.40 0.10 0.00 2.01 0.00 0.00 34.83 34.71 3n3s s MET 62 CO 0.48 -0.07 0.62 0.41 -0.01 0.00 0.00 175.02 176.45 3n3s n GLY 63 N -1.57 -1.60 0.15 -0.03 0.00 -1.26 -4.86 105.19 96.02 3n3s n GLY 63 Ca 0.02 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.38 3n3s n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3n3s h LYS 64 N -1.82 0.00 -0.02 1.61 -0.00 -1.96 -2.04 116.57 112.34 3n3s h LYS 64 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 3n3s h LYS 64 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 3n3s h LYS 64 CO 0.38 0.00 -0.10 -0.25 -0.00 0.00 0.00 179.45 179.47 3n3s n ASP 65 N -2.41 1.95 -4.72 7.07 8.00 -1.26 -4.92 116.55 120.25 3n3s n ASP 65 Ca 0.03 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.55 3n3s n ASP 65 Cb 0.29 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 3n3s n ASP 65 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3n3s s PHE 66 N -2.15 2.97 -0.28 1.24 5.36 -0.77 -4.97 117.98 119.38 3n3s s PHE 66 Ca 0.30 0.49 0.02 0.00 -0.96 0.00 0.00 56.93 56.78 3n3s s PHE 66 Cb 0.20 -4.04 0.08 0.00 -0.34 0.00 0.00 43.02 38.92 3n3s s PHE 66 CO 0.39 -3.88 -0.03 1.21 -1.46 0.00 0.00 175.22 171.44 3n3s s ASN 67 N 1.14 4.37 0.24 6.13 3.84 -1.26 -5.00 114.94 124.40 3n3s s ASN 67 Ca 0.72 -1.60 -0.04 0.00 0.21 0.00 0.00 52.86 52.15 3n3s s ASN 67 Cb -0.47 -1.43 0.27 0.00 -0.55 0.00 0.00 41.25 39.07 3n3s s ASN 67 CO 0.32 -0.28 1.77 0.22 -2.79 0.00 0.00 177.10 176.35 3n3s h TYR 68 N 7.79 0.99 -0.91 0.43 3.20 -1.94 -2.54 116.97 123.99 3n3s h TYR 68 Ca -0.14 -0.11 0.09 0.00 3.14 0.00 0.00 58.73 61.72 3n3s h TYR 68 Cb 1.04 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 3n3s h TYR 68 CO 0.53 0.83 0.55 0.00 -1.64 0.00 0.00 178.16 178.43 3n3s h ALA 69 N 1.23 1.30 -0.14 1.82 0.00 -1.94 0.53 119.26 122.06 3n3s h ALA 69 Ca 0.19 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3n3s h ALA 69 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3n3s h ALA 69 CO 0.00 0.22 -0.28 0.37 0.00 0.00 0.00 179.25 179.56 3n3s h GLN 70 N 0.94 0.26 -0.22 0.00 4.15 -1.92 -1.00 115.11 117.31 3n3s h GLN 70 Ca 0.43 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.67 3n3s h GLN 70 Cb 0.33 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3n3s h GLN 70 CO -0.23 0.52 -0.19 0.00 -1.93 0.00 0.00 178.83 177.01 3n3s h ALA 71 N 1.48 0.32 -0.29 3.38 0.00 -0.83 -3.21 119.26 120.11 3n3s h ALA 71 Ca 0.03 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3n3s h ALA 71 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3n3s h ALA 71 CO 0.05 0.24 -0.33 0.35 0.00 0.00 0.00 179.25 179.56 3n3s h PHE 72 N 0.20 0.73 0.00 0.00 3.57 -0.79 -2.82 116.94 117.83 3n3s h PHE 72 Ca 0.04 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 3n3s h PHE 72 Cb 0.73 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 3n3s h PHE 72 CO 0.08 0.87 -0.05 0.93 -2.23 0.00 0.00 178.31 177.91 3n3s h GLU 73 N 0.53 0.00 -0.01 1.11 5.08 -1.19 -1.13 114.58 118.97 3n3s h GLU 73 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3n3s h GLU 73 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3n3s h GLU 73 CO 0.07 0.05 -0.30 1.63 -1.00 0.00 0.00 179.01 179.46 3n3s n LYS 74 N -3.48 1.15 -1.74 2.33 4.76 -1.08 -4.95 118.16 115.15 3n3s n LYS 74 Ca -0.02 -0.82 -0.42 0.00 -2.87 0.00 0.00 58.31 54.18 3n3s n LYS 74 Cb 0.17 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 3n3s n LYS 74 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3n3s n LEU 75 N -0.21 4.23 -4.52 -0.35 7.94 -0.43 -4.93 117.00 118.73 3n3s n LEU 75 Ca 0.12 1.20 -0.43 0.00 -1.11 0.00 0.00 56.01 55.80 3n3s n LEU 75 Cb 0.41 -1.56 -0.02 0.00 0.53 0.00 0.00 43.42 42.78 3n3s n LEU 75 CO 0.25 -0.08 1.40 -0.62 -1.11 0.00 0.00 177.39 177.23 3n3s s ASP 76 N -0.06 6.67 0.28 1.96 -1.08 -1.26 -4.83 116.67 118.35 3n3s s ASP 76 Ca 0.56 -2.01 -0.03 0.00 -0.52 0.00 0.00 52.55 50.55 3n3s s ASP 76 Cb -0.52 -2.50 0.39 0.00 -1.46 0.00 0.00 42.92 38.83 3n3s s ASP 76 CO 0.60 -1.21 1.93 0.25 0.52 0.00 0.00 175.17 177.26 3n3s h LEU 77 N 11.61 1.03 -1.12 -1.34 5.85 -1.92 -1.59 115.31 127.84 3n3s h LEU 77 Ca 0.25 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3n3s h LEU 77 Cb 0.97 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3n3s h LEU 77 CO 1.31 0.72 0.02 0.00 -0.34 0.00 0.00 178.44 180.15 3n3s h ALA 78 N 1.44 1.28 -0.64 1.25 0.00 -1.99 -0.65 119.26 119.94 3n3s h ALA 78 Ca 0.37 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3n3s h ALA 78 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3n3s h ALA 78 CO -0.10 0.49 0.13 0.00 0.00 0.00 0.00 179.25 179.77 3n3s h ALA 79 N 1.42 1.01 -0.53 0.00 0.00 -1.72 -1.14 119.26 118.31 3n3s h ALA 79 Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3n3s h ALA 79 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3n3s h ALA 79 CO 0.01 0.64 0.23 0.28 0.00 0.00 0.00 179.25 180.41 3n3s h VAL 80 N 0.98 1.21 -0.25 0.00 2.07 -0.88 -1.68 116.25 117.70 3n3s h VAL 80 Ca 0.20 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 3n3s h VAL 80 Cb 0.38 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3n3s h VAL 80 CO 0.01 0.24 -0.13 0.11 0.02 0.00 0.00 177.57 177.81 3n3s h LYS 81 N 0.71 0.42 -0.15 1.57 1.57 -0.90 0.15 116.57 119.93 3n3s h LYS 81 Ca 0.18 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3n3s h LYS 81 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3n3s h LYS 81 CO -0.02 0.55 -0.41 0.00 -0.57 0.00 0.00 179.45 179.00 3n3s h ARG 82 N 0.39 0.35 -0.46 3.15 3.08 -0.69 -0.09 114.38 120.10 3n3s h ARG 82 Ca 0.07 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 3n3s h ARG 82 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3n3s h ARG 82 CO 0.03 0.71 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.07 3n3s h ASP 83 N 0.29 0.91 -0.38 7.04 3.32 -0.64 -1.70 116.42 125.26 3n3s h ASP 83 Ca 0.03 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 3n3s h ASP 83 Cb 0.85 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3n3s h ASP 83 CO 0.07 1.06 0.00 -0.07 -1.72 0.00 0.00 179.24 178.58 3n3s h LEU 84 N 0.74 0.72 -0.41 1.55 3.38 -0.61 -1.22 115.31 119.46 3n3s h LEU 84 Ca 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3n3s h LEU 84 Cb 0.67 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3n3s h LEU 84 CO 0.05 0.79 0.07 -0.74 0.09 0.00 0.00 178.44 178.70 3n3s h HIS 85 N 0.71 0.72 -0.85 1.13 2.76 -0.77 -2.54 115.15 116.31 3n3s h HIS 85 Ca 0.14 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3n3s h HIS 85 Cb 0.43 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 3n3s h HIS 85 CO 0.02 0.70 0.48 0.00 -1.30 0.00 0.00 177.93 177.84 3n3s h ALA 86 N 0.93 1.25 -0.55 5.26 0.00 -1.12 -2.66 119.26 122.37 3n3s h ALA 86 Ca 0.13 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3n3s h ALA 86 Cb 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3n3s h ALA 86 CO 0.01 0.62 0.36 1.25 0.00 0.00 0.00 179.25 181.49 3n3s h LEU 87 N 1.18 0.54 -1.37 0.00 5.85 -0.85 -2.83 115.31 117.83 3n3s h LEU 87 Ca 0.30 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.14 3n3s h LEU 87 Cb -0.00 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3n3s h LEU 87 CO -0.05 0.37 0.53 0.24 -0.34 0.00 0.00 178.44 179.19 3n3s h MET 88 N 0.62 0.64 -0.21 1.25 2.86 -1.09 -1.61 114.93 117.39 3n3s h MET 88 Ca 0.22 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 3n3s h MET 88 Cb 0.10 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 3n3s h MET 88 CO -0.06 0.42 -0.11 0.25 1.06 0.00 0.00 176.91 178.48 3n3s n THR 89 N -4.52 2.32 -3.71 2.22 -2.24 -1.07 -0.41 114.28 106.87 3n3s n THR 89 Ca 0.15 -2.52 -0.36 0.00 -2.27 0.00 0.00 64.05 59.05 3n3s n THR 89 Cb 0.40 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.27 3n3s n THR 89 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n3s s THR 90 N -3.08 3.83 0.23 4.28 2.01 -0.61 -4.94 115.64 117.37 3n3s s THR 90 Ca 0.41 -3.24 -0.30 0.00 0.31 0.00 0.00 61.69 58.87 3n3s s THR 90 Cb 0.36 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 3n3s s THR 90 CO 0.02 -0.93 1.29 -0.55 -0.69 0.00 0.00 174.62 173.75 3n3s s SER 91 N 0.38 6.91 -0.09 3.53 0.15 -1.26 -4.95 113.70 118.37 3n3s s SER 91 Ca 0.20 2.45 -0.10 0.00 0.70 0.00 0.00 55.95 59.19 3n3s s SER 91 Cb -0.17 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.48 3n3s s SER 91 CO -0.06 -0.49 0.24 -1.10 1.20 0.00 0.00 173.24 173.03 3n3s s GLN 92 N -0.58 3.70 0.48 5.44 -1.52 -1.26 -4.95 119.66 120.97 3n3s s GLN 92 Ca 0.54 0.07 0.25 0.00 -1.95 0.00 0.00 55.36 54.26 3n3s s GLN 92 Cb -0.37 -3.23 1.17 0.00 -0.22 0.00 0.00 33.01 30.37 3n3s s GLN 92 CO 0.41 0.68 1.95 -0.44 -0.25 0.00 0.00 175.29 177.64 3n3s h ASP 93 N 5.12 0.00 0.85 5.90 3.32 -1.98 -1.54 116.42 128.08 3n3s h ASP 93 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3n3s h ASP 93 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3n3s h ASP 93 CO 0.62 0.19 0.00 -2.67 -1.72 0.00 0.00 179.24 175.65 3n3s n TRP 94 N -3.57 0.28 -2.77 4.55 4.27 -1.26 -4.21 117.44 114.73 3n3s n TRP 94 Ca -0.01 0.10 -0.08 0.00 -3.89 0.00 0.00 57.50 53.61 3n3s n TRP 94 Cb 0.33 -0.65 0.04 0.00 -1.36 0.00 0.00 31.31 29.67 3n3s n TRP 94 CO 0.00 0.00 0.00 1.87 -2.29 0.00 0.00 177.69 177.27 3n3s n TRP 95 N -1.74 -3.29 -1.64 -2.67 -0.00 -0.67 -4.98 117.44 102.45 3n3s n TRP 95 Ca 0.05 -1.78 -0.43 0.00 -0.00 0.00 0.00 57.50 55.34 3n3s n TRP 95 Cb 0.27 1.47 -0.01 0.00 -0.00 0.00 0.00 31.31 33.04 3n3s n TRP 95 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 3n3s n PRO 96 N 1.85 1.67 -2.34 5.87 -0.02 -0.69 -4.35 135.00 136.99 3n3s n PRO 96 Ca 0.11 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3n3s n PRO 96 Cb 0.61 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 3n3s n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n3s s ALA 97 N -1.10 3.53 0.29 3.55 0.00 -1.26 -4.49 121.76 122.27 3n3s s ALA 97 Ca 0.58 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 3n3s s ALA 97 Cb -0.63 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 18.83 3n3s s ALA 97 CO 0.60 -0.78 1.51 -0.25 0.00 0.00 0.00 175.76 176.84 3n3s n ASP 98 N 5.07 3.49 -0.64 0.00 10.43 -1.26 -2.03 116.55 131.60 3n3s n ASP 98 Ca 0.12 1.16 -0.08 0.00 2.57 0.00 0.00 54.79 58.55 3n3s n ASP 98 Cb 0.45 -1.55 -0.04 0.00 1.84 0.00 0.00 41.12 41.83 3n3s n ASP 98 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3n3s n PHE 99 N 1.76 0.00 -1.11 1.24 3.01 -0.35 -0.95 117.46 121.07 3n3s n PHE 99 Ca 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.51 3n3s n PHE 99 Cb 0.36 -2.44 -0.02 0.00 -0.01 0.00 0.00 39.48 37.37 3n3s n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n3s n GLY 100 N 0.11 0.59 2.94 1.37 0.00 -0.86 -5.00 105.19 104.33 3n3s n GLY 100 Ca -0.08 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 3n3s n GLY 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3n3s s HIS 101 N -1.85 -0.24 -2.09 1.61 5.04 -0.12 -4.41 115.29 113.24 3n3s s HIS 101 Ca 0.00 0.64 0.17 0.00 -1.54 0.00 0.00 55.06 54.33 3n3s s HIS 101 Cb 0.00 -0.09 0.81 0.00 0.04 0.00 0.00 32.58 33.34 3n3s s HIS 101 CO 0.00 -0.23 1.55 0.66 -2.34 0.00 0.00 174.74 174.38 3n3s n TYR 102 N 4.63 0.10 -0.06 3.88 4.01 0.45 -4.22 117.16 125.94 3n3s n TYR 102 Ca -0.18 -0.05 -0.09 0.00 -0.16 0.00 0.00 57.90 57.42 3n3s n TYR 102 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 3n3s n TYR 102 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3n3s h GLY 103 N 5.35 0.31 0.86 2.72 0.00 -1.92 -1.19 103.07 109.20 3n3s h GLY 103 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3n3s h GLY 103 CO 0.00 0.06 0.61 -1.33 0.00 0.00 0.00 176.54 175.87 3n3s h GLY 104 N 0.23 1.38 0.94 4.60 0.00 -1.88 0.13 103.07 108.47 3n3s h GLY 104 Ca 0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3n3s h GLY 104 CO -0.08 0.39 0.02 -2.00 0.00 0.00 0.00 176.54 174.87 3n3s h LEU 105 N 1.17 0.67 -0.89 3.11 5.85 -1.71 -0.75 115.31 122.77 3n3s h LEU 105 Ca 0.38 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3n3s h LEU 105 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3n3s h LEU 105 CO -0.13 0.80 -0.53 -0.26 -0.34 0.00 0.00 178.44 177.98 3n3s h PHE 106 N 0.53 0.10 -0.41 1.25 0.04 -0.83 -0.36 116.94 117.26 3n3s h PHE 106 Ca 0.12 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 3n3s h PHE 106 Cb 0.44 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3n3s h PHE 106 CO 0.03 0.59 0.04 0.82 -0.60 0.00 0.00 178.31 179.19 3n3s h ILE 107 N 0.06 1.25 -0.48 -0.55 2.04 -0.52 -1.17 117.51 118.15 3n3s h ILE 107 Ca -0.00 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 64.98 3n3s h ILE 107 Cb 0.95 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 3n3s h ILE 107 CO 0.07 0.32 0.20 -0.09 0.00 0.00 0.00 178.15 178.65 3n3s h ARG 108 N 0.53 0.38 -0.73 2.37 2.43 -1.00 0.62 114.38 118.99 3n3s h ARG 108 Ca 0.12 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3n3s h ARG 108 Cb 0.42 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 3n3s h ARG 108 CO 0.01 0.25 0.43 1.98 -1.51 0.00 0.00 179.97 181.13 3n3s h MET 109 N 0.39 0.76 -0.03 0.20 4.05 -0.77 0.17 114.93 119.71 3n3s h MET 109 Ca 0.22 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.36 3n3s h MET 109 Cb 0.19 -0.17 0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3n3s h MET 109 CO -0.20 0.50 -0.91 0.00 0.23 0.00 0.00 176.91 176.54 3n3s h ALA 110 N 1.37 0.15 -0.44 0.39 0.00 -0.91 -0.18 119.26 119.63 3n3s h ALA 110 Ca 0.33 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3n3s h ALA 110 Cb 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3n3s h ALA 110 CO -0.18 0.61 -0.01 2.35 0.00 0.00 0.00 179.25 182.02 3n3s h TRP 111 N 0.32 0.78 -0.03 0.00 2.91 -0.52 -2.15 115.95 117.27 3n3s h TRP 111 Ca -0.11 -0.11 -0.14 0.00 1.13 0.00 0.00 58.89 59.67 3n3s h TRP 111 Cb 1.56 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.99 3n3s h TRP 111 CO 0.11 0.74 -0.63 0.45 -1.03 0.00 0.00 178.44 178.07 3n3s h HIS 112 N 0.69 0.15 -0.44 2.65 3.86 -0.45 0.44 115.15 122.04 3n3s h HIS 112 Ca 0.13 -0.06 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3n3s h HIS 112 Cb 0.44 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 3n3s h HIS 112 CO 0.02 0.71 0.22 1.03 0.86 0.00 0.00 177.93 180.77 3n3s h SER 113 N 0.08 0.32 1.52 2.45 0.87 -0.70 -2.79 113.55 115.30 3n3s h SER 113 Ca -0.01 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 3n3s h SER 113 Cb 1.13 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 3n3s h SER 113 CO 0.09 0.23 -0.49 0.00 -0.53 0.00 0.00 176.83 176.12 3n3s h ALA 114 N 1.23 0.77 -0.03 6.23 0.00 -1.10 -2.85 119.26 123.52 3n3s h ALA 114 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3n3s h ALA 114 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3n3s h ALA 114 CO -0.13 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3n3s n GLY 115 N 1.17 -0.68 0.14 0.00 0.00 0.15 -2.86 105.19 103.13 3n3s n GLY 115 Ca 0.01 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3n3s n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3n3s n THR 116 N -0.57 0.00 -1.83 2.61 -2.24 -1.25 -4.79 114.28 106.21 3n3s n THR 116 Ca 0.18 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 3n3s n THR 116 Cb 0.16 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3n3s n THR 116 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3n3s s TYR 117 N -2.56 2.64 -0.03 4.78 5.04 -1.13 -4.21 117.35 121.88 3n3s s TYR 117 Ca 0.25 1.17 0.03 0.00 -2.44 0.00 0.00 57.07 56.08 3n3s s TYR 117 Cb 0.19 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.51 3n3s s TYR 117 CO 0.51 -2.92 -0.11 1.03 -1.34 0.00 0.00 175.55 172.73 3n3s s ARG 118 N -1.98 1.10 0.40 4.97 3.00 -0.40 -4.47 118.95 121.57 3n3s s ARG 118 Ca 0.53 -0.37 0.21 0.00 0.00 0.00 0.00 55.73 56.10 3n3s s ARG 118 Cb -0.46 -1.01 0.73 0.00 0.00 0.00 0.00 34.95 34.20 3n3s s ARG 118 CO 0.61 0.15 1.75 0.00 0.00 0.00 0.00 175.30 177.81 3n3s h THR 119 N 5.29 0.68 -0.98 0.02 1.03 -1.24 -0.20 112.91 117.51 3n3s h THR 119 Ca -0.33 -1.38 0.01 0.00 -0.01 0.00 0.00 66.41 64.71 3n3s h THR 119 Cb 1.17 1.90 -0.05 0.00 -1.07 0.00 0.00 68.15 70.10 3n3s h THR 119 CO 0.49 0.29 0.65 0.00 -0.01 0.00 0.00 175.52 176.94 3n3s h ALA 120 N 1.70 1.25 0.00 0.00 0.00 -1.84 -3.27 119.26 117.10 3n3s h ALA 120 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3n3s h ALA 120 Cb 0.88 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3n3s h ALA 120 CO 0.04 0.62 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3n3s n ASP 121 N -4.41 0.55 0.00 0.00 5.75 -1.24 -4.88 116.55 112.32 3n3s n ASP 121 Ca 0.12 -0.88 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 3n3s n ASP 121 Cb 0.02 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3n3s n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3n3s n GLY 122 N 0.12 0.87 3.90 6.12 0.00 -0.09 -4.70 105.19 111.41 3n3s n GLY 122 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3n3s n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3s s ARG 123 N -0.16 2.79 0.90 1.61 0.52 -1.24 -3.35 118.95 120.02 3n3s s ARG 123 Ca 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 3n3s s ARG 123 Cb 0.00 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.36 3n3s s ARG 123 CO 0.00 -0.96 0.00 0.41 0.02 0.00 0.00 175.30 174.77 3n3s n GLY 124 N -2.88 -2.03 0.00 -3.53 0.00 -1.26 -1.27 105.19 94.23 3n3s n GLY 124 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3n3s n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 125 N -0.28 0.44 0.18 -0.02 0.00 -1.26 -4.54 105.19 99.72 3n3s n GLY 125 Ca 0.00 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.17 3n3s n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 126 N 0.94 3.27 0.52 4.61 0.00 -1.08 -4.48 120.51 124.30 3n3s n ALA 126 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.12 3n3s n ALA 126 Cb 0.00 -1.11 0.36 0.00 0.00 0.00 0.00 19.45 18.71 3n3s n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3s n GLY 127 N 1.39 -1.09 0.09 0.00 0.00 -1.26 -2.34 105.19 101.98 3n3s n GLY 127 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.10 3n3s n GLY 127 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n3s n GLU 128 N -1.64 1.40 -2.18 1.61 1.02 -1.26 -4.31 120.64 115.28 3n3s n GLU 128 Ca 0.04 -1.17 -0.17 0.00 -0.02 0.00 0.00 57.16 55.83 3n3s n GLU 128 Cb 0.20 -1.04 -0.02 0.00 -0.02 0.00 0.00 31.44 30.56 3n3s n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n3s n GLY 129 N -0.15 0.03 0.00 0.62 0.00 -0.99 -3.59 105.19 101.11 3n3s n GLY 129 Ca 0.02 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.93 3n3s n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3n3s n GLN 130 N -2.63 0.00 0.29 1.61 1.13 -1.26 -2.42 117.38 114.10 3n3s n GLN 130 Ca -0.20 0.26 0.18 0.00 -1.94 0.00 0.00 57.00 55.30 3n3s n GLN 130 Cb 0.64 -1.50 0.97 0.00 0.11 0.00 0.00 30.24 30.46 3n3s n GLN 130 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3n3s h GLN 131 N 0.00 0.00 -0.04 -1.09 4.15 -1.90 -1.99 115.11 114.24 3n3s h GLN 131 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3n3s h GLN 131 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3n3s h GLN 131 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 178.83 179.79 3n3s n ARG 132 N -3.56 1.58 -4.47 1.69 1.85 -1.02 -2.75 116.66 109.99 3n3s n ARG 132 Ca -0.02 -0.85 -0.26 0.00 -1.00 0.00 0.00 57.85 55.72 3n3s n ARG 132 Cb 0.17 -1.46 -0.10 0.00 -1.05 0.00 0.00 32.46 30.02 3n3s n ARG 132 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3n3s s PHE 133 N -1.96 2.52 0.48 2.89 2.99 -0.75 -4.84 117.98 119.31 3n3s s PHE 133 Ca 0.38 -0.58 -0.21 0.00 0.00 0.00 0.00 56.93 56.51 3n3s s PHE 133 Cb 0.20 -1.69 -0.08 0.00 0.00 0.00 0.00 43.02 41.46 3n3s s PHE 133 CO 0.32 0.43 1.10 0.00 -0.00 0.00 0.00 175.22 177.07 3n3s s ALA 134 N -2.64 2.88 -0.74 5.36 0.00 -1.26 -1.11 121.76 124.25 3n3s s ALA 134 Ca 0.36 0.76 0.24 0.00 0.00 0.00 0.00 51.96 53.32 3n3s s ALA 134 Cb 0.06 -3.32 0.29 0.00 0.00 0.00 0.00 23.12 20.15 3n3s s ALA 134 CO 0.19 -0.51 1.25 -0.35 0.00 0.00 0.00 175.76 176.34 3n3s n PRO 135 N -0.80 0.20 -0.18 0.00 -0.04 -1.26 -4.65 135.00 128.27 3n3s n PRO 135 Ca 0.09 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 3n3s n PRO 135 Cb 0.51 -1.60 0.45 0.00 -0.04 0.00 0.00 33.50 32.82 3n3s n PRO 135 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3n3s h LEU 136 N 0.00 0.49 -1.92 1.53 3.38 -1.74 0.52 115.31 117.57 3n3s h LEU 136 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3n3s h LEU 136 Cb 0.66 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3n3s h LEU 136 CO 0.00 0.27 0.00 -0.55 0.09 0.00 0.00 178.44 178.25 3n3s h ASN 137 N 0.53 0.00 0.00 -0.43 7.08 -0.92 -2.74 115.58 119.09 3n3s h ASN 137 Ca 0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.59 3n3s h ASN 137 Cb 0.69 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.93 3n3s h ASN 137 CO -0.13 0.00 -0.04 -1.20 -2.08 0.00 0.00 177.43 173.98 3n3s n SER 138 N -2.66 1.73 -4.77 6.14 7.64 0.14 -4.65 113.62 117.20 3n3s n SER 138 Ca -0.01 -2.25 -0.39 0.00 1.01 0.00 0.00 58.87 57.23 3n3s n SER 138 Cb 0.11 -0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3n3s n SER 138 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3n3s s TRP 139 N -1.43 2.78 0.37 1.43 0.52 -0.96 -4.83 118.94 116.81 3n3s s TRP 139 Ca 0.11 1.45 0.07 0.00 0.02 0.00 0.00 56.10 57.75 3n3s s TRP 139 Cb 0.09 -3.58 0.79 0.00 -1.15 0.00 0.00 33.47 29.61 3n3s s TRP 139 CO 0.01 -1.97 1.95 -1.35 0.02 0.00 0.00 176.95 175.61 3n3s h PRO 140 N 2.33 0.69 0.00 4.98 0.11 -1.92 0.16 132.00 138.35 3n3s h PRO 140 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3n3s h PRO 140 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3n3s h PRO 140 CO 0.61 0.45 0.00 0.22 -0.21 0.00 0.00 178.00 179.08 3n3s h ASP 141 N 0.71 0.00 -0.64 -2.05 3.58 -1.77 -1.56 116.42 114.69 3n3s h ASP 141 Ca 0.33 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.63 3n3s h ASP 141 Cb 0.36 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.32 3n3s h ASP 141 CO -0.11 0.00 0.18 0.59 -2.88 0.00 0.00 179.24 177.01 3n3s n ASN 142 N -2.31 4.82 -4.77 2.28 3.02 0.55 -4.96 115.26 113.89 3n3s n ASN 142 Ca 0.02 -3.18 -0.39 0.00 -0.03 0.00 0.00 54.58 51.00 3n3s n ASN 142 Cb 0.24 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3n3s n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3s s ALA 143 N -2.95 3.16 0.00 5.41 0.00 -0.59 -1.59 121.76 125.20 3n3s s ALA 143 Ca 0.53 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.75 3n3s s ALA 143 Cb 0.43 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3n3s s ALA 143 CO 0.13 -0.94 0.00 0.09 0.00 0.00 0.00 175.76 175.03 3n3s n ASN 144 N -0.16 0.00 0.11 0.00 3.02 -1.26 -4.77 115.26 112.20 3n3s n ASN 144 Ca 0.05 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 3n3s n ASN 144 Cb 0.44 -1.71 0.45 0.00 -0.61 0.00 0.00 39.78 38.35 3n3s n ASN 144 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n3s n LEU 145 N 0.00 0.71 0.03 3.41 4.77 -0.62 -1.65 117.00 123.66 3n3s n LEU 145 Ca 0.00 0.62 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 3n3s n LEU 145 Cb 0.00 -0.45 0.47 0.00 -2.33 0.00 0.00 43.42 41.11 3n3s n LEU 145 CO 0.00 -0.36 1.15 -2.24 -1.33 0.00 0.00 177.39 174.61 3n3s h ASP 146 N 0.00 0.37 -0.34 -1.43 2.03 -1.86 -1.40 116.42 113.79 3n3s h ASP 146 Ca 0.00 -0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.20 3n3s h ASP 146 Cb 0.54 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 3n3s h ASP 146 CO 0.00 0.27 -0.15 0.11 -1.03 0.00 0.00 179.24 178.44 3n3s h LYS 147 N 0.44 0.70 -0.45 4.15 1.79 -1.70 -1.40 116.57 120.10 3n3s h LYS 147 Ca 0.14 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.33 3n3s h LYS 147 Cb 0.03 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 3n3s h LYS 147 CO -0.03 0.90 0.26 0.00 -1.08 0.00 0.00 179.45 179.50 3n3s h ALA 148 N 0.79 0.57 -0.49 3.86 0.00 -1.38 -1.47 119.26 121.13 3n3s h ALA 148 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3n3s h ALA 148 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3n3s h ALA 148 CO 0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 179.25 179.16 3n3s h ARG 149 N 0.53 0.88 -0.10 0.00 3.08 -1.25 -2.72 114.38 114.79 3n3s h ARG 149 Ca 0.18 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.83 3n3s h ARG 149 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3n3s h ARG 149 CO -0.08 0.93 -0.40 -0.09 -1.07 0.00 0.00 179.97 179.25 3n3s h ARG 150 N 0.79 0.23 -0.41 0.04 9.65 -0.75 -2.06 114.38 121.86 3n3s h ARG 150 Ca 0.13 -0.10 0.12 0.00 -1.10 0.00 0.00 59.98 59.03 3n3s h ARG 150 Cb 0.59 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 3n3s h ARG 150 CO 0.04 0.60 0.30 -0.07 2.80 0.00 0.00 179.97 183.64 3n3s h LEU 151 N 0.19 0.00 -0.07 3.80 3.38 -0.96 -2.31 115.31 119.34 3n3s h LEU 151 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3n3s h LEU 151 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3n3s h LEU 151 CO 0.06 0.00 -0.38 0.18 0.09 0.00 0.00 178.44 178.39 3n3s n LEU 152 N -4.35 0.49 -0.26 1.67 4.77 -0.78 -4.36 117.00 114.18 3n3s n LEU 152 Ca 0.07 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.12 3n3s n LEU 152 Cb 0.50 -0.27 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 3n3s n LEU 152 CO 0.36 0.11 1.06 -0.25 -1.33 0.00 0.00 177.39 177.34 3n3s h TRP 153 N 0.17 0.63 -0.92 -1.77 -0.00 -1.31 -0.02 115.95 112.73 3n3s h TRP 153 Ca 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.99 3n3s h TRP 153 Cb 0.49 -0.17 -0.07 0.00 -0.00 0.00 0.00 29.16 29.42 3n3s h TRP 153 CO 0.00 0.19 0.58 -1.35 -0.00 0.00 0.00 178.44 177.86 3n3s h PRO 154 N 0.57 1.02 -0.25 2.65 0.11 -1.79 0.14 132.00 134.45 3n3s h PRO 154 Ca 0.38 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.26 3n3s h PRO 154 Cb 0.47 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3n3s h PRO 154 CO -0.31 0.67 -0.51 0.82 -0.21 0.00 0.00 178.00 178.46 3n3s h ILE 155 N 1.05 1.29 -0.25 4.15 2.04 -1.71 -0.51 117.51 123.56 3n3s h ILE 155 Ca 0.41 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 3n3s h ILE 155 Cb 0.20 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 3n3s h ILE 155 CO -0.18 0.55 0.15 0.50 0.00 0.00 0.00 178.15 179.16 3n3s h LYS 156 N 0.53 0.34 -0.94 2.37 1.63 -0.46 -1.90 116.57 118.15 3n3s h LYS 156 Ca 0.01 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3n3s h LYS 156 Cb 1.12 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.63 3n3s h LYS 156 CO 0.11 0.28 0.62 0.37 -3.45 0.00 0.00 179.45 177.38 3n3s h GLN 157 N 0.31 1.22 -0.40 1.90 4.15 -0.67 0.36 115.11 121.98 3n3s h GLN 157 Ca 0.09 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 3n3s h GLN 157 Cb 0.03 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 3n3s h GLN 157 CO -0.02 0.80 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.44 3n3s h LYS 158 N 1.25 0.73 0.00 1.69 3.64 -0.57 -3.22 116.57 120.08 3n3s h LYS 158 Ca 0.35 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3n3s h LYS 158 Cb -0.12 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3n3s h LYS 158 CO -0.08 0.83 -0.93 0.66 -2.27 0.00 0.00 179.45 177.66 3n3s n TYR 159 N -4.41 0.17 -3.91 1.91 4.02 -0.76 -5.03 117.16 109.14 3n3s n TYR 159 Ca -0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3n3s n TYR 159 Cb 0.31 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.29 3n3s n TYR 159 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n3s n GLY 160 N 1.41 3.07 0.00 2.72 0.00 0.11 -2.62 105.19 109.87 3n3s n GLY 160 Ca 0.03 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.82 3n3s n GLY 160 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n3s n ARG 161 N 14.00 0.04 0.12 1.61 1.85 -1.26 -2.77 116.66 130.25 3n3s n ARG 161 Ca 0.00 0.21 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 3n3s n ARG 161 Cb 0.00 -1.50 0.45 0.00 -1.05 0.00 0.00 32.46 30.36 3n3s n ARG 161 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3n3s n ALA 162 N -1.47 2.00 -3.71 2.89 0.00 -1.08 -4.51 120.51 114.62 3n3s n ALA 162 Ca 0.05 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 3n3s n ALA 162 Cb 0.18 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 18.03 3n3s n ALA 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3n3s s ILE 163 N -3.21 0.46 0.61 0.00 2.07 -1.11 -3.84 121.20 116.19 3n3s s ILE 163 Ca 0.08 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.19 3n3s s ILE 163 Cb 0.11 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 3n3s s ILE 163 CO 0.50 0.24 1.03 -0.94 -1.91 0.00 0.00 174.94 173.87 3n3s s SER 164 N 1.47 5.99 0.32 4.50 1.04 -1.26 -4.77 113.70 120.98 3n3s s SER 164 Ca -0.02 1.58 0.01 0.00 0.48 0.00 0.00 55.95 57.99 3n3s s SER 164 Cb -0.13 -2.50 0.55 0.00 0.10 0.00 0.00 66.02 64.04 3n3s s SER 164 CO -0.03 -1.03 1.95 -0.50 0.98 0.00 0.00 173.24 174.61 3n3s h TRP 165 N -0.04 0.97 -0.62 5.02 4.06 -1.94 -0.33 115.95 123.07 3n3s h TRP 165 Ca -0.45 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.48 3n3s h TRP 165 Cb 1.20 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 29.01 3n3s h TRP 165 CO 0.63 0.56 0.20 0.00 -3.56 0.00 0.00 178.44 176.27 3n3s h ALA 166 N 1.53 0.81 -0.30 1.49 0.00 -1.87 -0.28 119.26 120.63 3n3s h ALA 166 Ca 0.33 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3n3s h ALA 166 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3n3s h ALA 166 CO -0.10 0.47 -0.43 -0.44 0.00 0.00 0.00 179.25 178.74 3n3s h ASP 167 N 0.88 0.83 -0.82 0.00 3.32 -1.64 -3.18 116.42 115.81 3n3s h ASP 167 Ca 0.20 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3n3s h ASP 167 Cb 0.27 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3n3s h ASP 167 CO -0.01 1.14 0.41 0.25 -1.72 0.00 0.00 179.24 179.32 3n3s h LEU 168 N 0.62 1.06 -0.70 1.55 5.85 -0.51 0.45 115.31 123.63 3n3s h LEU 168 Ca 0.04 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3n3s h LEU 168 Cb 1.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3n3s h LEU 168 CO 0.10 0.89 0.44 -0.07 -0.34 0.00 0.00 178.44 179.46 3n3s h LEU 169 N 1.16 0.74 -0.09 2.25 3.38 -1.04 0.62 115.31 122.33 3n3s h LEU 169 Ca 0.28 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 3n3s h LEU 169 Cb 0.09 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.69 3n3s h LEU 169 CO -0.04 0.51 -0.49 0.40 0.09 0.00 0.00 178.44 178.91 3n3s h ILE 170 N 0.88 1.38 -0.78 1.22 1.08 -1.54 -2.71 117.51 117.04 3n3s h ILE 170 Ca 0.28 -1.84 0.07 0.00 -0.39 0.00 0.00 64.86 62.98 3n3s h ILE 170 Cb 0.00 2.25 -0.05 0.00 -3.07 0.00 0.00 36.82 35.95 3n3s h ILE 170 CO -0.10 0.55 0.51 0.25 -0.69 0.00 0.00 178.15 178.67 3n3s h LEU 171 N 0.07 0.71 -0.47 1.44 5.85 -0.73 -1.28 115.31 120.89 3n3s h LEU 171 Ca -0.04 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3n3s h LEU 171 Cb 1.15 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3n3s h LEU 171 CO 0.10 0.45 -0.20 0.74 -0.34 0.00 0.00 178.44 179.20 3n3s h THR 172 N 0.81 1.27 -0.98 1.05 2.02 -0.79 -0.07 112.91 116.21 3n3s h THR 172 Ca 0.34 -1.36 0.02 0.00 0.77 0.00 0.00 66.41 66.18 3n3s h THR 172 Cb 0.28 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3n3s h THR 172 CO -0.12 0.47 0.65 1.23 0.37 0.00 0.00 175.52 178.12 3n3s h GLY 173 N 0.81 1.41 1.00 2.16 0.00 -1.02 -0.02 103.07 107.43 3n3s h GLY 173 Ca 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3n3s h GLY 173 CO 0.06 0.46 0.17 3.43 0.00 0.00 0.00 176.54 180.66 3n3s h ASN 174 N 1.28 0.86 -0.51 0.19 4.21 -0.72 -1.65 115.58 119.25 3n3s h ASN 174 Ca 0.38 -0.22 -0.08 0.00 1.21 0.00 0.00 56.30 57.59 3n3s h ASN 174 Cb -0.07 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 36.89 3n3s h ASN 174 CO -0.10 0.85 0.01 0.58 -1.29 0.00 0.00 177.43 177.47 3n3s h VAL 175 N 0.82 1.26 -0.06 2.81 2.07 -0.79 -0.19 116.25 122.19 3n3s h VAL 175 Ca 0.19 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.68 3n3s h VAL 175 Cb 0.30 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3n3s h VAL 175 CO -0.00 0.38 -0.28 0.00 0.02 0.00 0.00 177.57 177.68 3n3s h ALA 176 N 0.94 -0.36 -0.38 1.67 0.00 -0.80 0.19 119.26 120.53 3n3s h ALA 176 Ca 0.14 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3n3s h ALA 176 Cb 0.51 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3n3s h ALA 176 CO 0.02 -0.78 0.18 -0.07 0.00 0.00 0.00 179.25 178.61 3n3s h LEU 177 N -0.40 0.25 -0.74 0.00 3.38 -0.99 -2.61 115.31 114.21 3n3s h LEU 177 Ca 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3n3s h LEU 177 Cb 0.51 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3n3s h LEU 177 CO -0.28 0.19 0.26 -0.33 0.09 0.00 0.00 178.44 178.37 3n3s h GLU 178 N 0.37 1.13 0.00 1.13 5.08 -0.64 -1.09 114.58 120.56 3n3s h GLU 178 Ca 0.16 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3n3s h GLU 178 Cb 0.09 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3n3s h GLU 178 CO -0.13 0.94 -0.05 0.66 -1.00 0.00 0.00 179.01 179.44 3n3s h SER 179 N 1.08 0.00 -0.51 1.42 4.64 -0.49 -1.88 113.55 117.81 3n3s h SER 179 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3n3s h SER 179 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3n3s h SER 179 CO -0.01 0.05 0.00 0.23 -0.87 0.00 0.00 176.83 176.23 3n3s n MET 180 N -3.32 3.30 -0.22 4.77 2.81 -0.73 -4.94 117.12 118.79 3n3s n MET 180 Ca -0.01 -2.65 0.00 0.00 -1.81 0.00 0.00 57.70 53.22 3n3s n MET 180 Cb 0.21 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 3n3s n MET 180 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3s n GLY 181 N 0.71 0.88 3.54 3.03 0.00 -0.70 -0.07 105.19 112.57 3n3s n GLY 181 Ca 0.21 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3n3s n GLY 181 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n3s s PHE 182 N -2.00 3.09 -0.31 1.61 5.36 -0.49 -4.81 117.98 120.44 3n3s s PHE 182 Ca 0.00 -0.18 -0.23 0.00 -0.96 0.00 0.00 56.93 55.55 3n3s s PHE 182 Cb 0.00 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 3n3s s PHE 182 CO 0.00 0.03 0.79 0.21 -1.46 0.00 0.00 175.22 174.79 3n3s s LYS 183 N 0.35 3.96 0.65 10.12 2.20 -1.26 -3.61 119.74 132.15 3n3s s LYS 183 Ca -0.02 0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 56.08 3n3s s LYS 183 Cb -0.14 -3.73 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3n3s s LYS 183 CO 0.02 -0.68 1.00 0.95 -0.36 0.00 0.00 175.35 176.28 3n3s s THR 184 N 2.96 3.46 -0.85 3.43 -4.23 -1.26 -4.82 115.64 114.33 3n3s s THR 184 Ca 0.32 0.20 0.27 0.00 -1.18 0.00 0.00 61.69 61.31 3n3s s THR 184 Cb -0.14 -3.43 0.25 0.00 1.34 0.00 0.00 72.50 70.52 3n3s s THR 184 CO 0.13 -0.50 1.81 0.33 -0.54 0.00 0.00 174.62 175.85 3n3s n PHE 185 N -2.81 0.49 0.00 3.99 7.35 -1.26 -5.02 117.46 120.20 3n3s n PHE 185 Ca 0.06 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3n3s n PHE 185 Cb 0.58 -0.72 0.00 0.00 0.35 0.00 0.00 39.48 39.69 3n3s n PHE 185 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3n3s n GLY 186 N 1.40 0.86 3.59 7.13 0.00 -1.26 -4.52 105.19 112.39 3n3s n GLY 186 Ca 0.06 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 3n3s n GLY 186 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n3s s PHE 187 N -1.53 -0.64 -0.02 1.61 5.36 -0.32 -4.93 117.98 117.51 3n3s s PHE 187 Ca 0.00 1.39 0.05 0.00 -0.96 0.00 0.00 56.93 57.41 3n3s s PHE 187 Cb 0.00 0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 43.02 3n3s s PHE 187 CO 0.00 -0.41 -0.17 0.00 -1.46 0.00 0.00 175.22 173.18 3n3s s ALA 188 N -0.28 1.45 0.68 11.12 0.00 -1.26 -2.51 121.76 130.96 3n3s s ALA 188 Ca -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3n3s s ALA 188 Cb -0.03 -0.39 0.13 0.00 0.00 0.00 0.00 23.12 22.82 3n3s s ALA 188 CO 0.02 0.34 0.89 0.41 0.00 0.00 0.00 175.76 177.42 3n3s n GLY 189 N 2.75 0.89 0.00 0.00 0.00 -0.15 -4.79 105.19 103.90 3n3s n GLY 189 Ca -0.15 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.81 3n3s n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 190 N -2.00 0.36 3.54 -0.02 0.00 -1.26 -1.14 105.19 104.66 3n3s n GLY 190 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3n3s n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3s s ARG 191 N 0.00 3.21 0.38 1.61 0.52 -1.26 -4.93 118.95 118.47 3n3s s ARG 191 Ca 0.00 -0.35 -0.26 0.00 -0.52 0.00 0.00 55.73 54.59 3n3s s ARG 191 Cb 0.00 -4.26 -0.09 0.00 0.52 0.00 0.00 34.95 31.12 3n3s s ARG 191 CO 0.00 -2.13 1.20 0.00 0.02 0.00 0.00 175.30 174.40 3n3s s ALA 192 N 5.54 3.25 0.59 2.13 0.00 -1.26 -4.13 121.76 127.88 3n3s s ALA 192 Ca 0.35 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 53.17 3n3s s ALA 192 Cb -0.08 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3n3s s ALA 192 CO 0.13 -0.55 1.17 -0.51 0.00 0.00 0.00 175.76 176.00 3n3s s ASP 193 N -0.94 5.31 0.45 0.00 1.01 -1.26 -4.66 116.67 116.58 3n3s s ASP 193 Ca 0.54 2.28 0.07 0.00 0.71 0.00 0.00 52.55 56.15 3n3s s ASP 193 Cb -0.33 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 40.99 3n3s s ASP 193 CO 0.43 -1.50 0.29 0.42 0.21 0.00 0.00 175.17 175.01 3n3s s THR 194 N -1.74 2.22 0.00 -1.27 -4.23 -1.24 -5.08 115.64 104.30 3n3s s THR 194 Ca 0.75 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3n3s s THR 194 Cb -0.27 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.80 3n3s s THR 194 CO 0.32 0.00 0.56 0.79 -0.54 0.00 0.00 174.62 175.75 3n3s n TRP 195 N -1.46 0.00 -3.76 3.99 7.02 -1.26 -5.05 117.44 116.92 3n3s n TRP 195 Ca -0.00 -0.14 -0.10 0.00 -1.02 0.00 0.00 57.50 56.23 3n3s n TRP 195 Cb 0.64 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.45 3n3s n TRP 195 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3n3s s GLU 196 N -0.29 0.91 0.38 -0.99 -1.05 -1.26 -5.01 118.70 111.39 3n3s s GLU 196 Ca 0.00 -0.79 -0.27 0.00 -0.15 0.00 0.00 54.97 53.76 3n3s s GLU 196 Cb 0.00 0.39 -0.11 0.00 -0.44 0.00 0.00 34.13 33.96 3n3s s GLU 196 CO 0.00 -0.31 1.31 -2.30 0.95 0.00 0.00 175.26 174.90 3n3s n PRO 197 N 0.00 2.12 -1.83 -4.83 -0.02 -1.26 -4.99 135.00 124.18 3n3s n PRO 197 Ca -0.16 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 3n3s n PRO 197 Cb 0.62 -2.39 0.08 0.00 -0.02 0.00 0.00 33.50 31.79 3n3s n PRO 197 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n3s s ALA 198 N -1.14 2.59 -0.73 3.55 0.00 -1.26 -5.00 121.76 119.77 3n3s s ALA 198 Ca 0.57 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 3n3s s ALA 198 Cb -0.53 -2.99 0.19 0.00 0.00 0.00 0.00 23.12 19.78 3n3s s ALA 198 CO 0.61 -1.61 0.62 -0.51 0.00 0.00 0.00 175.76 174.87 3n3s s ASP 199 N -4.42 6.11 -0.05 0.00 1.01 -1.26 -4.98 116.67 113.08 3n3s s ASP 199 Ca 0.61 -2.70 0.04 0.00 0.71 0.00 0.00 52.55 51.21 3n3s s ASP 199 Cb -0.12 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3n3s s ASP 199 CO 0.51 -0.51 -0.16 -0.69 0.21 0.00 0.00 175.17 174.53 3n3s s VAL 200 N 0.16 2.93 -0.39 -1.27 1.01 -1.26 -5.09 120.40 116.49 3n3s s VAL 200 Ca 0.17 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3n3s s VAL 200 Cb -0.15 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3n3s s VAL 200 CO -0.06 0.58 1.25 -0.47 0.00 0.00 0.00 175.10 176.40 3n3s s TYR 201 N -0.61 2.71 -1.76 5.22 5.04 -1.26 -4.87 117.35 121.83 3n3s s TYR 201 Ca 0.09 0.81 0.17 0.00 -2.44 0.00 0.00 57.07 55.70 3n3s s TYR 201 Cb -0.11 -4.16 0.35 0.00 0.35 0.00 0.00 41.96 38.39 3n3s s TYR 201 CO 0.01 -1.51 1.27 0.91 -1.34 0.00 0.00 175.55 174.88 3n3s n TRP 202 N 7.92 0.44 0.00 4.97 7.02 -1.26 -4.92 117.44 131.61 3n3s n TRP 202 Ca 0.14 -0.30 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 3n3s n TRP 202 Cb 0.48 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 3n3s n TRP 202 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3n3s n GLY 203 N 1.06 2.77 0.27 6.99 0.00 -1.26 -4.87 105.19 110.15 3n3s n GLY 203 Ca 0.15 -2.02 0.07 0.00 0.00 0.00 0.00 46.02 44.22 3n3s n GLY 203 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3n3s n SER 204 N 0.00 1.36 -4.75 1.61 7.64 -1.26 -5.02 113.62 113.20 3n3s n SER 204 Ca 0.00 -1.18 -0.38 0.00 1.01 0.00 0.00 58.87 58.32 3n3s n SER 204 Cb 0.00 0.56 0.04 0.00 -1.01 0.00 0.00 64.21 63.79 3n3s n SER 204 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3n3s s GLU 205 N -1.83 3.12 0.00 1.43 8.01 -1.26 -4.88 118.70 123.29 3n3s s GLU 205 Ca 0.11 2.10 0.13 0.00 0.01 0.00 0.00 54.97 57.32 3n3s s GLU 205 Cb 0.11 -2.18 0.24 0.00 -4.31 0.00 0.00 34.13 27.99 3n3s s GLU 205 CO 0.39 -1.16 1.12 1.63 0.01 0.00 0.00 175.26 177.25 3n3s n LYS 206 N -1.14 1.91 -4.89 1.61 4.76 -1.26 -4.92 118.16 114.22 3n3s n LYS 206 Ca 0.11 -1.75 -0.28 0.00 -2.87 0.00 0.00 58.31 53.52 3n3s n LYS 206 Cb 0.46 -1.29 -0.17 0.00 -1.84 0.00 0.00 35.03 32.20 3n3s n LYS 206 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3n3s s ILE 207 N -1.04 1.57 0.34 -0.18 1.01 -1.26 -5.12 121.20 116.52 3n3s s ILE 207 Ca 0.22 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 3n3s s ILE 207 Cb 0.13 -1.38 -0.11 0.00 0.01 0.00 0.00 42.46 41.10 3n3s s ILE 207 CO 0.18 0.45 1.55 0.79 0.00 0.00 0.00 174.94 177.91 3n3s n TRP 208 N 3.59 2.98 -1.54 3.97 7.02 -1.26 -2.38 117.44 129.82 3n3s n TRP 208 Ca -0.21 0.35 -0.19 0.00 -1.02 0.00 0.00 57.50 56.44 3n3s n TRP 208 Cb 0.52 -2.57 -0.08 0.00 -2.42 0.00 0.00 31.31 26.76 3n3s n TRP 208 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3n3s n LEU 209 N 1.21 -1.33 -4.64 -0.99 4.77 0.46 -4.91 117.00 111.58 3n3s n LEU 209 Ca 0.04 0.46 -0.50 0.00 -0.03 0.00 0.00 56.01 55.98 3n3s n LEU 209 Cb 0.38 -2.65 -0.05 0.00 -2.33 0.00 0.00 43.42 38.77 3n3s n LEU 209 CO 0.64 -1.00 1.09 1.21 -1.33 0.00 0.00 177.39 178.01 3n3s n GLU 210 N -2.38 1.56 -1.61 3.23 2.13 -1.00 -4.81 120.64 117.76 3n3s n GLU 210 Ca -0.19 0.57 -0.34 0.00 0.66 0.00 0.00 57.16 57.86 3n3s n GLU 210 Cb 0.62 -2.27 0.07 0.00 0.27 0.00 0.00 31.44 30.13 3n3s n GLU 210 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3n3s s LEU 211 N 1.24 3.37 0.81 4.31 1.43 -1.26 -4.57 118.68 124.01 3n3s s LEU 211 Ca 0.85 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 56.01 3n3s s LEU 211 Cb -0.85 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 40.88 3n3s s LEU 211 CO 0.46 -1.94 1.18 -0.94 0.23 0.00 0.00 176.35 175.34 3n3s s SER 212 N -2.26 3.65 0.00 2.29 1.04 -1.26 -3.99 113.70 113.17 3n3s s SER 212 Ca 0.71 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.40 3n3s s SER 212 Cb -0.25 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.29 3n3s s SER 212 CO 0.43 -2.62 0.00 0.61 0.98 0.00 0.00 173.24 172.63 3n3s n GLY 213 N 0.22 0.95 1.00 7.32 0.00 -1.26 -5.07 105.19 108.35 3n3s n GLY 213 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 3n3s n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 214 N -1.94 -0.04 0.30 -0.02 0.00 -1.26 -4.89 105.19 97.34 3n3s n GLY 214 Ca 0.00 -1.86 0.18 0.00 0.00 0.00 0.00 46.02 44.35 3n3s n GLY 214 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n3s h PRO 215 N 0.00 0.00 -0.41 1.61 0.13 -1.98 -2.09 132.00 129.27 3n3s h PRO 215 Ca -0.10 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.75 3n3s h PRO 215 Cb 0.31 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.24 3n3s h PRO 215 CO 0.09 0.03 -0.47 0.09 -0.23 0.00 0.00 178.00 177.51 3n3s n ASN 216 N -3.22 3.39 -4.67 1.44 3.02 -1.26 -5.07 115.26 108.89 3n3s n ASN 216 Ca -0.01 -3.82 -0.45 0.00 -0.03 0.00 0.00 54.58 50.26 3n3s n ASN 216 Cb 0.19 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 3n3s n ASN 216 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3n3s n SER 217 N -0.96 2.78 -0.61 6.41 2.88 -0.79 -4.17 113.62 119.17 3n3s n SER 217 Ca 0.34 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 59.08 3n3s n SER 217 Cb 0.86 -1.42 0.27 0.00 -0.75 0.00 0.00 64.21 63.18 3n3s n SER 217 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3n3s n ARG 218 N 2.41 1.78 -4.31 -1.46 1.85 -1.26 -4.86 116.66 110.81 3n3s n ARG 218 Ca 0.13 -1.19 -0.28 0.00 -1.00 0.00 0.00 57.85 55.51 3n3s n ARG 218 Cb 0.30 -1.34 -0.11 0.00 -1.05 0.00 0.00 32.46 30.26 3n3s n ARG 218 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3n3s s TYR 219 N -1.66 2.54 0.24 2.89 1.51 -1.26 -1.13 117.35 120.47 3n3s s TYR 219 Ca 0.28 -0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 55.97 3n3s s TYR 219 Cb 0.15 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 3n3s s TYR 219 CO 0.22 0.43 0.43 -1.54 -1.11 0.00 0.00 175.55 173.98 3n3s s SER 220 N -2.38 -0.06 0.90 2.29 1.04 -0.54 -4.84 113.70 110.10 3n3s s SER 220 Ca 0.20 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3n3s s SER 220 Cb -0.10 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3n3s s SER 220 CO 0.11 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.85 3n3s n GLY 221 N -0.36 2.20 3.38 7.32 0.00 -1.26 -0.83 105.19 115.64 3n3s n GLY 221 Ca -0.02 -0.49 -0.45 0.00 0.00 0.00 0.00 46.02 45.07 3n3s n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n3s s ASP 222 N -4.00 7.05 -1.44 1.61 2.15 -1.26 -4.57 116.67 116.20 3n3s s ASP 222 Ca 0.00 -3.04 -0.02 0.00 0.43 0.00 0.00 52.55 49.92 3n3s s ASP 222 Cb 0.00 -2.28 0.01 0.00 -0.30 0.00 0.00 42.92 40.35 3n3s s ASP 222 CO 0.00 -0.56 0.42 -1.14 -0.17 0.00 0.00 175.17 173.72 3n3s n ARG 223 N 4.20 -3.14 -3.28 4.34 0.63 -1.22 -4.94 116.66 113.25 3n3s n ARG 223 Ca 0.25 0.38 -0.39 0.00 -0.92 0.00 0.00 57.85 57.16 3n3s n ARG 223 Cb 0.43 -4.52 -0.07 0.00 0.45 0.00 0.00 32.46 28.75 3n3s n ARG 223 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3n3s s GLN 224 N -6.64 4.12 -0.05 -0.14 -1.52 -0.01 -4.92 119.66 110.50 3n3s s GLN 224 Ca 0.07 0.31 -0.23 0.00 -1.95 0.00 0.00 55.36 53.56 3n3s s GLN 224 Cb -0.04 -3.60 -0.04 0.00 -0.22 0.00 0.00 33.01 29.11 3n3s s GLN 224 CO 0.90 -0.23 0.67 -1.17 -0.25 0.00 0.00 175.29 175.21 3n3s s LEU 225 N 1.91 4.35 0.21 2.90 2.96 -1.26 -1.47 118.68 128.28 3n3s s LEU 225 Ca 0.21 1.18 -0.30 0.00 -0.22 0.00 0.00 54.13 55.00 3n3s s LEU 225 Cb -0.15 -3.03 -0.09 0.00 0.50 0.00 0.00 46.19 43.41 3n3s s LEU 225 CO 0.09 -0.05 1.42 -1.83 -1.32 0.00 0.00 176.35 174.66 3n3s s GLU 226 N 0.50 4.30 0.44 1.98 -1.05 -0.29 -4.91 118.70 119.68 3n3s s GLU 226 Ca 0.35 2.22 -0.24 0.00 -0.15 0.00 0.00 54.97 57.15 3n3s s GLU 226 Cb -0.18 -3.15 -0.08 0.00 -0.44 0.00 0.00 34.13 30.28 3n3s s GLU 226 CO 0.18 -0.40 1.22 -0.80 0.95 0.00 0.00 175.26 176.41 3n3s s ASN 227 N 0.52 6.20 -0.27 0.83 0.02 -1.26 -1.16 114.94 119.82 3n3s s ASN 227 Ca 0.60 2.46 0.09 0.00 -1.02 0.00 0.00 52.86 55.00 3n3s s ASN 227 Cb -0.40 -2.62 0.69 0.00 0.02 0.00 0.00 41.25 38.94 3n3s s ASN 227 CO 0.39 -0.91 1.68 -0.81 0.02 0.00 0.00 177.10 177.47 3n3s n PRO 228 N -0.24 3.71 -2.43 -0.60 -0.04 -1.26 -5.13 135.00 129.01 3n3s n PRO 228 Ca 0.06 -2.76 -0.32 0.00 -0.04 0.00 0.00 63.50 60.43 3n3s n PRO 228 Cb 0.46 -2.14 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 3n3s n PRO 228 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3n3s s LEU 229 N -2.61 3.66 0.00 1.53 1.43 -0.31 -4.71 118.68 117.67 3n3s s LEU 229 Ca 0.49 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 55.24 3n3s s LEU 229 Cb 0.39 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 42.17 3n3s s LEU 229 CO 0.13 -0.60 0.96 0.00 0.23 0.00 0.00 176.35 177.07 3n3s n ALA 230 N -1.48 2.12 -2.54 4.21 0.00 -1.26 -4.83 120.51 116.73 3n3s n ALA 230 Ca 0.07 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.29 3n3s n ALA 230 Cb 0.54 -0.47 -0.11 0.00 0.00 0.00 0.00 19.45 19.41 3n3s n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3s s ALA 231 N 0.00 0.86 -0.43 0.00 0.00 -1.26 -4.64 121.76 116.28 3n3s s ALA 231 Ca 0.06 -1.07 0.23 0.00 0.00 0.00 0.00 51.96 51.18 3n3s s ALA 231 Cb 0.07 0.07 0.26 0.00 0.00 0.00 0.00 23.12 23.52 3n3s s ALA 231 CO -0.03 -0.09 1.35 -0.39 0.00 0.00 0.00 175.76 176.61 3n3s h VAL 232 N 3.76 0.00 -3.39 0.00 -1.51 -1.31 -3.46 116.25 110.34 3n3s h VAL 232 Ca -0.36 -0.84 -0.12 0.00 -1.23 0.00 0.00 66.70 64.15 3n3s h VAL 232 Cb 1.19 1.57 -0.19 0.00 -2.13 0.00 0.00 31.29 31.73 3n3s h VAL 232 CO 0.51 0.00 -0.37 -1.10 -1.23 0.00 0.00 177.57 175.39 3n3s s GLN 233 N -3.25 0.66 -0.11 5.19 -0.21 -1.26 -4.78 119.66 115.90 3n3s s GLN 233 Ca 0.04 -0.47 -0.29 0.00 0.02 0.00 0.00 55.36 54.66 3n3s s GLN 233 Cb 0.09 0.28 -0.05 0.00 1.00 0.00 0.00 33.01 34.33 3n3s s GLN 233 CO 0.72 -0.19 1.73 1.41 -2.12 0.00 0.00 175.29 176.84 3n3s s MET 234 N -2.04 3.96 0.00 2.91 -2.45 -1.26 -1.88 119.30 118.54 3n3s s MET 234 Ca -0.09 2.05 0.00 0.00 -1.25 0.00 0.00 55.69 56.40 3n3s s MET 234 Cb -0.03 -4.06 0.00 0.00 1.25 0.00 0.00 34.83 31.99 3n3s s MET 234 CO -0.01 -1.11 0.00 0.41 1.05 0.00 0.00 175.02 175.36 3n3s n GLY 235 N 4.49 0.44 3.94 2.11 0.00 -1.26 -0.40 105.19 114.51 3n3s n GLY 235 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3n3s n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 236 N 0.00 4.26 -0.10 0.99 1.43 -0.79 -2.09 118.68 122.39 3n3s s LEU 236 Ca 0.00 0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.20 3n3s s LEU 236 Cb 0.00 -3.06 -0.17 0.00 0.03 0.00 0.00 46.19 42.99 3n3s s LEU 236 CO 0.00 -0.02 0.67 0.40 0.23 0.00 0.00 176.35 177.64 3n3s h ILE 237 N 1.53 1.10 0.00 -0.59 1.08 -1.91 -3.45 117.51 115.26 3n3s h ILE 237 Ca -0.48 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 3n3s h ILE 237 Cb 1.20 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 3n3s h ILE 237 CO 0.68 0.34 0.00 -1.22 -0.69 0.00 0.00 178.15 177.26 3n3s n TYR 238 N -4.76 0.00 -4.51 1.37 0.53 -1.26 -4.50 117.16 104.03 3n3s n TYR 238 Ca -0.07 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.57 3n3s n TYR 238 Cb 0.30 0.18 -0.09 0.00 -1.03 0.00 0.00 39.34 38.69 3n3s n TYR 238 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 3n3s s VAL 239 N -0.75 1.03 -0.15 -0.72 -7.23 -1.26 -0.85 120.40 110.46 3n3s s VAL 239 Ca 0.00 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.92 3n3s s VAL 239 Cb 0.00 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 3n3s s VAL 239 CO 0.00 0.00 0.80 0.21 -0.31 0.00 0.00 175.10 175.80 3n3s s ASN 240 N -3.58 6.95 0.28 4.85 3.84 -1.26 -4.95 114.94 121.07 3n3s s ASN 240 Ca 0.29 1.16 0.24 0.00 0.21 0.00 0.00 52.86 54.77 3n3s s ASN 240 Cb 0.06 -2.44 1.00 0.00 -0.55 0.00 0.00 41.25 39.32 3n3s s ASN 240 CO 0.14 -0.35 1.73 1.55 -2.79 0.00 0.00 177.10 177.38 3n3s h PRO 241 N 7.26 0.00 0.00 0.43 0.13 -1.99 -1.61 132.00 136.21 3n3s h PRO 241 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3n3s h PRO 241 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3n3s h PRO 241 CO 0.82 0.00 -0.35 0.93 -0.23 0.00 0.00 178.00 179.17 3n3s h GLU 242 N 0.00 0.00 0.00 0.86 5.08 -1.92 -3.14 114.58 115.46 3n3s h GLU 242 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n3s h GLU 242 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3n3s h GLU 242 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3n3s n GLY 243 N 1.15 2.97 3.67 -3.84 0.00 -0.61 -3.28 105.19 105.26 3n3s n GLY 243 Ca 0.03 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 3n3s n GLY 243 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n3s n PRO 244 N -1.39 2.80 -2.97 1.61 -0.02 -1.22 -0.37 135.00 133.45 3n3s n PRO 244 Ca 0.00 1.02 -0.19 0.00 -2.02 0.00 0.00 63.50 62.32 3n3s n PRO 244 Cb 0.00 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 30.52 3n3s n PRO 244 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3n3s n ASP 245 N 7.01 -4.08 0.00 2.55 8.00 -1.26 -1.05 116.55 127.72 3n3s n ASP 245 Ca 0.20 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3n3s n ASP 245 Cb 0.39 -3.39 0.00 0.00 -0.02 0.00 0.00 41.12 38.10 3n3s n ASP 245 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n3s n GLY 246 N -1.08 0.77 3.57 0.44 0.00 0.50 -5.03 105.19 104.37 3n3s n GLY 246 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3n3s n GLY 246 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3n3s s ASN 247 N -2.80 6.37 -1.45 1.61 3.04 -0.21 -4.71 114.94 116.77 3n3s s ASN 247 Ca 0.00 0.10 -0.13 0.00 0.04 0.00 0.00 52.86 52.87 3n3s s ASN 247 Cb 0.00 -2.29 -0.01 0.00 -1.54 0.00 0.00 41.25 37.41 3n3s s ASN 247 CO 0.00 -0.49 2.43 -0.81 -3.04 0.00 0.00 177.10 175.19 3n3s n PRO 248 N 5.80 3.00 -3.90 0.43 -0.04 -1.20 -3.37 135.00 135.73 3n3s n PRO 248 Ca -0.04 -2.40 -0.35 0.00 -0.04 0.00 0.00 63.50 60.68 3n3s n PRO 248 Cb 0.49 -3.09 -0.13 0.00 -0.04 0.00 0.00 33.50 30.72 3n3s n PRO 248 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3n3s s ASP 249 N 3.00 4.94 0.47 3.54 -1.08 -1.26 -5.00 116.67 121.29 3n3s s ASP 249 Ca 0.54 -1.56 0.15 0.00 -0.52 0.00 0.00 52.55 51.16 3n3s s ASP 249 Cb 0.15 -1.72 1.13 0.00 -1.46 0.00 0.00 42.92 41.01 3n3s s ASP 249 CO -0.07 -0.34 2.06 -0.65 0.52 0.00 0.00 175.17 176.69 3n3s h PRO 250 N 7.96 0.24 -0.32 4.34 0.11 -1.88 0.13 132.00 142.57 3n3s h PRO 250 Ca -0.17 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.86 3n3s h PRO 250 Cb 1.05 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3n3s h PRO 250 CO 0.57 0.16 -0.05 0.28 -0.21 0.00 0.00 178.00 178.74 3n3s h VAL 251 N 0.24 1.27 -0.16 3.15 2.07 -1.91 -1.35 116.25 119.57 3n3s h VAL 251 Ca 0.15 -1.08 -0.14 0.00 0.82 0.00 0.00 66.70 66.46 3n3s h VAL 251 Cb 0.29 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3n3s h VAL 251 CO -0.03 0.35 -0.49 0.00 0.02 0.00 0.00 177.57 177.42 3n3s h ALA 252 N 0.82 0.87 -0.89 1.67 0.00 -1.84 -2.78 119.26 117.10 3n3s h ALA 252 Ca 0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3n3s h ALA 252 Cb 0.53 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3n3s h ALA 252 CO 0.03 0.66 0.50 0.00 0.00 0.00 0.00 179.25 180.44 3n3s h ALA 253 N 1.15 1.20 -0.02 0.00 0.00 -0.64 -1.98 119.26 118.96 3n3s h ALA 253 Ca 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3n3s h ALA 253 Cb 0.98 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3n3s h ALA 253 CO 0.09 0.65 0.01 0.00 0.00 0.00 0.00 179.25 180.00 3n3s h ALA 254 N 1.30 2.00 -0.45 0.00 0.00 -0.95 -0.79 119.26 120.37 3n3s h ALA 254 Ca 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3n3s h ALA 254 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3n3s h ALA 254 CO -0.05 -0.02 0.14 -0.09 0.00 0.00 0.00 179.25 179.23 3n3s h ARG 255 N 0.00 0.70 -0.66 0.00 2.43 -1.33 -0.32 114.38 115.20 3n3s h ARG 255 Ca 0.01 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3n3s h ARG 255 Cb 0.04 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3n3s h ARG 255 CO -0.00 0.67 0.19 -0.44 -1.51 0.00 0.00 179.97 178.88 3n3s h ASP 256 N 0.59 0.95 -0.22 -3.80 5.19 -1.31 -1.91 116.42 115.91 3n3s h ASP 256 Ca 0.15 -0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 3n3s h ASP 256 Cb 0.26 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3n3s h ASP 256 CO -0.01 0.89 0.04 0.40 -3.12 0.00 0.00 179.24 177.45 3n3s h ILE 257 N 0.98 1.22 -0.60 0.35 2.04 -0.90 -1.29 117.51 119.30 3n3s h ILE 257 Ca 0.21 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3n3s h ILE 257 Cb 0.30 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3n3s h ILE 257 CO -0.01 0.22 0.26 -0.09 0.00 0.00 0.00 178.15 178.53 3n3s h ARG 258 N 0.17 0.88 -0.13 2.37 2.43 -1.00 -0.28 114.38 118.83 3n3s h ARG 258 Ca 0.07 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3n3s h ARG 258 Cb 0.30 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3n3s h ARG 258 CO 0.00 0.74 0.01 0.22 -1.51 0.00 0.00 179.97 179.43 3n3s h ASP 259 N 0.83 0.22 -0.21 -3.80 3.58 -1.23 -1.44 116.42 114.37 3n3s h ASP 259 Ca 0.20 -0.29 -0.17 0.00 0.42 0.00 0.00 57.03 57.18 3n3s h ASP 259 Cb 0.17 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3n3s h ASP 259 CO -0.02 0.46 -0.55 0.71 -2.88 0.00 0.00 179.24 176.95 3n3s h THR 260 N -0.03 1.30 -0.36 2.25 1.35 -1.13 -2.05 112.91 114.25 3n3s h THR 260 Ca 0.04 -1.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.08 3n3s h THR 260 Cb 0.34 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 3n3s h THR 260 CO 0.01 0.56 0.01 -0.26 -0.25 0.00 0.00 175.52 175.59 3n3s h PHE 261 N 0.46 0.57 -0.15 4.73 -1.00 -1.11 -1.60 116.94 118.84 3n3s h PHE 261 Ca -0.01 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 60.65 3n3s h PHE 261 Cb 1.17 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 3n3s h PHE 261 CO 0.09 0.55 -0.20 0.00 -1.61 0.00 0.00 178.31 177.14 3n3s h ALA 262 N 1.49 1.39 0.00 2.45 0.00 -0.99 0.80 119.26 124.39 3n3s h ALA 262 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3n3s h ALA 262 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3n3s h ALA 262 CO 0.01 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.22 3n3s n ARG 263 N -4.21 0.13 -0.49 0.00 1.74 -0.72 -1.96 116.66 111.16 3n3s n ARG 263 Ca -0.01 0.13 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 3n3s n ARG 263 Cb 0.32 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.53 3n3s n ARG 263 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3n3s n MET 264 N -1.40 3.03 -1.08 5.56 2.81 0.11 -0.71 117.12 125.43 3n3s n MET 264 Ca 0.07 -2.88 -0.03 0.00 -1.81 0.00 0.00 57.70 53.06 3n3s n MET 264 Cb 0.20 -1.88 -0.01 0.00 -0.71 0.00 0.00 33.22 30.82 3n3s n MET 264 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3n3s n ALA 265 N -0.46 -0.04 -2.74 3.04 0.00 -0.83 -4.87 120.51 114.62 3n3s n ALA 265 Ca 0.22 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 3n3s n ALA 265 Cb 0.92 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 3n3s n ALA 265 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3n3s s MET 266 N -2.08 2.90 0.43 0.00 -1.94 -0.23 -5.00 119.30 113.37 3n3s s MET 266 Ca 0.00 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 3n3s s MET 266 Cb 0.00 -2.49 0.08 0.00 2.01 0.00 0.00 34.83 34.44 3n3s s MET 266 CO 0.00 0.44 0.59 0.27 -0.01 0.00 0.00 175.02 176.31 3n3s n ASN 267 N 2.85 0.83 -0.16 3.03 0.23 -1.26 -3.17 115.26 117.61 3n3s n ASN 267 Ca -0.18 -1.69 -0.09 0.00 -0.53 0.00 0.00 54.58 52.09 3n3s n ASN 267 Cb 0.52 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3n3s n ASN 267 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3n3s h ASP 268 N -0.33 0.64 -0.60 0.53 5.19 -1.99 -1.19 116.42 118.66 3n3s h ASP 268 Ca -0.20 -0.19 -0.08 0.00 -0.62 0.00 0.00 57.03 55.94 3n3s h ASP 268 Cb 0.73 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 3n3s h ASP 268 CO 0.21 0.66 0.08 -0.08 -3.12 0.00 0.00 179.24 176.99 3n3s h GLU 269 N 0.59 1.04 -0.47 3.56 4.81 -1.97 -1.55 114.58 120.58 3n3s h GLU 269 Ca 0.15 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3n3s h GLU 269 Cb 0.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3n3s h GLU 269 CO -0.01 0.97 0.31 0.93 -0.73 0.00 0.00 179.01 180.48 3n3s h GLU 270 N 0.97 0.62 -0.43 1.92 5.08 -1.90 -1.08 114.58 119.76 3n3s h GLU 270 Ca 0.19 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3n3s h GLU 270 Cb 0.45 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3n3s h GLU 270 CO 0.02 0.42 0.17 1.15 -1.00 0.00 0.00 179.01 179.76 3n3s h THR 271 N 0.64 1.20 -0.41 1.13 2.02 -0.94 0.52 112.91 117.07 3n3s h THR 271 Ca 0.17 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 3n3s h THR 271 Cb -0.07 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 3n3s h THR 271 CO -0.04 0.23 0.06 0.58 0.37 0.00 0.00 175.52 176.72 3n3s h VAL 272 N 0.54 1.25 -0.64 3.16 2.07 -1.20 -0.87 116.25 120.56 3n3s h VAL 272 Ca 0.14 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3n3s h VAL 272 Cb 0.20 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3n3s h VAL 272 CO -0.01 0.31 0.37 0.00 0.02 0.00 0.00 177.57 178.26 3n3s h ALA 273 N 0.92 0.82 -0.14 1.67 0.00 -1.03 -1.60 119.26 119.90 3n3s h ALA 273 Ca 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3n3s h ALA 273 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3n3s h ALA 273 CO 0.01 0.31 -0.05 -0.07 0.00 0.00 0.00 179.25 179.45 3n3s h LEU 274 N 0.87 0.29 -0.05 0.00 3.38 -0.55 0.43 115.31 119.68 3n3s h LEU 274 Ca 0.23 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3n3s h LEU 274 Cb 0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3n3s h LEU 274 CO -0.04 0.62 0.01 0.40 0.09 0.00 0.00 178.44 179.52 3n3s h ILE 275 N -0.04 1.22 -0.08 1.22 2.04 -1.06 0.14 117.51 120.96 3n3s h ILE 275 Ca 0.03 -0.66 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 3n3s h ILE 275 Cb 0.50 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3n3s h ILE 275 CO 0.02 0.18 -0.33 0.00 0.00 0.00 0.00 178.15 178.01 3n3s h ALA 276 N 0.76 1.30 -0.19 1.87 0.00 -1.38 0.23 119.26 121.86 3n3s h ALA 276 Ca 0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3n3s h ALA 276 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3n3s h ALA 276 CO 0.00 0.49 -0.33 0.78 0.00 0.00 0.00 179.25 180.19 3n3s h GLY 277 N 1.08 0.61 0.96 0.00 0.00 -0.81 -2.36 103.07 102.55 3n3s h GLY 277 Ca 0.02 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 3n3s h GLY 277 CO 0.05 0.63 0.15 -1.33 0.00 0.00 0.00 176.54 176.04 3n3s h GLY 278 N 0.22 0.39 -1.30 4.60 0.00 -0.75 -2.81 103.07 103.42 3n3s h GLY 278 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3n3s h GLY 278 CO 0.08 0.16 0.00 1.42 0.00 0.00 0.00 176.54 178.20 3n3s n HIS 279 N -4.85 0.40 0.20 5.60 8.25 0.05 -1.62 115.22 123.25 3n3s n HIS 279 Ca -0.02 -0.15 0.08 0.00 -0.26 0.00 0.00 57.72 57.37 3n3s n HIS 279 Cb 0.07 -0.14 0.37 0.00 1.12 0.00 0.00 29.99 31.41 3n3s n HIS 279 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3n3s h THR 280 N 0.93 0.69 -3.89 1.59 2.02 -1.14 -3.42 112.91 109.68 3n3s h THR 280 Ca 0.00 -1.35 -0.68 0.00 0.77 0.00 0.00 66.41 65.14 3n3s h THR 280 Cb 0.66 1.88 -0.21 0.00 -1.74 0.00 0.00 68.15 68.75 3n3s h THR 280 CO 0.08 0.29 -0.81 -0.36 0.37 0.00 0.00 175.52 175.09 3n3s s PHE 281 N -3.57 2.53 0.00 3.16 0.40 -0.64 -4.63 117.98 115.23 3n3s s PHE 281 Ca 0.01 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 3n3s s PHE 281 Cb 0.10 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.22 3n3s s PHE 281 CO 0.66 0.30 0.00 0.41 0.70 0.00 0.00 175.22 177.29 3n3s n GLY 282 N 1.26 -0.11 3.79 4.36 0.00 -0.13 -4.88 105.19 109.48 3n3s n GLY 282 Ca -0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 3n3s n GLY 282 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3s s LYS 283 N 0.00 1.40 0.65 1.61 -2.85 -1.26 -4.22 119.74 115.06 3n3s s LYS 283 Ca 0.00 -0.78 -0.01 0.00 -1.00 0.00 0.00 55.97 54.18 3n3s s LYS 283 Cb 0.00 0.47 0.08 0.00 -2.06 0.00 0.00 37.83 36.32 3n3s s LYS 283 CO 0.00 -0.64 0.91 0.95 0.10 0.00 0.00 175.35 176.67 3n3s s THR 284 N -3.44 2.39 -0.12 3.79 -4.23 0.47 -5.00 115.64 109.50 3n3s s THR 284 Ca 0.12 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3n3s s THR 284 Cb -0.03 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 71.03 3n3s s THR 284 CO 0.04 0.00 0.01 -1.00 -0.54 0.00 0.00 174.62 173.13 3n3s s HIS 285 N -3.00 0.81 -0.38 3.99 0.09 -0.98 -4.43 115.29 111.38 3n3s s HIS 285 Ca 0.62 -0.44 0.11 0.00 -0.00 0.00 0.00 55.06 55.35 3n3s s HIS 285 Cb -0.08 -0.89 0.41 0.00 -0.00 0.00 0.00 32.58 32.01 3n3s s HIS 285 CO 0.42 -0.44 1.25 0.41 -0.00 0.00 0.00 174.74 176.38 3n3s n GLY 286 N 5.11 1.38 0.25 -2.22 0.00 -0.40 -0.79 105.19 108.52 3n3s n GLY 286 Ca -0.08 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.65 3n3s n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s h ALA 287 N 2.28 1.00 -2.96 4.61 0.00 -1.67 -3.28 119.26 119.24 3n3s h ALA 287 Ca -0.23 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 3n3s h ALA 287 Cb 1.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 3n3s h ALA 287 CO 0.08 0.08 0.01 0.20 0.00 0.00 0.00 179.25 179.62 3n3s s GLY 288 N -4.22 0.98 0.54 0.00 0.00 -1.26 -4.79 107.32 98.57 3n3s s GLY 288 Ca 0.02 -1.16 -0.22 0.00 0.00 0.00 0.00 44.72 43.36 3n3s s GLY 288 CO 0.59 -0.69 1.37 -4.14 0.00 0.00 0.00 173.10 170.23 3n3s s PRO 289 N -2.79 3.15 0.58 2.90 0.02 -1.26 -4.03 135.00 133.57 3n3s s PRO 289 Ca 0.24 2.27 0.34 0.00 0.02 0.00 0.00 61.00 63.86 3n3s s PRO 289 Cb -0.02 -2.28 1.75 0.00 0.02 0.00 0.00 34.50 33.97 3n3s s PRO 289 CO 0.16 -1.19 2.16 0.00 -0.33 0.00 0.00 177.00 177.80 3n3s h ALA 290 N 1.49 1.16 0.00 -1.55 0.00 -1.92 -2.25 119.26 116.19 3n3s h ALA 290 Ca -0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3n3s h ALA 290 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3n3s h ALA 290 CO 0.57 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 3n3s n SER 291 N -3.38 0.54 0.28 0.00 3.41 -1.26 -0.91 113.62 112.29 3n3s n SER 291 Ca -0.02 0.68 0.18 0.00 -0.26 0.00 0.00 58.87 59.45 3n3s n SER 291 Cb 0.19 -0.77 0.79 0.00 -0.26 0.00 0.00 64.21 64.16 3n3s n SER 291 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3n3s h ASN 292 N 0.00 0.00 -3.36 4.04 2.35 -1.77 -3.45 115.58 113.39 3n3s h ASN 292 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 3n3s h ASN 292 Cb 0.21 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.50 3n3s h ASN 292 CO 0.00 0.00 -0.08 -0.69 -1.65 0.00 0.00 177.43 175.01 3n3s s VAL 293 N -3.74 5.15 0.08 2.81 1.01 -0.09 -0.82 120.40 124.79 3n3s s VAL 293 Ca -0.00 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 3n3s s VAL 293 Cb 0.10 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.64 3n3s s VAL 293 CO 0.49 0.28 0.10 0.61 0.00 0.00 0.00 175.10 176.58 3n3s n GLY 294 N 3.38 -0.19 3.74 4.51 0.00 0.15 -4.93 105.19 111.86 3n3s n GLY 294 Ca -0.06 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3n3s n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 295 N -3.03 1.94 -0.65 4.61 0.00 -1.26 -3.93 120.51 118.18 3n3s n ALA 295 Ca -0.02 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 3n3s n ALA 295 Cb 0.05 -2.35 0.19 0.00 0.00 0.00 0.00 19.45 17.34 3n3s n ALA 295 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3n3s s GLU 296 N -1.98 0.51 0.22 0.00 1.03 -1.26 -0.45 118.70 116.76 3n3s s GLU 296 Ca 0.54 1.38 -0.08 0.00 0.03 0.00 0.00 54.97 56.84 3n3s s GLU 296 Cb -0.51 -1.68 0.34 0.00 -0.80 0.00 0.00 34.13 31.48 3n3s s GLU 296 CO 0.63 -2.93 1.70 -1.35 -1.33 0.00 0.00 175.26 171.98 3n3s h PRO 297 N -2.08 0.26 0.00 -4.83 0.11 -1.82 -0.84 132.00 122.80 3n3s h PRO 297 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3n3s h PRO 297 Cb 1.28 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3n3s h PRO 297 CO 0.44 0.17 -0.00 0.93 -0.21 0.00 0.00 178.00 179.33 3n3s h GLU 298 N 0.27 0.00 -0.00 1.05 4.39 -1.90 -2.46 114.58 115.92 3n3s h GLU 298 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3n3s h GLU 298 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3n3s h GLU 298 CO -0.43 0.00 -0.69 0.00 -1.16 0.00 0.00 179.01 176.72 3n3s n ALA 299 N -2.08 3.92 -1.19 3.43 0.00 -0.43 -5.03 120.51 119.12 3n3s n ALA 299 Ca -0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 3n3s n ALA 299 Cb 0.15 -0.54 0.14 0.00 0.00 0.00 0.00 19.45 19.20 3n3s n ALA 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3s s ALA 300 N -2.39 1.46 0.78 0.00 0.00 -0.54 -4.90 121.76 116.17 3n3s s ALA 300 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 3n3s s ALA 300 Cb 0.11 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 20.11 3n3s s ALA 300 CO 0.61 -2.42 1.09 0.20 0.00 0.00 0.00 175.76 175.23 3n3s s GLY 301 N -3.42 1.67 0.54 0.00 0.00 -1.26 -4.89 107.32 99.96 3n3s s GLY 301 Ca 0.64 0.24 0.21 0.00 0.00 0.00 0.00 44.72 45.81 3n3s s GLY 301 CO 0.57 0.60 2.14 1.19 0.00 0.00 0.00 173.10 177.60 3n3s h ILE 302 N -1.15 0.82 0.00 0.90 2.10 -1.97 -1.16 117.51 117.05 3n3s h ILE 302 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 3n3s h ILE 302 Cb 1.23 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3n3s h ILE 302 CO 0.52 0.00 0.00 1.05 -1.08 0.00 0.00 178.15 178.64 3n3s h GLU 303 N 0.00 0.00 0.00 2.19 9.09 -2.01 -1.95 114.58 121.90 3n3s h GLU 303 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3n3s h GLU 303 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 3n3s h GLU 303 CO -0.00 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.06 3n3s n ALA 304 N -2.08 1.60 -4.00 1.06 0.00 -0.44 -4.89 120.51 111.76 3n3s n ALA 304 Ca 0.01 0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 3n3s n ALA 304 Cb 0.34 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3n3s n ALA 304 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3n3s n GLN 305 N -1.95 -3.14 -0.37 0.00 1.13 -0.73 -2.13 117.38 110.18 3n3s n GLN 305 Ca 0.02 0.38 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 3n3s n GLN 305 Cb 0.19 -4.51 0.00 0.00 0.11 0.00 0.00 30.24 26.03 3n3s n GLN 305 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n3s n GLY 306 N -1.98 0.87 4.01 1.08 0.00 -1.26 -5.04 105.19 102.85 3n3s n GLY 306 Ca -0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 3n3s n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 307 N 0.00 3.72 0.00 0.99 1.43 -0.90 -4.85 118.68 119.07 3n3s s LEU 307 Ca 0.00 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3n3s s LEU 307 Cb 0.00 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.56 3n3s s LEU 307 CO 0.00 -0.70 0.24 0.61 0.23 0.00 0.00 176.35 176.74 3n3s n GLY 308 N -1.81 2.12 3.75 -3.19 0.00 -1.26 -4.44 105.19 100.36 3n3s n GLY 308 Ca 0.06 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 3n3s n GLY 308 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3n3s n TRP 309 N -0.20 -2.50 -2.15 1.61 8.01 0.40 -4.83 117.44 117.77 3n3s n TRP 309 Ca -0.02 0.95 -0.42 0.00 -1.31 0.00 0.00 57.50 56.70 3n3s n TRP 309 Cb 0.22 -4.48 -0.03 0.00 -2.01 0.00 0.00 31.31 25.01 3n3s n TRP 309 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 3n3s s LYS 310 N -6.39 4.33 -0.14 -0.99 2.20 -1.26 -4.42 119.74 113.06 3n3s s LYS 310 Ca 0.55 2.11 -0.04 0.00 -0.36 0.00 0.00 55.97 58.23 3n3s s LYS 310 Cb -0.26 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 3n3s s LYS 310 CO 0.79 -0.38 -0.00 0.45 -0.36 0.00 0.00 175.35 175.84 3n3s s SER 311 N 0.74 5.11 0.00 1.43 0.15 -1.26 0.35 113.70 120.21 3n3s s SER 311 Ca 0.61 -0.01 0.23 0.00 0.70 0.00 0.00 55.95 57.48 3n3s s SER 311 Cb -0.38 -1.73 1.02 0.00 -1.71 0.00 0.00 66.02 63.22 3n3s s SER 311 CO 0.35 0.23 1.70 0.00 1.20 0.00 0.00 173.24 176.71 3n3s n ALA 312 N 3.14 2.57 -2.59 5.45 0.00 0.00 -4.21 120.51 124.87 3n3s n ALA 312 Ca -0.17 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 3n3s n ALA 312 Cb 0.53 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 3n3s n ALA 312 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3n3s s TYR 313 N -1.91 3.12 0.00 0.00 5.04 -1.26 -4.86 117.35 117.48 3n3s s TYR 313 Ca 0.34 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 3n3s s TYR 313 Cb 0.17 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 39.06 3n3s s TYR 313 CO 0.27 -0.73 0.00 0.54 -1.34 0.00 0.00 175.55 174.29 3n3s n ARG 314 N 6.45 0.00 0.05 4.97 1.74 -1.26 0.22 116.66 128.83 3n3s n ARG 314 Ca 0.04 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.24 3n3s n ARG 314 Cb 0.48 0.00 0.50 0.00 -1.02 0.00 0.00 32.46 32.42 3n3s n ARG 314 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3n3s n THR 315 N 0.00 0.39 -0.64 0.55 -2.24 -1.26 -4.91 114.28 106.17 3n3s n THR 315 Ca 0.00 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3n3s n THR 315 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 3n3s n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3s n GLY 316 N 1.18 1.15 3.83 3.38 0.00 0.13 -4.97 105.19 109.89 3n3s n GLY 316 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 3n3s n GLY 316 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3s s LYS 317 N -0.22 1.79 6.52 1.61 -2.85 -1.26 -4.51 119.74 120.82 3n3s s LYS 317 Ca 0.00 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 3n3s s LYS 317 Cb 0.00 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 3n3s s LYS 317 CO 0.00 -0.83 0.00 0.41 0.10 0.00 0.00 175.35 175.03 3n3s n GLY 318 N -0.50 3.87 0.29 0.59 0.00 -1.26 -1.02 105.19 107.16 3n3s n GLY 318 Ca -0.06 0.14 0.16 0.00 0.00 0.00 0.00 46.02 46.26 3n3s n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s h ALA 319 N -0.81 1.28 -0.69 4.61 0.00 -1.96 -1.70 119.26 119.98 3n3s h ALA 319 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3n3s h ALA 319 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3n3s h ALA 319 CO 0.00 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3n3s n ASP 320 N -3.54 4.09 -4.76 0.00 8.00 -0.19 -4.87 116.55 115.28 3n3s n ASP 320 Ca -0.02 -2.11 -0.39 0.00 0.71 0.00 0.00 54.79 52.98 3n3s n ASP 320 Cb 0.15 -0.50 0.01 0.00 -0.02 0.00 0.00 41.12 40.76 3n3s n ASP 320 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n3s s ALA 321 N -1.21 3.09 -0.10 2.24 0.00 -0.64 -4.33 121.76 120.81 3n3s s ALA 321 Ca 0.48 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.64 3n3s s ALA 321 Cb 0.27 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3n3s s ALA 321 CO 0.30 -0.92 -0.13 0.42 0.00 0.00 0.00 175.76 175.44 3n3s s ILE 322 N -1.34 1.28 0.00 0.00 1.01 -1.26 -2.17 121.20 118.71 3n3s s ILE 322 Ca 0.62 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3n3s s ILE 322 Cb -0.36 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3n3s s ILE 322 CO 0.45 0.40 0.00 0.41 0.00 0.00 0.00 174.94 176.20 3n3s n THR 323 N 4.24 0.00 0.49 2.92 -1.04 0.03 -4.89 114.28 116.04 3n3s n THR 323 Ca -0.19 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.94 3n3s n THR 323 Cb 0.51 -0.51 0.11 0.00 -1.82 0.00 0.00 70.33 68.63 3n3s n THR 323 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3n3s h SER 324 N 0.00 0.00 0.00 8.00 4.64 -1.86 -3.47 113.55 120.85 3n3s h SER 324 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3n3s h SER 324 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3n3s h SER 324 CO 0.00 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3n3s n GLY 325 N 1.32 1.44 3.89 -0.77 0.00 -0.83 -5.01 105.19 105.23 3n3s n GLY 325 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3n3s n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 326 N 0.00 4.18 -0.46 0.99 1.43 -1.25 -4.07 118.68 119.50 3n3s s LEU 326 Ca 0.00 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 3n3s s LEU 326 Cb 0.00 -3.50 0.15 0.00 0.03 0.00 0.00 46.19 42.87 3n3s s LEU 326 CO 0.00 -0.05 0.28 -0.70 0.23 0.00 0.00 176.35 176.11 3n3s s GLU 327 N -2.94 1.29 -0.02 1.70 2.56 -1.26 -1.28 118.70 118.75 3n3s s GLU 327 Ca 0.44 -2.11 0.02 0.00 0.00 0.00 0.00 54.97 53.32 3n3s s GLU 327 Cb -0.11 -2.22 0.00 0.00 2.00 0.00 0.00 34.13 33.80 3n3s s GLU 327 CO 0.25 -1.22 -0.08 0.08 -0.56 0.00 0.00 175.26 173.72 3n3s s VAL 328 N 0.17 0.72 -0.15 3.70 1.01 -1.26 -4.99 120.40 119.60 3n3s s VAL 328 Ca 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 3n3s s VAL 328 Cb -0.17 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.60 3n3s s VAL 328 CO -0.05 0.22 -0.07 -0.89 0.00 0.00 0.00 175.10 174.32 3n3s s THR 329 N 0.09 1.12 0.06 3.92 2.01 -1.26 -0.39 115.64 121.19 3n3s s THR 329 Ca -0.01 -0.51 -0.12 0.00 0.31 0.00 0.00 61.69 61.36 3n3s s THR 329 Cb -0.07 -1.22 -0.29 0.00 0.01 0.00 0.00 72.50 70.94 3n3s s THR 329 CO 0.00 0.24 1.12 -0.50 -0.69 0.00 0.00 174.62 174.80 3n3s h TRP 330 N 8.13 0.88 -2.30 4.92 6.55 -1.79 -3.33 115.95 129.01 3n3s h TRP 330 Ca -0.27 -0.57 -0.55 0.00 0.95 0.00 0.00 58.89 58.45 3n3s h TRP 330 Cb 1.12 -0.06 -0.14 0.00 -0.86 0.00 0.00 29.16 29.22 3n3s h TRP 330 CO 0.46 1.42 -0.64 0.95 -1.05 0.00 0.00 178.44 179.57 3n3s s THR 331 N -2.91 1.76 -1.11 1.49 -4.23 -1.26 -4.75 115.64 104.63 3n3s s THR 331 Ca -0.08 -2.09 0.25 0.00 -1.18 0.00 0.00 61.69 58.60 3n3s s THR 331 Cb 0.06 -2.69 0.27 0.00 1.34 0.00 0.00 72.50 71.48 3n3s s THR 331 CO 0.92 -0.15 1.83 0.35 -0.54 0.00 0.00 174.62 177.03 3n3s n THR 332 N -0.74 0.24 -3.35 3.99 -2.24 -1.26 -4.01 114.28 106.90 3n3s n THR 332 Ca -0.05 0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.54 3n3s n THR 332 Cb 0.65 -0.63 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 3n3s n THR 332 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3n3s n THR 333 N -1.44 -0.47 0.28 4.28 -2.24 -1.26 -4.49 114.28 108.94 3n3s n THR 333 Ca 0.08 -3.94 0.04 0.00 -2.27 0.00 0.00 64.05 57.96 3n3s n THR 333 Cb 0.27 -1.86 0.16 0.00 -2.10 0.00 0.00 70.33 66.81 3n3s n THR 333 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3n3s n PRO 334 N 2.01 0.03 -0.38 -0.78 -0.02 -1.26 -1.61 135.00 132.99 3n3s n PRO 334 Ca 0.25 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 3n3s n PRO 334 Cb 0.48 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.70 3n3s n PRO 334 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3n3s n THR 335 N -1.44 2.13 -3.80 3.45 -2.24 -1.26 -0.96 114.28 110.17 3n3s n THR 335 Ca 0.02 -1.84 -0.13 0.00 -2.27 0.00 0.00 64.05 59.83 3n3s n THR 335 Cb 0.08 -0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 3n3s n THR 335 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n3s s GLN 336 N -2.67 0.10 0.43 -0.78 -0.21 -0.63 -4.64 119.66 111.27 3n3s s GLN 336 Ca 0.39 0.24 -0.26 0.00 0.02 0.00 0.00 55.36 55.75 3n3s s GLN 336 Cb 0.31 -0.05 -0.09 0.00 1.00 0.00 0.00 33.01 34.18 3n3s s GLN 336 CO 0.09 -0.08 1.45 1.87 -2.12 0.00 0.00 175.29 176.50 3n3s n TRP 337 N 3.54 2.79 -3.83 0.91 -0.00 0.89 -4.84 117.44 116.91 3n3s n TRP 337 Ca -0.19 0.44 -0.09 0.00 -0.00 0.00 0.00 57.50 57.66 3n3s n TRP 337 Cb 0.56 -2.48 0.02 0.00 -0.00 0.00 0.00 31.31 29.41 3n3s n TRP 337 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 3n3s s SER 338 N -0.38 0.09 -0.36 5.87 1.04 -1.26 -4.99 113.70 113.71 3n3s s SER 338 Ca 0.59 -1.20 0.06 0.00 0.48 0.00 0.00 55.95 55.88 3n3s s SER 338 Cb -0.45 0.85 0.51 0.00 0.10 0.00 0.00 66.02 67.02 3n3s s SER 338 CO 0.59 -1.68 1.54 0.00 0.98 0.00 0.00 173.24 174.67 3n3s n HIS 339 N -0.54 1.91 0.34 5.02 1.44 -1.26 -4.70 115.22 117.43 3n3s n HIS 339 Ca -0.08 -1.97 0.13 0.00 -2.01 0.00 0.00 57.72 53.79 3n3s n HIS 339 Cb 0.60 -0.65 0.27 0.00 0.12 0.00 0.00 29.99 30.32 3n3s n HIS 339 CO 0.00 0.00 0.00 -0.97 -2.81 0.00 0.00 176.34 172.56 3n3s h ASN 340 N 1.37 0.00 -0.11 4.39 -0.73 -1.96 -2.48 115.58 116.06 3n3s h ASN 340 Ca 0.35 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.51 3n3s h ASN 340 Cb 1.62 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.21 3n3s h ASN 340 CO 0.71 0.00 0.06 0.15 -0.37 0.00 0.00 177.43 177.97 3n3s h PHE 341 N 0.00 0.16 -0.02 0.67 3.57 -1.86 -0.19 116.94 119.28 3n3s h PHE 341 Ca 0.00 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 3n3s h PHE 341 Cb 0.89 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3n3s h PHE 341 CO 0.00 0.21 -0.82 0.74 -2.23 0.00 0.00 178.31 176.21 3n3s h PHE 342 N 0.07 0.36 -0.43 0.41 0.05 -1.93 0.11 116.94 115.58 3n3s h PHE 342 Ca 0.04 -0.18 0.07 0.00 3.82 0.00 0.00 57.97 61.71 3n3s h PHE 342 Cb 0.10 -0.05 -0.06 0.00 2.00 0.00 0.00 35.95 37.95 3n3s h PHE 342 CO -0.03 0.97 0.10 0.93 -0.18 0.00 0.00 178.31 180.09 3n3s h GLU 343 N 0.15 0.23 -0.24 1.51 5.08 -1.25 -1.36 114.58 118.71 3n3s h GLU 343 Ca -0.04 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3n3s h GLU 343 Cb 1.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 3n3s h GLU 343 CO 0.13 0.16 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.23 3n3s h ASN 344 N 0.24 0.56 -0.93 1.42 2.35 -0.86 0.88 115.58 119.23 3n3s h ASN 344 Ca 0.21 -0.43 0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3n3s h ASN 344 Cb 0.25 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.39 3n3s h ASN 344 CO -0.26 0.87 0.58 0.25 -1.65 0.00 0.00 177.43 177.22 3n3s h LEU 345 N 0.25 0.89 0.00 1.61 5.85 -0.50 -2.66 115.31 120.75 3n3s h LEU 345 Ca 0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3n3s h LEU 345 Cb 0.68 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3n3s h LEU 345 CO 0.04 0.54 -1.23 0.49 -0.34 0.00 0.00 178.44 177.94 3n3s n PHE 346 N -4.60 0.81 1.14 1.25 3.01 -0.54 -4.32 117.46 114.21 3n3s n PHE 346 Ca 0.15 0.24 0.13 0.00 1.01 0.00 0.00 57.45 58.98 3n3s n PHE 346 Cb 0.24 -0.91 0.32 0.00 -0.01 0.00 0.00 39.48 39.12 3n3s n PHE 346 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n3s n GLY 347 N 1.23 -0.90 3.34 1.37 0.00 0.30 -4.88 105.19 105.65 3n3s n GLY 347 Ca -0.02 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 3n3s n GLY 347 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n3s s TYR 348 N -2.72 1.85 0.28 1.61 1.51 -1.11 -5.03 117.35 113.73 3n3s s TYR 348 Ca 0.18 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 3n3s s TYR 348 Cb 0.18 -0.91 -0.05 0.00 -0.11 0.00 0.00 41.96 41.08 3n3s s TYR 348 CO 0.60 0.35 0.53 -1.21 -1.11 0.00 0.00 175.55 174.71 3n3s s GLU 349 N -2.88 3.59 -0.06 -0.62 0.41 -1.26 -4.92 118.70 112.95 3n3s s GLU 349 Ca 0.17 -0.10 0.06 0.00 -0.41 0.00 0.00 54.97 54.69 3n3s s GLU 349 Cb -0.05 -2.68 -0.01 0.00 -1.78 0.00 0.00 34.13 29.61 3n3s s GLU 349 CO 0.07 0.23 -0.25 -1.58 -0.49 0.00 0.00 175.26 173.25 3n3s s TRP 350 N -2.09 2.46 -0.10 1.61 0.52 -1.26 -1.06 118.94 119.01 3n3s s TRP 350 Ca 0.42 -0.73 -0.00 0.00 0.02 0.00 0.00 56.10 55.81 3n3s s TRP 350 Cb -0.11 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 3n3s s TRP 350 CO 0.31 -0.22 -0.08 -2.00 0.02 0.00 0.00 176.95 174.97 3n3s s GLU 351 N -0.13 3.11 0.09 4.98 2.12 0.67 -4.91 118.70 124.63 3n3s s GLU 351 Ca -0.04 -0.59 -0.31 0.00 0.36 0.00 0.00 54.97 54.39 3n3s s GLU 351 Cb -0.14 -2.66 -0.07 0.00 0.26 0.00 0.00 34.13 31.52 3n3s s GLU 351 CO 0.04 0.45 1.29 -1.17 -0.54 0.00 0.00 175.26 175.33 3n3s s LEU 352 N -0.23 4.37 0.00 2.70 2.96 -1.26 -0.87 118.68 126.35 3n3s s LEU 352 Ca 0.03 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.12 3n3s s LEU 352 Cb -0.13 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3n3s s LEU 352 CO 0.03 -0.56 0.26 1.07 -1.32 0.00 0.00 176.35 175.83 3n3s n THR 353 N 3.92 0.00 -4.75 3.68 5.66 0.71 -4.95 114.28 118.55 3n3s n THR 353 Ca 0.10 -1.24 -0.25 0.00 -3.05 0.00 0.00 64.05 59.61 3n3s n THR 353 Cb 0.44 0.71 -0.15 0.00 -1.55 0.00 0.00 70.33 69.78 3n3s n THR 353 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3n3s s LYS 354 N -2.61 1.43 0.93 1.09 1.02 -1.26 -1.57 119.74 118.78 3n3s s LYS 354 Ca 0.20 -0.82 -0.15 0.00 0.02 0.00 0.00 55.97 55.22 3n3s s LYS 354 Cb -0.00 -1.47 0.17 0.00 -0.52 0.00 0.00 37.83 36.01 3n3s s LYS 354 CO 0.14 0.39 1.26 -1.54 -0.92 0.00 0.00 175.35 174.68 3n3s s SER 355 N -0.86 3.37 0.60 2.83 1.04 -0.11 -4.87 113.70 115.70 3n3s s SER 355 Ca 0.07 0.46 0.36 0.00 0.48 0.00 0.00 55.95 57.32 3n3s s SER 355 Cb -0.08 -0.66 1.96 0.00 0.10 0.00 0.00 66.02 67.34 3n3s s SER 355 CO 0.01 -2.59 2.24 -0.65 0.98 0.00 0.00 173.24 173.23 3n3s h PRO 356 N -1.54 0.00 -0.01 4.02 0.11 -1.84 0.13 132.00 132.88 3n3s h PRO 356 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3n3s h PRO 356 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3n3s h PRO 356 CO 0.46 0.03 -0.04 0.00 -0.21 0.00 0.00 178.00 178.23 3n3s n ALA 357 N -2.19 2.69 -0.62 -0.75 0.00 -1.23 -4.06 120.51 114.34 3n3s n ALA 357 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3n3s n ALA 357 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3n3s n ALA 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3s n GLY 358 N 1.16 0.65 3.84 0.00 0.00 0.47 -4.58 105.19 106.74 3n3s n GLY 358 Ca 0.19 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3n3s n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s s ALA 359 N -2.00 3.49 0.23 4.61 0.00 -1.26 -4.72 121.76 122.12 3n3s s ALA 359 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 3n3s s ALA 359 Cb 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.41 3n3s s ALA 359 CO 0.00 0.41 1.21 -1.01 0.00 0.00 0.00 175.76 176.37 3n3s s HIS 360 N -1.65 3.38 0.36 0.00 3.76 -1.26 -0.93 115.29 118.94 3n3s s HIS 360 Ca 0.44 1.46 -0.15 0.00 -0.15 0.00 0.00 55.06 56.66 3n3s s HIS 360 Cb -0.14 -3.46 0.06 0.00 1.11 0.00 0.00 32.58 30.15 3n3s s HIS 360 CO 0.20 -1.26 0.78 0.00 -0.85 0.00 0.00 174.74 173.61 3n3s n GLN 361 N 1.94 1.04 -4.32 1.40 10.64 -0.61 -4.68 117.38 122.80 3n3s n GLN 361 Ca 0.03 -2.05 -0.20 0.00 -1.83 0.00 0.00 57.00 52.94 3n3s n GLN 361 Cb 0.44 2.58 -0.13 0.00 -0.86 0.00 0.00 30.24 32.27 3n3s n GLN 361 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3n3s s TRP 362 N -2.44 1.29 0.05 2.61 0.52 -0.38 -0.21 118.94 120.38 3n3s s TRP 362 Ca 0.16 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.93 3n3s s TRP 362 Cb -0.05 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 3n3s s TRP 362 CO 0.11 0.05 -0.12 0.54 0.02 0.00 0.00 176.95 177.55 3n3s s VAL 363 N -0.98 0.93 0.06 4.03 0.11 -0.05 -1.60 120.40 122.90 3n3s s VAL 363 Ca 0.01 -1.05 -0.31 0.00 -2.93 0.00 0.00 61.98 57.71 3n3s s VAL 363 Cb -0.09 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 3n3s s VAL 363 CO 0.02 -0.14 1.18 0.00 -3.33 0.00 0.00 175.10 172.82 3n3s s ALA 364 N -1.04 3.37 0.22 1.54 0.00 -0.49 -0.24 121.76 125.12 3n3s s ALA 364 Ca -0.02 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 3n3s s ALA 364 Cb -0.09 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3n3s s ALA 364 CO 0.01 -0.41 1.21 0.15 0.00 0.00 0.00 175.76 176.72 3n3s s LYS 365 N 1.04 4.49 -0.64 0.00 1.02 -0.23 -3.31 119.74 122.11 3n3s s LYS 365 Ca 0.58 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.50 3n3s s LYS 365 Cb -0.29 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 3n3s s LYS 365 CO 0.29 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 3n3s n GLY 366 N 1.90 0.64 3.85 -3.33 0.00 -1.26 -4.66 105.19 102.33 3n3s n GLY 366 Ca 0.03 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3n3s n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s s ALA 367 N -1.65 3.14 0.67 4.61 0.00 -1.21 -5.06 121.76 122.26 3n3s s ALA 367 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 3n3s s ALA 367 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 3n3s s ALA 367 CO 0.00 -0.21 1.05 -0.51 0.00 0.00 0.00 175.76 176.09 3n3s s ASP 368 N -3.17 5.60 -0.92 0.00 1.01 -1.26 -4.92 116.67 113.01 3n3s s ASP 368 Ca 0.57 1.61 -0.24 0.00 0.71 0.00 0.00 52.55 55.20 3n3s s ASP 368 Cb -0.10 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 41.33 3n3s s ASP 368 CO 0.33 -1.30 1.71 0.00 0.21 0.00 0.00 175.17 176.12 3n3s s ALA 369 N -2.97 2.16 -0.50 5.23 0.00 -1.26 -4.44 121.76 119.98 3n3s s ALA 369 Ca 0.58 -1.74 0.07 0.00 0.00 0.00 0.00 51.96 50.87 3n3s s ALA 369 Cb -0.14 -4.51 -0.03 0.00 0.00 0.00 0.00 23.12 18.44 3n3s s ALA 369 CO 0.52 -4.21 0.42 1.33 0.00 0.00 0.00 175.76 173.81 3n3s n VAL 370 N 7.37 0.00 -3.67 0.00 0.24 -0.75 -4.50 118.33 117.02 3n3s n VAL 370 Ca 0.34 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.34 61.90 3n3s n VAL 370 Cb 0.49 1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 33.83 3n3s n VAL 370 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3n3s s ILE 371 N -1.33 5.38 0.55 1.34 -1.09 -0.28 -4.76 121.20 121.01 3n3s s ILE 371 Ca 0.04 0.30 -0.19 0.00 -2.23 0.00 0.00 60.65 58.57 3n3s s ILE 371 Cb 0.05 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 3n3s s ILE 371 CO 0.22 0.43 1.11 -2.16 -1.23 0.00 0.00 174.94 173.31 3n3s s PRO 372 N 0.37 3.36 0.47 2.79 0.04 -1.26 0.43 135.00 141.19 3n3s s PRO 372 Ca 0.11 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 3n3s s PRO 372 Cb -0.12 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3n3s s PRO 372 CO -0.00 -0.83 0.93 0.34 0.04 0.00 0.00 177.00 177.48 3n3s s ASP 373 N -1.95 6.71 0.41 6.66 -1.08 -1.09 -4.77 116.67 121.55 3n3s s ASP 373 Ca 0.71 1.53 0.22 0.00 -0.52 0.00 0.00 52.55 54.49 3n3s s ASP 373 Cb -0.22 -2.49 0.69 0.00 -1.46 0.00 0.00 42.92 39.44 3n3s s ASP 373 CO 0.28 -0.48 1.73 0.00 0.52 0.00 0.00 175.17 177.22 3n3s h ALA 374 N 1.31 0.94 0.00 3.66 0.00 -1.95 -3.38 119.26 119.84 3n3s h ALA 374 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3n3s h ALA 374 Cb 1.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3n3s h ALA 374 CO 0.62 0.33 -0.46 1.19 0.00 0.00 0.00 179.25 180.92 3n3s n PHE 375 N -3.32 0.00 -3.81 0.00 3.01 -1.26 -1.21 117.46 110.86 3n3s n PHE 375 Ca 0.01 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.10 3n3s n PHE 375 Cb 0.50 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.85 3n3s n PHE 375 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3n3s s ASP 376 N -1.44 5.14 0.00 4.37 -1.08 -1.26 -4.96 116.67 117.45 3n3s s ASP 376 Ca 0.00 -1.21 0.16 0.00 -0.52 0.00 0.00 52.55 50.98 3n3s s ASP 376 Cb 0.00 -1.80 0.86 0.00 -1.46 0.00 0.00 42.92 40.51 3n3s s ASP 376 CO 0.00 -0.31 1.44 -0.81 0.52 0.00 0.00 175.17 176.01 3n3s n PRO 377 N 4.73 0.31 0.00 4.34 -0.04 -1.26 -2.06 135.00 141.03 3n3s n PRO 377 Ca -0.13 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 3n3s n PRO 377 Cb 0.44 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 3n3s n PRO 377 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3n3s n SER 378 N -1.20 1.94 -4.77 3.54 3.41 -1.26 -4.90 113.62 110.38 3n3s n SER 378 Ca 0.09 -1.47 -0.36 0.00 -0.26 0.00 0.00 58.87 56.87 3n3s n SER 378 Cb 0.11 0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 64.46 3n3s n SER 378 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3n3s s LYS 379 N -2.37 3.27 0.29 4.33 1.02 -0.87 -5.11 119.74 120.30 3n3s s LYS 379 Ca 0.17 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 55.94 3n3s s LYS 379 Cb 0.17 -3.01 -0.06 0.00 -0.52 0.00 0.00 37.83 34.41 3n3s s LYS 379 CO 0.54 0.70 -0.01 0.15 -0.92 0.00 0.00 175.35 175.82 3n3s s LYS 380 N -0.85 1.56 0.20 1.68 1.02 -1.26 -2.67 119.74 119.41 3n3s s LYS 380 Ca 0.13 -1.82 0.01 0.00 0.02 0.00 0.00 55.97 54.32 3n3s s LYS 380 Cb -0.12 -0.97 -0.05 0.00 -0.52 0.00 0.00 37.83 36.17 3n3s s LYS 380 CO 0.03 -0.06 0.04 -1.01 -0.92 0.00 0.00 175.35 173.42 3n3s s HIS 381 N -3.17 1.28 0.56 3.18 3.76 0.17 -4.88 115.29 116.19 3n3s s HIS 381 Ca 0.32 -1.10 -0.15 0.00 -0.15 0.00 0.00 55.06 53.98 3n3s s HIS 381 Cb 0.06 -0.73 -0.06 0.00 1.11 0.00 0.00 32.58 32.96 3n3s s HIS 381 CO 0.13 -0.29 1.01 1.03 -0.85 0.00 0.00 174.74 175.76 3n3s s ARG 382 N -3.97 3.73 0.45 1.40 0.52 -1.26 -1.13 118.95 118.69 3n3s s ARG 382 Ca 0.29 0.92 -0.25 0.00 -0.52 0.00 0.00 55.73 56.16 3n3s s ARG 382 Cb 0.07 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.35 3n3s s ARG 382 CO 0.07 -0.45 1.37 -2.30 0.02 0.00 0.00 175.30 174.00 3n3s n PRO 383 N -2.05 2.10 -4.03 3.54 -0.02 -1.26 -4.81 135.00 128.46 3n3s n PRO 383 Ca 0.07 0.75 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 3n3s n PRO 383 Cb 0.54 -2.54 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 3n3s n PRO 383 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3n3s s THR 384 N -1.20 0.20 0.05 3.45 -4.23 -1.25 -1.40 115.64 111.26 3n3s s THR 384 Ca 0.62 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 59.42 3n3s s THR 384 Cb -0.47 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 3n3s s THR 384 CO 0.57 -0.91 0.12 -0.04 -0.54 0.00 0.00 174.62 173.82 3n3s s MET 385 N -3.88 0.68 0.54 3.99 -1.94 -0.63 -4.48 119.30 113.58 3n3s s MET 385 Ca 0.06 -0.86 -0.07 0.00 -1.71 0.00 0.00 55.69 53.11 3n3s s MET 385 Cb 0.07 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 37.14 3n3s s MET 385 CO -0.10 -0.18 0.88 -0.51 -0.01 0.00 0.00 175.02 175.10 3n3s s LEU 386 N -2.44 3.45 0.28 -0.03 1.43 -1.26 -1.25 118.68 118.85 3n3s s LEU 386 Ca -0.00 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.19 3n3s s LEU 386 Cb 0.02 -4.08 0.47 0.00 0.03 0.00 0.00 46.19 42.64 3n3s s LEU 386 CO -0.07 -0.72 1.88 0.74 0.23 0.00 0.00 176.35 178.41 3n3s h THR 387 N -0.00 1.04 0.00 5.49 2.02 -1.82 -0.70 112.91 118.94 3n3s h THR 387 Ca -0.46 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3n3s h THR 387 Cb 1.20 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3n3s h THR 387 CO 0.62 0.20 0.00 0.71 0.37 0.00 0.00 175.52 177.42 3n3s h THR 388 N 1.10 0.00 -0.25 3.16 1.35 -1.87 -2.23 112.91 114.17 3n3s h THR 388 Ca 0.44 -0.60 -0.12 0.00 -0.55 0.00 0.00 66.41 65.57 3n3s h THR 388 Cb 0.25 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 68.22 3n3s h THR 388 CO -0.19 0.00 -0.33 0.44 -0.25 0.00 0.00 175.52 175.19 3n3s h ASP 389 N 0.00 0.72 0.61 5.36 3.32 -1.51 -3.16 116.42 121.76 3n3s h ASP 389 Ca 0.00 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 3n3s h ASP 389 Cb 0.69 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3n3s h ASP 389 CO 0.00 1.08 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.49 3n3s h LEU 390 N 0.38 0.00 -1.71 1.55 3.38 -0.76 -1.31 115.31 116.83 3n3s h LEU 390 Ca 0.03 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.18 3n3s h LEU 390 Cb 0.91 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 3n3s h LEU 390 CO 0.08 0.04 0.52 0.28 0.09 0.00 0.00 178.44 179.45 3n3s h SER 391 N 0.00 0.25 1.13 -0.43 0.02 -1.40 0.30 113.55 113.43 3n3s h SER 391 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3n3s h SER 391 Cb 0.36 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3n3s h SER 391 CO 0.01 0.12 0.00 -0.07 -1.14 0.00 0.00 176.83 175.74 3n3s h LEU 392 N 0.26 0.00 0.01 5.07 3.38 -1.37 -2.12 115.31 120.53 3n3s h LEU 392 Ca 0.38 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.97 3n3s h LEU 392 Cb 1.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 3n3s h LEU 392 CO -0.09 0.00 -2.37 -1.14 0.09 0.00 0.00 178.44 174.93 3n3s n ARG 393 N -2.79 0.67 0.09 1.13 0.63 -0.04 -2.88 116.66 113.47 3n3s n ARG 393 Ca 0.02 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.16 3n3s n ARG 393 Cb 0.33 -1.55 0.02 0.00 0.45 0.00 0.00 32.46 31.71 3n3s n ARG 393 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3n3s n PHE 394 N -3.04 0.80 -2.65 -0.14 3.01 -0.40 -4.51 117.46 110.52 3n3s n PHE 394 Ca -0.38 0.23 -0.42 0.00 1.01 0.00 0.00 57.45 57.89 3n3s n PHE 394 Cb 1.07 -0.85 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3n3s n PHE 394 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3n3s s ASP 395 N -5.03 7.21 0.35 4.37 -1.08 -0.80 -4.83 116.67 116.87 3n3s s ASP 395 Ca 0.00 1.57 0.04 0.00 -0.52 0.00 0.00 52.55 53.64 3n3s s ASP 395 Cb 0.11 -2.56 0.68 0.00 -1.46 0.00 0.00 42.92 39.70 3n3s s ASP 395 CO 0.79 -0.48 1.98 -0.65 0.52 0.00 0.00 175.17 177.33 3n3s h PRO 396 N 7.17 0.79 0.04 4.34 0.11 -1.90 0.12 132.00 142.67 3n3s h PRO 396 Ca -0.31 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.50 3n3s h PRO 396 Cb 1.15 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.09 3n3s h PRO 396 CO 0.86 0.52 -1.04 0.00 -0.21 0.00 0.00 178.00 178.14 3n3s h ALA 397 N 1.60 0.24 -0.63 -0.75 0.00 -1.96 -3.04 119.26 114.72 3n3s h ALA 397 Ca 0.28 -0.74 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3n3s h ALA 397 Cb 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3n3s h ALA 397 CO -0.08 0.80 0.07 1.88 0.00 0.00 0.00 179.25 181.91 3n3s h TYR 398 N 0.24 1.14 -0.85 0.00 0.99 -1.74 -3.00 116.97 113.74 3n3s h TYR 398 Ca -0.11 -0.17 0.10 0.00 2.00 0.00 0.00 58.73 60.55 3n3s h TYR 398 Cb 1.70 -0.31 -0.06 0.00 1.00 0.00 0.00 36.73 39.06 3n3s h TYR 398 CO 0.07 0.97 0.55 1.49 -0.00 0.00 0.00 178.16 181.25 3n3s h GLU 399 N 0.99 0.77 -0.48 4.88 4.22 -0.63 0.14 114.58 124.47 3n3s h GLU 399 Ca 0.19 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.46 3n3s h GLU 399 Cb 0.48 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3n3s h GLU 399 CO 0.02 0.51 -0.19 0.87 -2.18 0.00 0.00 179.01 178.04 3n3s h LYS 400 N 0.80 0.97 -0.19 1.92 1.57 -1.41 0.36 116.57 120.59 3n3s h LYS 400 Ca 0.40 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3n3s h LYS 400 Cb 0.46 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3n3s h LYS 400 CO -0.16 1.06 -0.20 0.82 -0.57 0.00 0.00 179.45 180.40 3n3s h ILE 401 N 0.84 1.33 -0.68 1.86 2.04 -1.25 -2.45 117.51 119.22 3n3s h ILE 401 Ca 0.12 -1.37 0.03 0.00 1.00 0.00 0.00 64.86 64.64 3n3s h ILE 401 Cb 0.75 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3n3s h ILE 401 CO 0.06 0.41 0.42 0.28 0.00 0.00 0.00 178.15 179.33 3n3s h SER 402 N 0.12 0.69 -0.79 1.72 0.02 -0.67 0.14 113.55 114.78 3n3s h SER 402 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3n3s h SER 402 Cb 0.74 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 3n3s h SER 402 CO 0.05 0.48 0.39 -0.09 -1.14 0.00 0.00 176.83 176.52 3n3s h ARG 403 N 0.82 1.14 -0.41 3.45 2.43 -0.90 0.13 114.38 121.05 3n3s h ARG 403 Ca 0.27 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3n3s h ARG 403 Cb 0.02 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 3n3s h ARG 403 CO -0.11 0.87 -0.08 -0.09 -1.51 0.00 0.00 179.97 179.05 3n3s h ARG 404 N 1.13 0.77 0.00 0.20 2.43 -0.84 -0.23 114.38 117.85 3n3s h ARG 404 Ca 0.28 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 3n3s h ARG 404 Cb 0.10 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3n3s h ARG 404 CO -0.04 0.90 -0.46 0.74 -1.51 0.00 0.00 179.97 179.59 3n3s h PHE 405 N 0.59 0.00 -0.30 2.20 0.05 -0.47 0.17 116.94 119.18 3n3s h PHE 405 Ca 0.10 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.78 3n3s h PHE 405 Cb 0.60 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 3n3s h PHE 405 CO 0.05 0.46 -0.26 1.25 -0.18 0.00 0.00 178.31 179.63 3n3s h HIS 406 N 0.00 0.84 0.00 -0.55 2.76 -0.48 -2.91 115.15 114.81 3n3s h HIS 406 Ca -0.00 -0.24 -0.09 0.00 -2.20 0.00 0.00 60.37 57.83 3n3s h HIS 406 Cb 0.85 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 3n3s h HIS 406 CO 0.00 0.98 -0.44 0.93 -1.30 0.00 0.00 177.93 178.10 3n3s h GLU 407 N 0.45 0.00 -2.38 5.26 5.08 -0.88 -3.38 114.58 118.74 3n3s h GLU 407 Ca 0.05 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.82 3n3s h GLU 407 Cb 0.82 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.67 3n3s h GLU 407 CO 0.07 0.44 -0.82 0.09 -1.00 0.00 0.00 179.01 177.78 3n3s n ASN 408 N -3.41 1.59 0.23 1.42 3.02 0.58 -4.96 115.26 113.72 3n3s n ASN 408 Ca 0.01 -2.93 0.16 0.00 -0.03 0.00 0.00 54.58 51.78 3n3s n ASN 408 Cb 0.60 -0.65 0.69 0.00 -0.61 0.00 0.00 39.78 39.81 3n3s n ASN 408 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3n3s h PRO 409 N 4.74 0.00 0.00 3.52 0.11 -1.70 0.55 132.00 139.22 3n3s h PRO 409 Ca 0.17 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 3n3s h PRO 409 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3n3s h PRO 409 CO 0.60 0.00 -0.45 1.05 -0.21 0.00 0.00 178.00 178.99 3n3s h GLU 410 N 0.00 0.00 -0.48 1.05 9.09 -1.93 -1.17 114.58 121.15 3n3s h GLU 410 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 3n3s h GLU 410 Cb 0.33 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 3n3s h GLU 410 CO 0.00 0.45 -0.20 1.96 0.05 0.00 0.00 179.01 181.26 3n3s h GLN 411 N 0.00 0.97 -0.14 1.06 4.20 -1.24 -1.97 115.11 117.98 3n3s h GLN 411 Ca -0.00 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 3n3s h GLN 411 Cb 0.80 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3n3s h GLN 411 CO 0.06 1.07 0.04 0.35 -0.67 0.00 0.00 178.83 179.68 3n3s h PHE 412 N 0.84 0.24 -0.45 2.96 3.57 -1.29 -0.96 116.94 121.85 3n3s h PHE 412 Ca 0.11 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3n3s h PHE 412 Cb 0.77 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3n3s h PHE 412 CO 0.05 0.37 0.25 0.00 -2.23 0.00 0.00 178.31 176.75 3n3s h ALA 413 N 0.84 0.58 -0.47 2.41 0.00 -1.17 0.35 119.26 121.80 3n3s h ALA 413 Ca 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3n3s h ALA 413 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3n3s h ALA 413 CO -0.00 0.10 0.13 0.22 0.00 0.00 0.00 179.25 179.70 3n3s h ASP 414 N 0.59 0.69 -0.84 0.00 1.82 -1.20 -0.71 116.42 116.77 3n3s h ASP 414 Ca 0.16 -0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 56.56 3n3s h ASP 414 Cb 0.05 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 39.84 3n3s h ASP 414 CO -0.03 0.72 0.43 0.00 -1.61 0.00 0.00 179.24 178.75 3n3s h ALA 415 N 0.99 1.08 -0.32 -0.78 0.00 -0.95 -1.42 119.26 117.87 3n3s h ALA 415 Ca 0.15 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3n3s h ALA 415 Cb 0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3n3s h ALA 415 CO -0.00 0.63 -0.42 0.35 0.00 0.00 0.00 179.25 179.80 3n3s h PHE 416 N 1.19 1.04 -0.67 0.00 -0.00 -0.82 -1.19 116.94 116.49 3n3s h PHE 416 Ca 0.29 -0.34 -0.06 0.00 -0.00 0.00 0.00 57.97 57.87 3n3s h PHE 416 Cb 0.09 -0.21 -0.03 0.00 -0.00 0.00 0.00 35.95 35.80 3n3s h PHE 416 CO 0.01 1.15 0.19 0.00 -0.00 0.00 0.00 178.31 179.66 3n3s h ALA 417 N 0.71 1.06 -0.21 2.41 0.00 -0.82 0.15 119.26 122.56 3n3s h ALA 417 Ca 0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3n3s h ALA 417 Cb 1.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3n3s h ALA 417 CO 0.10 0.63 -0.46 0.00 0.00 0.00 0.00 179.25 179.51 3n3s h ARG 418 N 1.00 0.53 -0.36 0.00 3.08 -1.12 -1.82 114.38 115.69 3n3s h ARG 418 Ca 0.22 -0.29 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 3n3s h ARG 418 Cb 0.32 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3n3s h ARG 418 CO -0.00 0.88 -0.41 0.00 -1.07 0.00 0.00 179.97 179.37 3n3s h ALA 419 N 1.07 0.58 -0.70 0.04 0.00 -0.90 -1.18 119.26 118.18 3n3s h ALA 419 Ca 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3n3s h ALA 419 Cb 0.97 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3n3s h ALA 419 CO 0.09 0.68 0.30 2.35 0.00 0.00 0.00 179.25 182.67 3n3s h TRP 420 N 0.73 1.05 -0.14 0.00 2.91 -0.63 0.12 115.95 119.99 3n3s h TRP 420 Ca 0.05 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 3n3s h TRP 420 Cb 1.00 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 3n3s h TRP 420 CO 0.06 0.80 0.03 0.35 -1.03 0.00 0.00 178.44 178.65 3n3s h PHE 421 N 0.99 0.24 0.11 2.65 3.57 -1.24 -1.59 116.94 121.68 3n3s h PHE 421 Ca 0.24 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3n3s h PHE 421 Cb 0.18 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3n3s h PHE 421 CO 0.01 0.39 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.15 3n3s h LYS 422 N 0.02 -0.23 -0.71 1.11 3.64 -1.07 -0.90 116.57 118.43 3n3s h LYS 422 Ca 0.04 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 3n3s h LYS 422 Cb 0.27 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.01 3n3s h LYS 422 CO 0.00 -0.16 -0.19 1.25 -2.27 0.00 0.00 179.45 178.09 3n3s h LEU 423 N -0.24 -0.70 -0.10 5.20 5.85 -0.72 -0.51 115.31 124.08 3n3s h LEU 423 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3n3s h LEU 423 Cb 0.23 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3n3s h LEU 423 CO -0.03 -0.24 -0.31 0.35 -0.34 0.00 0.00 178.44 177.87 3n3s n THR 424 N -5.47 0.00 0.01 1.05 -2.24 -0.60 -3.61 114.28 103.41 3n3s n THR 424 Ca 0.09 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3n3s n THR 424 Cb 0.37 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3n3s n THR 424 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3n3s n HIS 425 N -1.30 0.01 0.25 4.78 8.25 -0.37 -4.84 115.22 122.00 3n3s n HIS 425 Ca 0.08 -0.21 0.10 0.00 -0.26 0.00 0.00 57.72 57.43 3n3s n HIS 425 Cb 0.33 -0.02 0.66 0.00 1.12 0.00 0.00 29.99 32.08 3n3s n HIS 425 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3n3s h ARG 426 N 0.07 0.00 -0.39 -0.41 9.65 -1.17 -2.00 114.38 120.13 3n3s h ARG 426 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3n3s h ARG 426 Cb 0.22 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 3n3s h ARG 426 CO 0.00 0.13 0.02 -0.40 2.80 0.00 0.00 179.97 182.52 3n3s n ASP 427 N -3.96 4.41 0.03 -3.80 5.75 -1.26 -4.50 116.55 113.22 3n3s n ASP 427 Ca -0.02 -3.06 0.12 0.00 -0.01 0.00 0.00 54.79 51.82 3n3s n ASP 427 Cb 0.22 -0.61 0.30 0.00 -1.03 0.00 0.00 41.12 40.00 3n3s n ASP 427 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3n3s n MET 428 N -0.21 0.14 0.00 0.11 2.81 -0.75 -4.48 117.12 114.74 3n3s n MET 428 Ca 0.26 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 3n3s n MET 428 Cb 1.03 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.94 3n3s n MET 428 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3s n GLY 429 N 1.42 -0.34 3.74 3.03 0.00 -1.20 -4.78 105.19 107.05 3n3s n GLY 429 Ca 0.05 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3n3s n GLY 429 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n3s s PRO 430 N 0.00 2.54 0.58 1.61 0.02 -1.26 -4.85 135.00 133.65 3n3s s PRO 430 Ca 0.00 1.84 0.28 0.00 0.02 0.00 0.00 61.00 63.14 3n3s s PRO 430 Cb 0.00 -1.87 1.53 0.00 0.02 0.00 0.00 34.50 34.18 3n3s s PRO 430 CO 0.00 -1.55 1.97 0.00 -0.33 0.00 0.00 177.00 177.10 3n3s h ARG 431 N 0.31 0.00 -0.11 5.54 3.08 -1.90 0.23 114.38 121.53 3n3s h ARG 431 Ca -0.49 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.59 3n3s h ARG 431 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3n3s h ARG 431 CO 0.52 0.00 0.17 0.00 -1.07 0.00 0.00 179.97 179.60 3n3s h ALA 432 N 1.59 1.55 -0.00 0.04 0.00 -1.94 -0.76 119.26 119.74 3n3s h ALA 432 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3n3s h ALA 432 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3n3s h ALA 432 CO -0.00 -0.22 -0.08 0.54 0.00 0.00 0.00 179.25 179.48 3n3s n ARG 433 N -3.52 0.30 -2.82 0.00 1.74 0.82 -4.86 116.66 108.33 3n3s n ARG 433 Ca -0.00 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 3n3s n ARG 433 Cb 0.27 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 3n3s n ARG 433 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3n3s s TYR 434 N -2.74 3.55 0.19 -1.55 1.51 -0.29 -4.61 117.35 113.41 3n3s s TYR 434 Ca 0.22 1.48 0.09 0.00 -1.01 0.00 0.00 57.07 57.85 3n3s s TYR 434 Cb 0.19 -3.05 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 3n3s s TYR 434 CO 0.51 -0.10 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.24 3n3s s LEU 435 N 1.48 2.93 0.00 -1.29 1.43 -0.29 -4.91 118.68 118.03 3n3s s LEU 435 Ca 0.45 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 3n3s s LEU 435 Cb -0.19 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3n3s s LEU 435 CO 0.20 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3n3s n GLY 436 N 0.02 0.62 0.44 -3.19 0.00 -1.26 -0.97 105.19 100.84 3n3s n GLY 436 Ca -0.11 -2.13 0.14 0.00 0.00 0.00 0.00 46.02 43.92 3n3s n GLY 436 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3n3s n PRO 437 N 0.13 1.61 -0.13 1.61 -0.04 -1.26 -3.94 135.00 132.97 3n3s n PRO 437 Ca 0.00 -0.89 0.06 0.00 -0.04 0.00 0.00 63.50 62.63 3n3s n PRO 437 Cb 0.00 -1.47 0.12 0.00 -0.04 0.00 0.00 33.50 32.11 3n3s n PRO 437 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3n3s n GLU 438 N 0.08 2.44 -2.06 0.54 1.02 -1.26 -5.01 120.64 116.40 3n3s n GLU 438 Ca 0.19 -2.17 -0.42 0.00 -0.02 0.00 0.00 57.16 54.74 3n3s n GLU 438 Cb 0.33 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 3n3s n GLU 438 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3n3s s VAL 439 N -1.90 3.15 0.27 2.62 1.01 -1.04 -1.18 120.40 123.32 3n3s s VAL 439 Ca 0.22 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 3n3s s VAL 439 Cb 0.17 -3.46 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 3n3s s VAL 439 CO 0.05 0.03 1.52 -2.84 0.00 0.00 0.00 175.10 173.87 3n3s s PRO 440 N 1.80 4.19 0.27 2.72 0.02 -1.26 -4.91 135.00 137.84 3n3s s PRO 440 Ca 0.68 2.44 0.12 0.00 0.02 0.00 0.00 61.00 64.27 3n3s s PRO 440 Cb -0.38 -3.07 0.32 0.00 0.02 0.00 0.00 34.50 31.38 3n3s s PRO 440 CO 0.30 -0.53 1.57 0.00 -0.33 0.00 0.00 177.00 178.01 3n3s h ALA 441 N 5.04 0.86 -2.64 -1.55 0.00 -1.92 -3.44 119.26 115.61 3n3s h ALA 441 Ca -0.46 -0.57 -0.52 0.00 0.00 0.00 0.00 54.91 53.36 3n3s h ALA 441 Cb 1.22 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.96 3n3s h ALA 441 CO 0.79 0.78 0.97 -2.00 0.00 0.00 0.00 179.25 179.79 3n3s s GLU 442 N -3.42 4.16 -0.09 0.00 2.12 -1.26 -4.97 118.70 115.23 3n3s s GLU 442 Ca -0.00 2.52 -0.21 0.00 0.36 0.00 0.00 54.97 57.64 3n3s s GLU 442 Cb 0.12 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.36 3n3s s GLU 442 CO 0.75 -0.70 0.60 0.08 -0.54 0.00 0.00 175.26 175.45 3n3s s VAL 443 N 1.19 5.11 -0.06 3.70 1.01 -1.26 -5.05 120.40 125.04 3n3s s VAL 443 Ca 0.73 1.23 0.01 0.00 0.00 0.00 0.00 61.98 63.95 3n3s s VAL 443 Cb -0.48 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3n3s s VAL 443 CO 0.32 0.28 -0.06 -0.76 0.00 0.00 0.00 175.10 174.88 3n3s s LEU 444 N 0.74 3.20 0.41 3.92 1.43 -1.26 -5.00 118.68 122.12 3n3s s LEU 444 Ca 0.32 -0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 3n3s s LEU 444 Cb -0.17 -1.72 0.89 0.00 0.03 0.00 0.00 46.19 45.22 3n3s s LEU 444 CO 0.15 0.35 2.01 0.25 0.23 0.00 0.00 176.35 179.34 3n3s h LEU 445 N 5.15 0.48 -1.30 1.79 5.85 -1.96 -1.71 115.31 123.60 3n3s h LEU 445 Ca -0.49 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3n3s h LEU 445 Cb 1.17 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3n3s h LEU 445 CO 0.53 0.32 0.00 4.11 -0.34 0.00 0.00 178.44 183.06 3n3s h TRP 446 N 0.56 0.00 0.00 1.25 5.08 -1.95 -1.79 115.95 119.09 3n3s h TRP 446 Ca 0.23 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.20 3n3s h TRP 446 Cb 0.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 3n3s h TRP 446 CO -0.00 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 178.20 3n3s n GLN 447 N -2.67 0.63 -3.71 0.12 6.02 -0.64 -4.90 117.38 112.22 3n3s n GLN 447 Ca 0.01 0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.75 3n3s n GLN 447 Cb 0.23 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.02 3n3s n GLN 447 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3n3s n ASP 448 N -1.02 -2.88 -4.77 1.08 8.00 -0.67 -4.78 116.55 111.50 3n3s n ASP 448 Ca 0.15 -0.92 -0.31 0.00 0.71 0.00 0.00 54.79 54.42 3n3s n ASP 448 Cb 0.08 -3.71 0.08 0.00 -0.02 0.00 0.00 41.12 37.56 3n3s n ASP 448 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3n3s s PRO 449 N -5.97 2.34 -0.10 -0.24 0.04 -1.26 -5.02 135.00 124.80 3n3s s PRO 449 Ca 0.21 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.48 3n3s s PRO 449 Cb -0.06 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.58 3n3s s PRO 449 CO 0.84 -1.58 -0.20 0.42 0.04 0.00 0.00 177.00 176.52 3n3s s ILE 450 N -2.81 1.78 0.71 0.56 -1.09 -1.26 -4.82 121.20 114.27 3n3s s ILE 450 Ca 0.62 -0.84 -0.14 0.00 -2.23 0.00 0.00 60.65 58.06 3n3s s ILE 450 Cb -0.18 -1.57 0.03 0.00 -1.58 0.00 0.00 42.46 39.16 3n3s s ILE 450 CO 0.54 0.50 1.13 -2.84 -1.23 0.00 0.00 174.94 173.04 3n3s s PRO 451 N 0.56 2.45 0.57 2.79 0.02 -1.26 -4.97 135.00 135.16 3n3s s PRO 451 Ca -0.15 1.47 -0.19 0.00 0.02 0.00 0.00 61.00 62.15 3n3s s PRO 451 Cb -0.17 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.41 3n3s s PRO 451 CO 0.05 -1.54 1.19 0.00 -0.33 0.00 0.00 177.00 176.37 3n3s s ALA 452 N -2.34 2.61 -0.14 -1.55 0.00 -1.26 -4.75 121.76 114.33 3n3s s ALA 452 Ca 0.68 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 3n3s s ALA 452 Cb -0.22 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 3n3s s ALA 452 CO 0.45 -1.03 0.32 0.08 0.00 0.00 0.00 175.76 175.58 3n3s s VAL 453 N -1.63 5.28 -0.14 0.00 1.01 -1.26 -4.98 120.40 118.68 3n3s s VAL 453 Ca 0.75 0.60 0.17 0.00 0.00 0.00 0.00 61.98 63.50 3n3s s VAL 453 Cb -0.29 -3.65 0.30 0.00 0.00 0.00 0.00 36.38 32.75 3n3s s VAL 453 CO 0.32 0.40 1.16 -0.90 0.00 0.00 0.00 175.10 176.07 3n3s n ASP 454 N 3.43 2.08 -4.00 3.32 3.85 -1.26 -5.04 116.55 118.94 3n3s n ASP 454 Ca -0.12 -3.19 -0.09 0.00 -0.71 0.00 0.00 54.79 50.68 3n3s n ASP 454 Cb 0.52 -0.44 -0.08 0.00 -1.35 0.00 0.00 41.12 39.77 3n3s n ASP 454 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 3n3s s HIS 455 N -2.77 0.47 0.54 2.11 -3.43 -1.26 -5.12 115.29 105.82 3n3s s HIS 455 Ca 0.32 -0.87 -0.20 0.00 -0.80 0.00 0.00 55.06 53.51 3n3s s HIS 455 Cb 0.29 -0.19 -0.06 0.00 -1.43 0.00 0.00 32.58 31.18 3n3s s HIS 455 CO 0.01 -0.60 1.12 -2.14 -2.00 0.00 0.00 174.74 171.13 3n3s s PRO 456 N -3.96 3.41 0.29 -0.38 0.02 -1.26 -4.93 135.00 128.19 3n3s s PRO 456 Ca 0.15 1.58 -0.03 0.00 0.02 0.00 0.00 61.00 62.73 3n3s s PRO 456 Cb 0.05 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.51 3n3s s PRO 456 CO -0.03 -0.79 0.52 -0.51 -0.33 0.00 0.00 177.00 175.86 3n3s s LEU 457 N -3.75 4.08 0.53 -5.54 1.43 -1.26 -3.32 118.68 110.85 3n3s s LEU 457 Ca 0.72 0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 3n3s s LEU 457 Cb -0.23 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 3n3s s LEU 457 CO 0.26 -0.19 1.30 0.27 0.23 0.00 0.00 176.35 178.22 3n3s s ILE 458 N -2.10 2.36 0.25 -0.59 -4.36 -1.26 -4.95 121.20 110.56 3n3s s ILE 458 Ca 0.42 0.27 0.04 0.00 -0.26 0.00 0.00 60.65 61.11 3n3s s ILE 458 Cb -0.11 -3.13 0.04 0.00 1.25 0.00 0.00 42.46 40.51 3n3s s ILE 458 CO 0.31 -0.01 0.30 -0.90 0.24 0.00 0.00 174.94 174.88 3n3s n ASP 459 N -0.98 1.21 -0.15 4.36 5.68 -1.26 -4.87 116.55 120.55 3n3s n ASP 459 Ca 0.10 -1.74 -0.04 0.00 -0.50 0.00 0.00 54.79 52.61 3n3s n ASP 459 Cb 0.46 -0.13 0.16 0.00 -1.14 0.00 0.00 41.12 40.47 3n3s n ASP 459 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n3s h ALA 460 N 0.45 1.15 -0.48 2.12 0.00 -1.99 -0.96 119.26 119.56 3n3s h ALA 460 Ca -0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 3n3s h ALA 460 Cb 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3n3s h ALA 460 CO 0.20 0.57 -0.14 0.00 0.00 0.00 0.00 179.25 179.87 3n3s h ALA 461 N 1.28 0.85 -0.61 0.00 0.00 -1.99 0.24 119.26 119.03 3n3s h ALA 461 Ca 0.18 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3n3s h ALA 461 Cb 0.34 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3n3s h ALA 461 CO 0.00 0.65 0.24 -0.44 0.00 0.00 0.00 179.25 179.69 3n3s h ASP 462 N 0.80 0.85 -0.57 0.00 3.32 -1.83 -0.15 116.42 118.84 3n3s h ASP 462 Ca 0.12 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3n3s h ASP 462 Cb 0.68 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3n3s h ASP 462 CO 0.05 0.79 0.21 0.00 -1.72 0.00 0.00 179.24 178.57 3n3s h ALA 463 N 1.09 0.74 -0.72 3.45 0.00 -0.82 -0.14 119.26 122.85 3n3s h ALA 463 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3n3s h ALA 463 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3n3s h ALA 463 CO -0.02 0.37 0.34 0.00 0.00 0.00 0.00 179.25 179.95 3n3s h ALA 464 N 1.06 1.25 -0.33 0.00 0.00 -0.63 -0.56 119.26 120.05 3n3s h ALA 464 Ca 0.19 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3n3s h ALA 464 Cb 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3n3s h ALA 464 CO -0.01 0.58 -0.43 1.49 0.00 0.00 0.00 179.25 180.87 3n3s h GLU 465 N 1.02 0.88 -0.52 0.00 4.81 -0.49 -2.20 114.58 118.08 3n3s h GLU 465 Ca 0.25 -0.50 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 3n3s h GLU 465 Cb 0.10 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3n3s h GLU 465 CO -0.03 1.14 0.06 -0.07 -0.73 0.00 0.00 179.01 179.38 3n3s h LEU 466 N 0.67 0.85 -0.95 1.64 3.38 -0.80 -1.32 115.31 118.78 3n3s h LEU 466 Ca 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3n3s h LEU 466 Cb 1.03 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3n3s h LEU 466 CO 0.10 0.91 0.52 0.11 0.09 0.00 0.00 178.44 180.18 3n3s h LYS 467 N 0.76 1.25 -0.39 1.13 1.57 -0.98 0.44 116.57 120.36 3n3s h LYS 467 Ca 0.16 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3n3s h LYS 467 Cb 0.44 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3n3s h LYS 467 CO 0.01 0.90 -0.31 0.00 -0.57 0.00 0.00 179.45 179.48 3n3s h ALA 468 N 1.31 0.73 -0.57 3.86 0.00 -1.07 -1.62 119.26 121.90 3n3s h ALA 468 Ca 0.32 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3n3s h ALA 468 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3n3s h ALA 468 CO -0.06 0.66 0.00 0.87 0.00 0.00 0.00 179.25 180.73 3n3s h LYS 469 N 0.71 1.00 -0.71 0.00 1.79 -0.90 -0.26 116.57 118.20 3n3s h LYS 469 Ca 0.08 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 3n3s h LYS 469 Cb 0.86 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 3n3s h LYS 469 CO 0.08 0.98 0.46 0.28 -1.08 0.00 0.00 179.45 180.16 3n3s h VAL 470 N 0.91 1.19 0.00 0.50 2.07 -0.45 -2.50 116.25 117.98 3n3s h VAL 470 Ca 0.17 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 3n3s h VAL 470 Cb 0.53 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3n3s h VAL 470 CO 0.03 0.19 -0.49 -0.07 0.02 0.00 0.00 177.57 177.25 3n3s h LEU 471 N 0.96 0.00 -0.43 2.57 3.38 -0.88 -2.79 115.31 118.12 3n3s h LEU 471 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3n3s h LEU 471 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3n3s h LEU 471 CO -0.05 0.49 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3n3s h ALA 472 N 1.51 1.00 0.00 1.53 0.00 -0.90 -3.11 119.26 119.29 3n3s h ALA 472 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n3s h ALA 472 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3n3s h ALA 472 CO 0.06 0.00 -0.00 0.66 0.00 0.00 0.00 179.25 179.97 3n3s h SER 473 N 0.00 0.00 0.00 0.00 4.64 -1.15 -3.46 113.55 113.58 3n3s h SER 473 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3s h SER 473 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3n3s h SER 473 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3n3s n GLY 474 N -0.23 0.77 3.75 -0.77 0.00 -1.17 -5.05 105.19 102.49 3n3s n GLY 474 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3n3s n GLY 474 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 475 N 0.00 4.37 0.65 0.99 1.43 -1.26 -4.98 118.68 119.88 3n3s s LEU 475 Ca 0.00 2.79 -0.06 0.00 -1.03 0.00 0.00 54.13 55.83 3n3s s LEU 475 Cb 0.00 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.63 3n3s s LEU 475 CO 0.00 -0.77 0.95 0.42 0.23 0.00 0.00 176.35 177.18 3n3s s THR 476 N -0.19 2.85 0.12 5.49 -4.23 -1.26 -4.86 115.64 113.56 3n3s s THR 476 Ca 0.59 -0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.70 3n3s s THR 476 Cb -0.44 -3.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 3n3s s THR 476 CO 0.47 -0.18 1.72 0.58 -0.54 0.00 0.00 174.62 176.67 3n3s h VAL 477 N -0.38 0.85 -0.69 2.29 2.07 -1.91 -0.85 116.25 117.64 3n3s h VAL 477 Ca -0.45 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3n3s h VAL 477 Cb 1.29 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3n3s h VAL 477 CO 0.60 0.00 0.44 -1.28 0.02 0.00 0.00 177.57 177.35 3n3s h SER 478 N 0.03 0.72 -0.73 0.57 0.87 -1.87 -0.17 113.55 112.97 3n3s h SER 478 Ca 0.08 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3n3s h SER 478 Cb 0.11 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 3n3s h SER 478 CO -0.16 0.50 0.26 1.56 -0.53 0.00 0.00 176.83 178.47 3n3s h GLN 479 N 0.86 1.11 -0.09 2.24 4.20 -1.73 -1.24 115.11 120.46 3n3s h GLN 479 Ca 0.28 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3n3s h GLN 479 Cb 0.01 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 3n3s h GLN 479 CO -0.10 0.93 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.90 3n3s h LEU 480 N 1.06 0.16 -0.27 1.46 3.38 -0.86 -1.82 115.31 118.44 3n3s h LEU 480 Ca 0.24 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3n3s h LEU 480 Cb 0.25 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3n3s h LEU 480 CO -0.01 0.47 -0.42 0.58 0.09 0.00 0.00 178.44 179.14 3n3s h VAL 481 N -0.15 1.30 -0.92 1.22 2.07 -1.05 -2.22 116.25 116.50 3n3s h VAL 481 Ca 0.02 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 65.96 3n3s h VAL 481 Cb 0.39 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3n3s h VAL 481 CO 0.01 0.52 0.60 0.28 0.02 0.00 0.00 177.57 179.00 3n3s h SER 482 N 0.50 1.01 -0.03 0.57 0.02 -1.21 0.48 113.55 114.89 3n3s h SER 482 Ca 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3n3s h SER 482 Cb 1.02 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 3n3s h SER 482 CO 0.10 0.70 -0.04 0.74 -1.14 0.00 0.00 176.83 177.18 3n3s h THR 483 N 1.18 1.40 -0.46 -2.27 2.02 -1.25 0.96 112.91 114.49 3n3s h THR 483 Ca 0.36 -1.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.22 3n3s h THR 483 Cb -0.02 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3n3s h THR 483 CO -0.11 0.33 -0.06 0.00 0.37 0.00 0.00 175.52 176.05 3n3s h ALA 484 N 0.51 1.04 -0.54 6.16 0.00 -1.31 -0.97 119.26 124.14 3n3s h ALA 484 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3n3s h ALA 484 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3n3s h ALA 484 CO 0.01 0.59 0.09 2.35 0.00 0.00 0.00 179.25 182.29 3n3s h TRP 485 N 0.73 0.95 -0.78 0.00 2.91 -0.75 -1.33 115.95 117.68 3n3s h TRP 485 Ca 0.13 -0.13 0.03 0.00 1.13 0.00 0.00 58.89 60.06 3n3s h TRP 485 Cb 0.53 -0.26 -0.05 0.00 -0.51 0.00 0.00 29.16 28.87 3n3s h TRP 485 CO 0.03 0.84 0.49 0.00 -1.03 0.00 0.00 178.44 178.77 3n3s h ALA 486 N 0.99 1.03 -0.34 2.65 0.00 -0.18 -0.49 119.26 122.92 3n3s h ALA 486 Ca 0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3n3s h ALA 486 Cb 0.40 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3n3s h ALA 486 CO 0.01 0.30 -0.39 0.00 0.00 0.00 0.00 179.25 179.17 3n3s h ALA 487 N 1.33 0.50 0.00 0.00 0.00 -1.05 -3.35 119.26 116.70 3n3s h ALA 487 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n3s h ALA 487 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3n3s h ALA 487 CO -0.12 0.60 -1.01 0.00 0.00 0.00 0.00 179.25 178.73 3n3s n ALA 488 N -2.54 2.63 0.98 0.00 0.00 -0.51 -2.91 120.51 118.16 3n3s n ALA 488 Ca -0.03 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.26 3n3s n ALA 488 Cb 0.54 -1.09 0.32 0.00 0.00 0.00 0.00 19.45 19.22 3n3s n ALA 488 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3n3s n SER 489 N -2.55 2.11 0.12 0.00 3.41 -0.22 -2.71 113.62 113.78 3n3s n SER 489 Ca 0.00 -1.80 0.12 0.00 -0.26 0.00 0.00 58.87 56.93 3n3s n SER 489 Cb 0.53 -0.15 0.46 0.00 -0.26 0.00 0.00 64.21 64.80 3n3s n SER 489 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3n3s n THR 490 N 0.62 0.74 -1.94 6.66 -2.24 -1.26 -4.86 114.28 112.00 3n3s n THR 490 Ca 0.16 0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.59 3n3s n THR 490 Cb 0.39 -0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 67.65 3n3s n THR 490 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3n3s s PHE 491 N -3.25 2.81 -0.03 4.78 5.36 -1.10 -4.22 117.98 122.33 3n3s s PHE 491 Ca 0.06 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 57.27 3n3s s PHE 491 Cb 0.10 -3.88 0.02 0.00 -0.34 0.00 0.00 43.02 38.93 3n3s s PHE 491 CO 0.46 -2.57 -0.02 -0.98 -1.46 0.00 0.00 175.22 170.65 3n3s s ARG 492 N -1.74 0.51 0.00 10.12 1.70 0.03 -4.45 118.95 125.11 3n3s s ARG 492 Ca 0.52 -0.02 0.29 0.00 -0.47 0.00 0.00 55.73 56.05 3n3s s ARG 492 Cb -0.44 -0.60 1.19 0.00 -0.57 0.00 0.00 34.95 34.53 3n3s s ARG 492 CO 0.57 -0.09 1.85 0.41 -1.08 0.00 0.00 175.30 176.95 3n3s n GLY 493 N 3.97 -1.12 0.07 3.88 0.00 0.96 -0.63 105.19 112.32 3n3s n GLY 493 Ca -0.25 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 3n3s n GLY 493 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3n3s h SER 494 N 0.32 0.11 0.00 1.61 4.64 -1.84 -3.32 113.55 115.08 3n3s h SER 494 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3n3s h SER 494 Cb 0.39 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3n3s h SER 494 CO 0.00 0.21 0.00 -0.90 -0.87 0.00 0.00 176.83 175.27 3n3s n ASP 495 N -4.96 1.79 -2.36 4.97 5.75 -1.21 -4.72 116.55 115.81 3n3s n ASP 495 Ca -0.06 -1.88 -0.17 0.00 -0.01 0.00 0.00 54.79 52.67 3n3s n ASP 495 Cb 0.09 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 3n3s n ASP 495 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3n3s n LYS 496 N -0.44 -1.92 -2.62 0.11 5.02 0.19 -3.25 118.16 115.25 3n3s n LYS 496 Ca 0.00 0.82 -0.25 0.00 -2.02 0.00 0.00 58.31 56.85 3n3s n LYS 496 Cb 0.27 -5.43 0.02 0.00 -0.02 0.00 0.00 35.03 29.87 3n3s n LYS 496 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3n3s s ARG 497 N -4.92 3.01 0.50 1.97 0.52 -1.21 -4.19 118.95 114.62 3n3s s ARG 497 Ca 0.00 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 3n3s s ARG 497 Cb 0.00 -2.38 0.00 0.00 0.52 0.00 0.00 34.95 33.09 3n3s s ARG 497 CO 0.00 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.21 3n3s n GLY 498 N -2.38 -2.27 0.00 -3.53 0.00 -1.26 -0.79 105.19 94.95 3n3s n GLY 498 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3n3s n GLY 498 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 499 N -0.36 1.61 0.12 -0.02 0.00 -1.26 -4.52 105.19 100.76 3n3s n GLY 499 Ca 0.00 -2.03 0.13 0.00 0.00 0.00 0.00 46.02 44.12 3n3s n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s h ALA 500 N 0.00 0.91 -2.89 4.61 0.00 -1.73 -3.43 119.26 116.73 3n3s h ALA 500 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3n3s h ALA 500 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.88 3n3s h ALA 500 CO 0.00 0.00 0.78 1.21 0.00 0.00 0.00 179.25 181.24 3n3s s ASN 501 N -4.81 6.44 0.00 0.00 3.84 -1.26 -2.10 114.94 117.05 3n3s s ASN 501 Ca 0.09 2.94 0.00 0.00 0.21 0.00 0.00 52.86 56.10 3n3s s ASN 501 Cb 0.11 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 3n3s s ASN 501 CO 0.64 -0.82 0.00 0.61 -2.79 0.00 0.00 177.10 174.74 3n3s n GLY 502 N 1.02 2.20 3.98 1.21 0.00 -0.01 -4.56 105.19 109.03 3n3s n GLY 502 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3n3s n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 503 N -0.18 -1.43 1.07 4.61 0.00 -0.89 0.30 120.51 123.98 3n3s n ALA 503 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3n3s n ALA 503 Cb 0.00 -3.66 0.58 0.00 0.00 0.00 0.00 19.45 16.37 3n3s n ALA 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n3s n ARG 504 N -4.54 0.27 0.29 0.00 1.74 -1.26 -2.22 116.66 110.94 3n3s n ARG 504 Ca -0.02 0.07 0.19 0.00 -0.77 0.00 0.00 57.85 57.32 3n3s n ARG 504 Cb 0.55 -1.50 0.86 0.00 -1.02 0.00 0.00 32.46 31.35 3n3s n ARG 504 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3n3s h ILE 505 N 0.00 0.00 -0.00 0.55 2.10 -1.92 -1.15 117.51 117.08 3n3s h ILE 505 Ca 0.00 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.61 3n3s h ILE 505 Cb 0.26 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 3n3s h ILE 505 CO 0.00 0.00 -0.29 -2.11 -1.08 0.00 0.00 178.15 174.67 3n3s n ARG 506 N -3.05 0.50 -3.74 2.19 1.85 -0.94 -2.74 116.66 110.72 3n3s n ARG 506 Ca -0.01 -0.26 -0.22 0.00 -1.00 0.00 0.00 57.85 56.37 3n3s n ARG 506 Cb 0.22 -1.49 -0.04 0.00 -1.05 0.00 0.00 32.46 30.10 3n3s n ARG 506 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3n3s s LEU 507 N -2.68 3.35 0.40 2.89 1.43 -0.44 -4.81 118.68 118.83 3n3s s LEU 507 Ca 0.20 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 3n3s s LEU 507 Cb 0.19 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 3n3s s LEU 507 CO 0.57 -0.57 1.08 0.00 0.23 0.00 0.00 176.35 177.65 3n3s s ALA 508 N -2.48 3.09 -1.66 4.21 0.00 -1.26 -1.39 121.76 122.28 3n3s s ALA 508 Ca 0.45 0.76 0.25 0.00 0.00 0.00 0.00 51.96 53.42 3n3s s ALA 508 Cb -0.02 -3.30 0.46 0.00 0.00 0.00 0.00 23.12 20.26 3n3s s ALA 508 CO 0.26 -0.30 1.38 -0.35 0.00 0.00 0.00 175.76 176.76 3n3s n PRO 509 N -0.05 0.75 -0.09 0.00 -0.04 -1.26 -4.81 135.00 129.49 3n3s n PRO 509 Ca 0.05 -0.51 0.05 0.00 -0.04 0.00 0.00 63.50 63.05 3n3s n PRO 509 Cb 0.49 -1.49 0.38 0.00 -0.04 0.00 0.00 33.50 32.84 3n3s n PRO 509 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3n3s h GLN 510 N 1.24 0.65 0.00 0.54 4.20 -1.64 -1.35 115.11 118.75 3n3s h GLN 510 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3n3s h GLN 510 Cb 0.57 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3n3s h GLN 510 CO 0.00 0.43 0.00 1.57 -0.67 0.00 0.00 178.83 180.16 3n3s h LYS 511 N 0.67 0.00 -0.26 1.46 2.10 -1.03 -2.31 116.57 117.20 3n3s h LYS 511 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 3n3s h LYS 511 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3n3s h LYS 511 CO -0.06 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.14 3n3s n ASP 512 N -2.89 2.67 -4.76 7.07 8.00 -0.52 -4.43 116.55 121.69 3n3s n ASP 512 Ca -0.01 -1.84 -0.41 0.00 0.71 0.00 0.00 54.79 53.24 3n3s n ASP 512 Cb 0.20 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3n3s n ASP 512 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3n3s s TRP 513 N -1.00 2.96 0.25 1.24 0.51 -0.87 -4.86 118.94 117.17 3n3s s TRP 513 Ca 0.21 1.20 -0.05 0.00 -2.12 0.00 0.00 56.10 55.35 3n3s s TRP 513 Cb 0.12 -3.80 0.34 0.00 -0.81 0.00 0.00 33.47 29.32 3n3s s TRP 513 CO 0.16 -2.39 1.87 1.49 -0.51 0.00 0.00 176.95 177.56 3n3s h GLU 514 N 4.05 1.02 -0.05 4.98 4.81 -1.93 -0.70 114.58 126.76 3n3s h GLU 514 Ca -0.48 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 3n3s h GLU 514 Cb 1.22 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 3n3s h GLU 514 CO 0.71 0.68 0.05 0.00 -0.73 0.00 0.00 179.01 179.71 3n3s h ALA 515 N 1.41 1.74 -0.01 2.92 0.00 -1.91 -1.61 119.26 121.81 3n3s h ALA 515 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3n3s h ALA 515 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3n3s h ALA 515 CO -0.16 -0.08 -0.16 0.09 0.00 0.00 0.00 179.25 178.94 3n3s n ASN 516 N -4.05 0.69 -3.14 0.00 3.02 -0.28 -4.89 115.26 106.61 3n3s n ASN 516 Ca -0.02 -0.70 -0.03 0.00 -0.03 0.00 0.00 54.58 53.80 3n3s n ASN 516 Cb 0.15 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3n3s n ASN 516 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3s n GLN 517 N -0.83 -1.36 -0.32 3.52 6.02 -0.61 -4.32 117.38 119.49 3n3s n GLN 517 Ca 0.14 1.41 0.01 0.00 -0.01 0.00 0.00 57.00 58.55 3n3s n GLN 517 Cb 0.31 -5.43 0.15 0.00 1.02 0.00 0.00 30.24 26.29 3n3s n GLN 517 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3n3s h PRO 518 N 0.34 0.94 -0.37 -1.09 0.11 -1.78 0.59 132.00 130.75 3n3s h PRO 518 Ca -0.08 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 3n3s h PRO 518 Cb 1.05 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3n3s h PRO 518 CO 0.31 0.62 0.16 0.93 -0.21 0.00 0.00 178.00 179.81 3n3s h GLU 519 N 0.97 0.54 -0.61 1.05 5.08 -1.89 -1.18 114.58 118.54 3n3s h GLU 519 Ca 0.39 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3n3s h GLU 519 Cb 0.21 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3n3s h GLU 519 CO -0.19 0.50 0.26 0.37 -1.00 0.00 0.00 179.01 178.95 3n3s h GLN 520 N 0.45 0.90 -0.48 2.33 4.15 -1.65 -2.84 115.11 117.98 3n3s h GLN 520 Ca 0.12 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 3n3s h GLN 520 Cb 0.15 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3n3s h GLN 520 CO -0.01 0.76 0.28 1.25 -1.93 0.00 0.00 178.83 179.18 3n3s h LEU 521 N 0.85 0.58 -0.95 -2.39 5.85 -0.82 -1.48 115.31 116.95 3n3s h LEU 521 Ca 0.21 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3n3s h LEU 521 Cb 0.18 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3n3s h LEU 521 CO -0.02 0.48 0.60 0.00 -0.34 0.00 0.00 178.44 179.16 3n3s h ALA 522 N 1.13 1.31 -0.47 1.25 0.00 -1.14 0.48 119.26 121.81 3n3s h ALA 522 Ca 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3n3s h ALA 522 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3n3s h ALA 522 CO -0.03 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.66 3n3s h ALA 523 N 1.43 0.63 -0.15 0.00 0.00 -1.20 -0.64 119.26 119.34 3n3s h ALA 523 Ca 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3n3s h ALA 523 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3n3s h ALA 523 CO -0.17 0.37 0.04 0.28 0.00 0.00 0.00 179.25 179.77 3n3s h VAL 524 N 0.65 1.19 -0.62 0.00 2.07 -0.78 -2.72 116.25 116.05 3n3s h VAL 524 Ca 0.14 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 3n3s h VAL 524 Cb 0.42 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3n3s h VAL 524 CO 0.01 0.18 0.14 -0.07 0.02 0.00 0.00 177.57 177.85 3n3s h LEU 525 N 0.05 0.91 -1.12 2.57 3.38 -0.76 -0.99 115.31 119.35 3n3s h LEU 525 Ca 0.05 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3n3s h LEU 525 Cb 0.23 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3n3s h LEU 525 CO -0.00 0.88 0.60 -0.08 0.09 0.00 0.00 178.44 179.93 3n3s h GLU 526 N 0.92 1.15 -0.18 1.13 4.81 -1.03 0.10 114.58 121.48 3n3s h GLU 526 Ca 0.20 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3n3s h GLU 526 Cb 0.34 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 3n3s h GLU 526 CO 0.00 0.76 -0.21 1.15 -0.73 0.00 0.00 179.01 179.97 3n3s h THR 527 N 1.18 1.34 -0.83 0.32 2.02 -1.11 -1.63 112.91 114.19 3n3s h THR 527 Ca 0.34 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 3n3s h THR 527 Cb -0.07 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3n3s h THR 527 CO -0.09 0.42 0.40 -0.07 0.37 0.00 0.00 175.52 176.55 3n3s h LEU 528 N 0.11 1.08 -1.52 2.58 3.38 -1.02 -1.69 115.31 118.23 3n3s h LEU 528 Ca 0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3n3s h LEU 528 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3n3s h LEU 528 CO 0.05 0.91 -0.08 -0.08 0.09 0.00 0.00 178.44 179.34 3n3s h GLU 529 N 1.18 0.21 -0.24 1.13 4.57 -0.60 0.14 114.58 120.98 3n3s h GLU 529 Ca 0.28 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.28 3n3s h GLU 529 Cb 0.12 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3n3s h GLU 529 CO -0.04 0.31 -0.41 0.00 -1.18 0.00 0.00 179.01 177.69 3n3s h ALA 530 N 1.72 0.37 -0.67 2.92 0.00 -0.74 0.09 119.26 122.95 3n3s h ALA 530 Ca 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3n3s h ALA 530 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3n3s h ALA 530 CO 0.01 0.48 0.44 0.82 0.00 0.00 0.00 179.25 181.00 3n3s h ILE 531 N 0.42 1.17 -0.21 0.00 2.04 -0.79 -1.74 117.51 118.41 3n3s h ILE 531 Ca 0.02 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3n3s h ILE 531 Cb 1.00 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3n3s h ILE 531 CO 0.09 0.17 0.05 -0.09 0.00 0.00 0.00 178.15 178.36 3n3s h ARG 532 N 0.90 0.34 -0.61 2.37 2.43 -0.49 -0.77 114.38 118.55 3n3s h ARG 532 Ca 0.24 -0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.42 3n3s h ARG 532 Cb -0.10 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.34 3n3s h ARG 532 CO -0.05 0.47 0.25 1.15 -1.51 0.00 0.00 179.97 180.28 3n3s h THR 533 N 0.15 0.81 -0.41 0.20 2.02 -0.76 0.14 112.91 115.07 3n3s h THR 533 Ca 0.06 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3n3s h THR 533 Cb 0.29 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3n3s h THR 533 CO 0.00 0.08 0.11 0.00 0.37 0.00 0.00 175.52 176.08 3n3s h ALA 534 N 1.40 0.54 -0.30 6.16 0.00 -1.22 0.56 119.26 126.39 3n3s h ALA 534 Ca 0.30 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3n3s h ALA 534 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3n3s h ALA 534 CO -0.28 0.20 -0.01 0.35 0.00 0.00 0.00 179.25 179.51 3n3s h PHE 535 N 0.52 0.59 -0.36 0.00 3.57 -0.82 -2.93 116.94 117.51 3n3s h PHE 535 Ca 0.13 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 3n3s h PHE 535 Cb 0.29 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3n3s h PHE 535 CO 0.02 0.69 -0.27 -0.91 -2.23 0.00 0.00 178.31 175.60 3n3s h ASN 536 N 0.33 0.77 -0.75 0.41 2.35 -0.68 -2.74 115.58 115.27 3n3s h ASN 536 Ca 0.08 -0.30 0.17 0.00 -0.55 0.00 0.00 56.30 55.71 3n3s h ASN 536 Cb 0.46 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 3n3s h ASN 536 CO 0.02 1.00 0.51 1.23 -1.65 0.00 0.00 177.43 178.54 3n3s h GLY 537 N 0.96 0.54 -1.26 2.83 0.00 -0.83 -2.64 103.07 102.67 3n3s h GLY 537 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3n3s h GLY 537 CO 0.06 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.64 3n3s n ALA 538 N -2.56 2.50 -2.10 3.60 0.00 -1.04 -4.93 120.51 115.99 3n3s n ALA 538 Ca 0.15 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.64 3n3s n ALA 538 Cb 0.61 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 3n3s n ALA 538 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3n3s s GLN 539 N -1.87 4.05 0.25 0.00 -1.52 -1.00 -5.09 119.66 114.49 3n3s s GLN 539 Ca 0.34 0.74 0.06 0.00 -1.95 0.00 0.00 55.36 54.55 3n3s s GLN 539 Cb 0.20 -2.43 -0.03 0.00 -0.22 0.00 0.00 33.01 30.53 3n3s s GLN 539 CO 0.31 0.15 0.26 1.03 -0.25 0.00 0.00 175.29 176.79 3n3s s ARG 540 N -2.94 3.12 0.00 2.91 1.81 -1.26 -4.73 118.95 117.86 3n3s s ARG 540 Ca 0.54 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.60 3n3s s ARG 540 Cb -0.11 -2.69 0.00 0.00 -0.45 0.00 0.00 34.95 31.71 3n3s s ARG 540 CO 0.17 0.40 0.00 0.41 -0.68 0.00 0.00 175.30 175.60 3n3s n GLY 541 N -1.28 0.76 2.74 -3.53 0.00 -1.26 -3.30 105.19 99.31 3n3s n GLY 541 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3n3s n GLY 541 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 542 N -2.31 0.71 3.72 -0.02 0.00 -1.26 -4.70 105.19 101.33 3n3s n GLY 542 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3n3s n GLY 542 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3n3s n LYS 543 N -2.20 2.40 -3.71 1.61 4.81 -1.21 -4.18 118.16 115.68 3n3s n LYS 543 Ca 0.00 0.85 -0.10 0.00 -0.87 0.00 0.00 58.31 58.19 3n3s n LYS 543 Cb 0.02 -2.55 -0.05 0.00 0.02 0.00 0.00 35.03 32.47 3n3s n LYS 543 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3n3s s GLN 544 N -1.02 1.08 -0.07 1.64 -2.07 -1.21 -4.77 119.66 113.25 3n3s s GLN 544 Ca 0.62 -0.81 0.04 0.00 -1.82 0.00 0.00 55.36 53.39 3n3s s GLN 544 Cb -0.55 0.45 -0.02 0.00 -1.09 0.00 0.00 33.01 31.80 3n3s s GLN 544 CO 0.54 -0.42 -0.20 0.54 -1.32 0.00 0.00 175.29 174.44 3n3s s VAL 545 N -3.84 2.55 0.72 3.63 0.11 -1.26 -4.41 120.40 117.90 3n3s s VAL 545 Ca 0.05 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.10 3n3s s VAL 545 Cb 0.02 -1.98 0.02 0.00 -1.53 0.00 0.00 36.38 32.91 3n3s s VAL 545 CO -0.10 0.57 1.10 -0.94 -3.33 0.00 0.00 175.10 172.40 3n3s s SER 546 N -0.25 5.30 0.30 3.54 1.04 -1.26 -4.94 113.70 117.42 3n3s s SER 546 Ca 0.00 1.16 0.08 0.00 0.48 0.00 0.00 55.95 57.68 3n3s s SER 546 Cb -0.13 -1.95 0.47 0.00 0.10 0.00 0.00 66.02 64.51 3n3s s SER 546 CO 0.03 -1.44 1.70 0.25 0.98 0.00 0.00 173.24 174.76 3n3s h LEU 547 N -0.72 0.16 -0.33 2.42 5.85 -1.93 -1.39 115.31 119.37 3n3s h LEU 547 Ca -0.45 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3n3s h LEU 547 Cb 1.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3n3s h LEU 547 CO 0.63 0.60 0.12 0.00 -0.34 0.00 0.00 178.44 179.45 3n3s h ALA 548 N 1.41 0.43 -0.79 1.25 0.00 -1.88 0.15 119.26 119.84 3n3s h ALA 548 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n3s h ALA 548 Cb 0.86 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3n3s h ALA 548 CO 0.07 0.05 0.48 -0.44 0.00 0.00 0.00 179.25 179.40 3n3s h ASP 549 N 0.39 0.95 0.44 0.00 3.32 -1.74 -2.99 116.42 116.78 3n3s h ASP 549 Ca 0.11 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 3n3s h ASP 549 Cb 0.21 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3n3s h ASP 549 CO -0.01 0.73 -0.61 0.25 -1.72 0.00 0.00 179.24 177.89 3n3s h LEU 550 N 1.08 0.19 -0.48 1.55 5.85 -0.50 0.18 115.31 123.18 3n3s h LEU 550 Ca 0.28 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3n3s h LEU 550 Cb -0.04 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3n3s h LEU 550 CO -0.05 0.75 0.30 0.40 -0.34 0.00 0.00 178.44 179.50 3n3s h ILE 551 N 0.12 1.09 -0.19 4.05 2.04 -0.70 0.17 117.51 124.09 3n3s h ILE 551 Ca -0.01 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 3n3s h ILE 551 Cb 1.10 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3n3s h ILE 551 CO 0.09 0.11 -0.15 0.58 0.00 0.00 0.00 178.15 178.78 3n3s h VAL 552 N 0.61 1.32 -0.58 1.67 2.07 -1.34 -1.84 116.25 118.17 3n3s h VAL 552 Ca 0.18 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3n3s h VAL 552 Cb -0.03 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3n3s h VAL 552 CO -0.06 0.38 0.34 0.25 0.02 0.00 0.00 177.57 178.50 3n3s h LEU 553 N 0.12 0.70 -0.80 2.57 5.85 -0.51 -1.30 115.31 121.94 3n3s h LEU 553 Ca 0.04 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3n3s h LEU 553 Cb 0.67 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3n3s h LEU 553 CO 0.04 0.55 -0.12 0.00 -0.34 0.00 0.00 178.44 178.57 3n3s h ALA 554 N 1.57 0.99 -0.60 1.25 0.00 -0.44 -0.76 119.26 121.27 3n3s h ALA 554 Ca 0.21 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3n3s h ALA 554 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3n3s h ALA 554 CO -0.04 0.60 0.09 0.78 0.00 0.00 0.00 179.25 180.68 3n3s h GLY 555 N 0.97 1.09 0.32 0.00 0.00 -0.61 -0.79 103.07 104.06 3n3s h GLY 555 Ca 0.12 -0.73 0.13 0.00 0.00 0.00 0.00 47.33 46.85 3n3s h GLY 555 CO 0.04 0.68 0.50 0.00 0.00 0.00 0.00 176.54 177.75 3n3s h ALA 557 N 1.54 0.73 -0.33 0.00 0.00 -0.71 -0.71 119.26 119.79 3n3s h ALA 557 Ca 0.47 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3n3s h ALA 557 Cb 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3n3s h ALA 557 CO -0.32 0.67 0.15 0.78 0.00 0.00 0.00 179.25 180.53 3n3s h GLY 558 N 0.90 0.44 1.05 0.00 0.00 -0.58 0.13 103.07 105.01 3n3s h GLY 558 Ca 0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 3n3s h GLY 558 CO 0.06 0.08 0.08 -2.08 0.00 0.00 0.00 176.54 174.68 3n3s h VAL 559 N 0.32 1.26 -0.64 4.60 2.07 -0.69 -0.56 116.25 122.62 3n3s h VAL 559 Ca 0.14 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3n3s h VAL 559 Cb 0.07 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3n3s h VAL 559 CO -0.11 0.38 0.15 -0.33 0.02 0.00 0.00 177.57 177.68 3n3s h GLU 560 N 0.94 1.03 -0.76 1.57 5.08 -0.91 -0.90 114.58 120.63 3n3s h GLU 560 Ca 0.18 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3n3s h GLU 560 Cb 0.46 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3n3s h GLU 560 CO 0.02 0.94 0.30 0.37 -1.00 0.00 0.00 179.01 179.63 3n3s h GLN 561 N 0.95 1.14 -0.61 2.33 5.75 -0.58 -1.16 115.11 122.94 3n3s h GLN 561 Ca 0.20 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3n3s h GLN 561 Cb 0.38 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 3n3s h GLN 561 CO 0.00 0.93 0.18 0.00 -2.65 0.00 0.00 178.83 177.30 3n3s h ALA 562 N 1.15 1.17 -0.53 3.38 0.00 -0.69 0.26 119.26 124.01 3n3s h ALA 562 Ca 0.25 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3n3s h ALA 562 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3n3s h ALA 562 CO -0.02 0.57 -0.09 0.00 0.00 0.00 0.00 179.25 179.71 3n3s h ALA 563 N 1.30 0.72 -0.77 0.00 0.00 -0.92 -0.19 119.26 119.41 3n3s h ALA 563 Ca 0.20 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3n3s h ALA 563 Cb 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3n3s h ALA 563 CO -0.01 0.62 0.29 -0.22 0.00 0.00 0.00 179.25 179.94 3n3s h LYS 564 N 0.87 1.15 -0.74 0.00 3.64 -0.41 0.11 116.57 121.18 3n3s h LYS 564 Ca 0.14 -0.22 0.14 0.00 -1.27 0.00 0.00 60.65 59.44 3n3s h LYS 564 Cb 0.65 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 3n3s h LYS 564 CO 0.05 0.95 0.49 -0.91 -2.27 0.00 0.00 179.45 177.76 3n3s h ASN 565 N 1.11 0.42 0.14 4.20 2.35 -0.30 0.12 115.58 123.61 3n3s h ASN 565 Ca 0.25 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3n3s h ASN 565 Cb 0.24 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3n3s h ASN 565 CO -0.02 0.22 -0.03 0.00 -1.65 0.00 0.00 177.43 175.96 3n3s n ALA 566 N -2.51 2.67 -0.49 -0.83 0.00 -0.43 -4.92 120.51 114.00 3n3s n ALA 566 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3n3s n ALA 566 Cb 0.49 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3n3s n ALA 566 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3s n GLY 567 N 1.13 0.71 3.15 0.00 0.00 0.41 -5.02 105.19 105.58 3n3s n GLY 567 Ca 0.20 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 3n3s n GLY 567 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n3s s HIS 568 N -2.00 1.77 -0.31 1.61 3.76 0.24 -4.96 115.29 115.39 3n3s s HIS 568 Ca 0.00 -0.48 -0.12 0.00 -0.15 0.00 0.00 55.06 54.31 3n3s s HIS 568 Cb 0.00 -1.18 -0.03 0.00 1.11 0.00 0.00 32.58 32.48 3n3s s HIS 568 CO 0.00 -0.15 0.24 0.00 -0.85 0.00 0.00 174.74 173.99 3n3s s ALA 569 N -0.06 3.52 0.03 -1.40 0.00 -1.26 -1.94 121.76 120.64 3n3s s ALA 569 Ca -0.02 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3n3s s ALA 569 Cb -0.11 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 3n3s s ALA 569 CO 0.02 -0.76 -0.02 0.14 0.00 0.00 0.00 175.76 175.13 3n3s s VAL 570 N 1.80 0.14 -0.19 0.00 -7.23 -1.26 -5.06 120.40 108.61 3n3s s VAL 570 Ca 0.08 -1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 59.03 3n3s s VAL 570 Cb -0.17 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 3n3s s VAL 570 CO 0.11 -0.64 0.00 -0.89 -0.31 0.00 0.00 175.10 173.37 3n3s s THR 571 N -2.19 4.08 -0.15 5.32 2.01 -1.26 -4.83 115.64 118.62 3n3s s THR 571 Ca -0.09 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 3n3s s THR 571 Cb -0.05 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 3n3s s THR 571 CO -0.04 0.45 0.42 -0.69 -0.69 0.00 0.00 174.62 174.07 3n3s s VAL 572 N 0.75 5.21 0.70 3.82 1.01 -1.26 -5.04 120.40 125.60 3n3s s VAL 572 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.64 3n3s s VAL 572 Cb -0.14 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3n3s s VAL 572 CO 0.02 0.32 1.26 -2.84 0.00 0.00 0.00 175.10 173.86 3n3s s PRO 573 N 0.75 2.23 -0.12 2.72 0.02 -1.26 -5.03 135.00 134.31 3n3s s PRO 573 Ca 0.23 1.94 -0.09 0.00 0.02 0.00 0.00 61.00 63.09 3n3s s PRO 573 Cb -0.15 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.59 3n3s s PRO 573 CO 0.08 -1.81 0.30 0.12 -0.33 0.00 0.00 177.00 175.37 3n3s s PHE 574 N -1.69 -0.36 -0.20 6.54 5.36 -1.26 -4.93 117.98 121.45 3n3s s PHE 574 Ca 0.79 0.86 0.01 0.00 -0.96 0.00 0.00 56.93 57.63 3n3s s PHE 574 Cb -0.34 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.49 3n3s s PHE 574 CO 0.43 -0.19 -0.15 0.00 -1.46 0.00 0.00 175.22 173.85 3n3s s ALA 575 N 0.51 2.23 1.00 11.12 0.00 -1.26 -5.10 121.76 130.26 3n3s s ALA 575 Ca -0.03 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 3n3s s ALA 575 Cb -0.04 -1.26 0.21 0.00 0.00 0.00 0.00 23.12 22.03 3n3s s ALA 575 CO -0.03 -0.63 1.28 -1.25 0.00 0.00 0.00 175.76 175.14 3n3s s PRO 576 N 1.31 0.33 0.00 0.00 0.04 -1.26 -4.71 135.00 130.70 3n3s s PRO 576 Ca 0.01 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.71 3n3s s PRO 576 Cb -0.15 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3n3s s PRO 576 CO -0.10 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 174.71 3n3s n GLY 577 N -3.24 0.98 3.76 0.56 0.00 -1.26 -5.10 105.19 100.88 3n3s n GLY 577 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3n3s n GLY 577 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3s s ARG 578 N 0.00 2.49 0.32 1.61 0.52 -1.26 -4.93 118.95 117.70 3n3s s ARG 578 Ca 0.00 1.42 0.06 0.00 -0.52 0.00 0.00 55.73 56.69 3n3s s ARG 578 Cb 0.00 -1.91 -0.06 0.00 0.52 0.00 0.00 34.95 33.50 3n3s s ARG 578 CO 0.00 -1.50 -0.00 0.00 0.02 0.00 0.00 175.30 173.82 3n3s s ALA 579 N -2.40 2.51 -0.24 2.13 0.00 -1.26 -4.54 121.76 117.96 3n3s s ALA 579 Ca 0.67 -2.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 3n3s s ALA 579 Cb -0.21 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3n3s s ALA 579 CO 0.46 -0.17 0.13 -0.51 0.00 0.00 0.00 175.76 175.67 3n3s s ASP 580 N -3.51 5.82 0.29 0.00 1.01 -1.26 -0.83 116.67 118.19 3n3s s ASP 580 Ca 0.33 0.02 -0.12 0.00 0.71 0.00 0.00 52.55 53.50 3n3s s ASP 580 Cb 0.07 -2.05 -0.08 0.00 1.01 0.00 0.00 42.92 41.87 3n3s s ASP 580 CO 0.14 0.05 0.66 0.00 0.21 0.00 0.00 175.17 176.23 3n3s s ALA 581 N 1.15 3.43 0.56 5.23 0.00 0.15 -4.61 121.76 127.67 3n3s s ALA 581 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 3n3s s ALA 581 Cb -0.14 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 3n3s s ALA 581 CO 0.05 0.37 0.87 -1.54 0.00 0.00 0.00 175.76 175.51 3n3s s SER 582 N -2.41 5.83 0.23 0.00 1.04 -1.26 -4.86 113.70 112.26 3n3s s SER 582 Ca 0.51 0.81 -0.07 0.00 0.48 0.00 0.00 55.95 57.68 3n3s s SER 582 Cb -0.11 -1.91 0.31 0.00 0.10 0.00 0.00 66.02 64.41 3n3s s SER 582 CO 0.20 -0.90 1.81 -0.61 0.98 0.00 0.00 173.24 174.73 3n3s h GLN 583 N -0.05 0.74 0.00 4.02 5.75 -1.97 -2.27 115.11 121.32 3n3s h GLN 583 Ca -0.46 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.99 3n3s h GLN 583 Cb 1.24 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 3n3s h GLN 583 CO 0.61 0.49 -0.04 0.93 -2.65 0.00 0.00 178.83 178.16 3n3s h GLU 584 N 0.76 0.00 -0.67 1.69 3.07 -2.01 -0.63 114.58 116.79 3n3s h GLU 584 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 3n3s h GLU 584 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3n3s h GLU 584 CO -0.20 0.04 0.00 1.04 -1.40 0.00 0.00 179.01 178.49 3n3s n GLN 585 N -3.90 3.76 -3.90 2.33 6.02 -0.86 -4.85 117.38 115.98 3n3s n GLN 585 Ca -0.03 -2.33 -0.28 0.00 -0.01 0.00 0.00 57.00 54.36 3n3s n GLN 585 Cb 0.13 -2.01 -0.17 0.00 1.02 0.00 0.00 30.24 29.22 3n3s n GLN 585 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3n3s s THR 586 N -2.21 1.12 -0.49 5.09 2.01 -0.25 -4.24 115.64 116.68 3n3s s THR 586 Ca 0.41 -0.51 -0.26 0.00 0.31 0.00 0.00 61.69 61.64 3n3s s THR 586 Cb 0.30 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.62 3n3s s THR 586 CO 0.13 0.24 0.96 -0.62 -0.69 0.00 0.00 174.62 174.64 3n3s s ASP 587 N 1.65 6.47 0.25 3.53 -1.08 -1.26 -4.91 116.67 121.31 3n3s s ASP 587 Ca 0.02 0.03 -0.04 0.00 -0.52 0.00 0.00 52.55 52.05 3n3s s ASP 587 Cb -0.14 -2.46 0.29 0.00 -1.46 0.00 0.00 42.92 39.15 3n3s s ASP 587 CO -0.08 -1.13 1.78 0.58 0.52 0.00 0.00 175.17 176.85 3n3s h VAL 588 N 6.08 1.24 -0.19 1.11 2.07 -1.92 -1.51 116.25 123.14 3n3s h VAL 588 Ca -0.24 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 3n3s h VAL 588 Cb 1.07 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3n3s h VAL 588 CO 1.06 0.33 -0.19 -0.33 0.02 0.00 0.00 177.57 178.46 3n3s h GLU 589 N 0.90 0.46 -0.06 1.57 4.39 -1.98 -2.93 114.58 116.93 3n3s h GLU 589 Ca 0.19 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3n3s h GLU 589 Cb 0.33 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3n3s h GLU 589 CO 0.00 0.82 -0.09 1.03 -1.16 0.00 0.00 179.01 179.60 3n3s h SER 590 N 0.12 0.08 0.16 1.42 0.87 -1.95 -2.67 113.55 111.58 3n3s h SER 590 Ca 0.03 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3n3s h SER 590 Cb 0.73 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3n3s h SER 590 CO 0.05 0.19 -0.06 -0.03 -0.53 0.00 0.00 176.83 176.45 3n3s h MET 591 N 0.09 0.00 -0.97 2.24 1.85 -1.10 -3.28 114.93 113.76 3n3s h MET 591 Ca 0.02 0.00 0.16 0.00 -0.61 0.00 0.00 59.70 59.27 3n3s h MET 591 Cb 0.23 0.00 -0.09 0.00 0.43 0.00 0.00 31.60 32.17 3n3s h MET 591 CO 0.01 0.06 0.61 0.00 -0.40 0.00 0.00 176.91 177.19 3n3s h ALA 592 N 1.94 1.72 0.00 0.39 0.00 -1.34 -0.91 119.26 121.06 3n3s h ALA 592 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3n3s h ALA 592 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3n3s h ALA 592 CO 0.01 -0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.57 3n3s n VAL 593 N -4.65 0.90 1.45 0.00 0.24 -1.24 -2.32 118.33 112.71 3n3s n VAL 593 Ca 0.21 0.33 0.14 0.00 -2.04 0.00 0.00 64.34 62.98 3n3s n VAL 593 Cb 0.50 -1.27 0.58 0.00 -1.47 0.00 0.00 33.84 32.18 3n3s n VAL 593 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3n3s n LEU 594 N -2.19 0.73 -4.72 1.34 4.77 -0.35 -4.87 117.00 111.71 3n3s n LEU 594 Ca 0.01 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 3n3s n LEU 594 Cb 0.18 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3n3s n LEU 594 CO 0.17 0.13 1.17 -0.70 -1.33 0.00 0.00 177.39 176.83 3n3s s GLU 595 N -2.35 4.25 -0.22 3.23 2.12 -0.98 -4.92 118.70 119.83 3n3s s GLU 595 Ca 0.31 2.30 -0.29 0.00 0.36 0.00 0.00 54.97 57.65 3n3s s GLU 595 Cb 0.20 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.43 3n3s s GLU 595 CO 0.45 -0.53 1.21 -1.25 -0.54 0.00 0.00 175.26 174.60 3n3s s PRO 596 N 0.76 4.15 -0.02 4.30 0.04 -1.26 -4.82 135.00 138.15 3n3s s PRO 596 Ca 0.66 1.46 0.21 0.00 0.04 0.00 0.00 61.00 63.38 3n3s s PRO 596 Cb -0.42 -3.77 -0.29 0.00 0.04 0.00 0.00 34.50 30.07 3n3s s PRO 596 CO 0.34 -0.80 0.68 1.33 0.04 0.00 0.00 177.00 178.59 3n3s n VAL 597 N 5.60 0.00 -3.83 -0.36 0.24 -1.26 -4.71 118.33 114.01 3n3s n VAL 597 Ca 0.14 -0.26 -0.21 0.00 -2.04 0.00 0.00 64.34 61.97 3n3s n VAL 597 Cb 0.46 0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 33.14 3n3s n VAL 597 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n3s s ALA 598 N -3.26 0.55 -0.32 2.33 0.00 -1.26 -0.25 121.76 119.55 3n3s s ALA 598 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 3n3s s ALA 598 Cb 0.15 -0.61 0.13 0.00 0.00 0.00 0.00 23.12 22.79 3n3s s ALA 598 CO 0.89 -0.34 0.23 0.34 0.00 0.00 0.00 175.76 176.87 3n3s s ASP 599 N 1.70 2.63 0.62 0.00 2.15 -0.08 -4.98 116.67 118.71 3n3s s ASP 599 Ca 0.00 -1.51 0.36 0.00 0.43 0.00 0.00 52.55 51.83 3n3s s ASP 599 Cb -0.13 -0.06 2.07 0.00 -0.30 0.00 0.00 42.92 44.50 3n3s s ASP 599 CO -0.04 -0.36 2.30 1.23 -0.17 0.00 0.00 175.17 178.13 3n3s h GLY 600 N 7.73 0.00 2.00 2.66 0.00 -1.90 -0.47 103.07 113.09 3n3s h GLY 600 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3n3s h GLY 600 CO 0.33 0.00 -0.17 0.74 0.00 0.00 0.00 176.54 177.44 3n3s h PHE 601 N 0.00 0.00 -0.30 5.60 -1.00 -1.94 -1.59 116.94 117.71 3n3s h PHE 601 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3n3s h PHE 601 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 3n3s h PHE 601 CO 0.00 0.17 0.00 0.54 -1.61 0.00 0.00 178.31 177.41 3n3s n ARG 602 N -3.42 2.97 -4.00 1.51 1.74 -0.51 -4.73 116.66 110.23 3n3s n ARG 602 Ca -0.00 -2.64 -0.27 0.00 -0.77 0.00 0.00 57.85 54.16 3n3s n ARG 602 Cb 0.35 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 3n3s n ARG 602 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3n3s n ASN 603 N -0.19 -0.77 -4.27 0.55 2.85 -0.60 -1.87 115.26 110.96 3n3s n ASN 603 Ca 0.19 -1.01 -0.32 0.00 -0.11 0.00 0.00 54.58 53.33 3n3s n ASN 603 Cb 0.78 -2.98 -0.16 0.00 1.24 0.00 0.00 39.78 38.66 3n3s n ASN 603 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3n3s s TYR 604 N -3.87 2.49 -0.06 1.20 5.04 -0.30 -4.80 117.35 117.04 3n3s s TYR 604 Ca 0.12 -0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 53.97 3n3s s TYR 604 Cb -0.06 -1.63 0.03 0.00 0.35 0.00 0.00 41.96 40.65 3n3s s TYR 604 CO 0.90 -0.24 0.05 -0.51 -1.34 0.00 0.00 175.55 174.41 3n3s s LEU 605 N -0.07 0.24 0.22 6.97 1.43 -1.26 -0.91 118.68 125.30 3n3s s LEU 605 Ca -0.06 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3n3s s LEU 605 Cb -0.14 -0.20 0.20 0.00 0.03 0.00 0.00 46.19 46.07 3n3s s LEU 605 CO 0.05 -0.25 1.68 0.50 0.23 0.00 0.00 176.35 178.56 3n3s h LYS 606 N 8.42 0.89 0.00 1.70 3.64 -0.96 -3.47 116.57 126.78 3n3s h LYS 606 Ca -0.14 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3n3s h LYS 606 Cb 1.12 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3n3s h LYS 606 CO 0.18 0.93 0.00 0.41 -2.27 0.00 0.00 179.45 178.70 3n3s n GLY 607 N -0.44 4.05 3.62 5.01 0.00 -1.26 -5.14 105.19 111.02 3n3s n GLY 607 Ca 0.02 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 3n3s n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n3s s LYS 608 N -0.73 4.03 0.31 1.61 -0.14 -1.26 -5.09 119.74 118.47 3n3s s LYS 608 Ca 0.00 -0.07 0.09 0.00 -1.36 0.00 0.00 55.97 54.64 3n3s s LYS 608 Cb 0.00 -3.62 -0.05 0.00 -1.68 0.00 0.00 37.83 32.48 3n3s s LYS 608 CO 0.00 -0.17 0.01 0.71 -0.76 0.00 0.00 175.35 175.13 3n3s s TYR 609 N 1.75 2.58 0.14 3.18 1.51 -1.26 -5.03 117.35 120.22 3n3s s TYR 609 Ca 0.13 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 3n3s s TYR 609 Cb -0.15 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.21 3n3s s TYR 609 CO 0.09 0.52 1.31 0.07 -1.11 0.00 0.00 175.55 176.43 3n3s h ARG 610 N 1.84 0.18 -6.45 -0.62 0.11 -2.05 -3.44 114.38 103.95 3n3s h ARG 610 Ca -0.43 -0.24 -0.54 0.00 0.10 0.00 0.00 59.98 58.88 3n3s h ARG 610 Cb 1.25 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.40 3n3s h ARG 610 CO 0.64 1.02 0.51 0.08 0.10 0.00 0.00 179.97 182.32 3n3s s VAL 611 N -3.01 4.28 0.71 0.08 1.01 -1.26 -5.01 120.40 117.21 3n3s s VAL 611 Ca -0.03 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.44 3n3s s VAL 611 Cb 0.09 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3n3s s VAL 611 CO 0.84 0.12 1.16 -2.84 0.00 0.00 0.00 175.10 174.38 3n3s s PRO 612 N 1.10 2.33 0.41 2.72 0.02 -1.26 -4.84 135.00 135.49 3n3s s PRO 612 Ca 0.57 1.59 0.08 0.00 0.02 0.00 0.00 61.00 63.27 3n3s s PRO 612 Cb -0.27 -1.87 0.87 0.00 0.02 0.00 0.00 34.50 33.25 3n3s s PRO 612 CO 0.28 -1.65 2.02 0.00 -0.33 0.00 0.00 177.00 177.33 3n3s h ALA 613 N -0.27 1.67 0.00 -1.55 0.00 -1.94 -1.43 119.26 115.73 3n3s h ALA 613 Ca -0.47 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 3n3s h ALA 613 Cb 1.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3n3s h ALA 613 CO 0.51 0.27 -0.41 1.05 0.00 0.00 0.00 179.25 180.67 3n3s h GLU 614 N 0.41 0.00 -0.27 0.00 9.09 -1.91 -0.90 114.58 121.00 3n3s h GLU 614 Ca 0.10 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.35 3n3s h GLU 614 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 3n3s h GLU 614 CO -0.01 0.41 -0.48 0.28 0.05 0.00 0.00 179.01 179.25 3n3s h VAL 615 N 0.00 1.29 -0.24 -1.06 2.07 -1.64 -2.06 116.25 114.61 3n3s h VAL 615 Ca -0.00 -1.68 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 3n3s h VAL 615 Cb 0.86 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3n3s h VAL 615 CO 0.05 0.54 -0.24 -0.07 0.02 0.00 0.00 177.57 177.87 3n3s h LEU 616 N 0.58 0.46 0.05 2.57 3.38 -0.96 -1.31 115.31 120.09 3n3s h LEU 616 Ca 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3n3s h LEU 616 Cb 1.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3n3s h LEU 616 CO 0.10 0.70 -0.04 0.25 0.09 0.00 0.00 178.44 179.54 3n3s h LEU 617 N 0.41 -0.10 -1.08 1.67 5.85 -0.99 -0.83 115.31 120.24 3n3s h LEU 617 Ca 0.06 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3n3s h LEU 617 Cb 0.64 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 3n3s h LEU 617 CO 0.05 -0.06 0.62 0.58 -0.34 0.00 0.00 178.44 179.28 3n3s h VAL 618 N -0.09 1.17 -0.69 1.05 2.07 -1.19 0.19 116.25 118.76 3n3s h VAL 618 Ca -0.00 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3n3s h VAL 618 Cb 0.08 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 3n3s h VAL 618 CO -0.00 0.22 0.41 -0.78 0.02 0.00 0.00 177.57 177.44 3n3s h ASP 619 N 1.20 0.83 -0.57 0.57 3.58 -1.08 -0.43 116.42 120.52 3n3s h ASP 619 Ca 0.37 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.66 3n3s h ASP 619 Cb -0.01 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 3n3s h ASP 619 CO -0.11 0.65 -0.03 0.50 -2.88 0.00 0.00 179.24 177.37 3n3s h LYS 620 N 0.94 1.03 -0.64 0.28 1.63 -0.70 -2.03 116.57 117.09 3n3s h LYS 620 Ca 0.25 -0.34 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 3n3s h LYS 620 Cb -0.02 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.49 3n3s h LYS 620 CO -0.05 1.03 0.22 0.00 -3.45 0.00 0.00 179.45 177.20 3n3s h ALA 621 N 1.02 1.18 -0.50 5.00 0.00 -0.55 -1.25 119.26 124.16 3n3s h ALA 621 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3n3s h ALA 621 Cb 0.58 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3n3s h ALA 621 CO 0.03 0.58 0.20 0.37 0.00 0.00 0.00 179.25 180.43 3n3s h GLN 622 N 0.93 0.74 -0.19 0.00 -0.00 -0.69 -0.02 115.11 115.88 3n3s h GLN 622 Ca 0.21 -0.14 -0.05 0.00 -0.00 0.00 0.00 58.65 58.68 3n3s h GLN 622 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.59 3n3s h GLN 622 CO -0.01 0.66 -0.11 -0.07 0.00 0.00 0.00 178.83 179.30 3n3s h LEU 623 N 0.66 0.28 -0.01 -2.39 3.38 -0.78 -1.19 115.31 115.27 3n3s h LEU 623 Ca 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3n3s h LEU 623 Cb 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3n3s h LEU 623 CO -0.01 0.43 -0.00 0.18 0.09 0.00 0.00 178.44 179.12 3n3s n LEU 624 N -4.27 0.01 -1.23 1.67 4.77 -0.53 -0.03 117.00 117.40 3n3s n LEU 624 Ca -0.00 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3n3s n LEU 624 Cb 0.27 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3n3s n LEU 624 CO 0.38 0.00 -0.12 0.35 -1.33 0.00 0.00 177.39 176.67 3n3s n THR 625 N -1.06 -0.54 -3.60 -5.08 -2.24 -0.45 -4.95 114.28 96.36 3n3s n THR 625 Ca 0.22 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.64 3n3s n THR 625 Cb 0.14 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.53 3n3s n THR 625 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3n3s s LEU 626 N -3.06 4.39 0.97 3.22 1.43 -0.09 -5.02 118.68 120.53 3n3s s LEU 626 Ca 0.01 0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 53.73 3n3s s LEU 626 Cb -0.01 -2.76 0.19 0.00 0.03 0.00 0.00 46.19 43.65 3n3s s LEU 626 CO 0.01 0.24 1.27 -0.94 0.23 0.00 0.00 176.35 177.16 3n3s s SER 627 N -1.51 3.00 0.12 2.29 1.04 -1.26 -4.52 113.70 112.85 3n3s s SER 627 Ca 0.28 0.42 -0.13 0.00 0.48 0.00 0.00 55.95 57.01 3n3s s SER 627 Cb -0.14 -0.57 -0.06 0.00 0.10 0.00 0.00 66.02 65.34 3n3s s SER 627 CO 0.15 -2.82 1.45 0.00 0.98 0.00 0.00 173.24 173.00 3n3s h ALA 628 N -1.69 0.50 -0.78 5.32 0.00 -1.90 -0.27 119.26 120.42 3n3s h ALA 628 Ca -0.45 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.10 3n3s h ALA 628 Cb 1.26 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3n3s h ALA 628 CO 0.42 0.58 0.46 -1.35 0.00 0.00 0.00 179.25 179.36 3n3s h PRO 629 N 0.62 0.79 -0.45 0.00 0.11 -1.98 -0.55 132.00 130.54 3n3s h PRO 629 Ca 0.05 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 3n3s h PRO 629 Cb 0.94 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3n3s h PRO 629 CO 0.09 0.52 -0.02 0.93 -0.21 0.00 0.00 178.00 179.32 3n3s h GLU 630 N 0.81 0.81 -0.78 1.05 5.08 -1.83 -2.05 114.58 117.67 3n3s h GLU 630 Ca 0.36 -0.27 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 3n3s h GLU 630 Cb 0.24 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 3n3s h GLU 630 CO -0.20 0.87 0.40 1.98 -1.00 0.00 0.00 179.01 181.06 3n3s h MET 631 N 0.65 0.62 -0.20 2.33 4.05 -0.84 -1.96 114.93 119.59 3n3s h MET 631 Ca 0.13 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.42 3n3s h MET 631 Cb 0.52 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.18 3n3s h MET 631 CO 0.03 0.41 -0.22 1.15 0.23 0.00 0.00 176.91 178.51 3n3s h THR 632 N 0.64 1.33 -0.50 -0.77 2.02 -0.81 -0.58 112.91 114.24 3n3s h THR 632 Ca 0.39 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 3n3s h THR 632 Cb 0.45 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 3n3s h THR 632 CO -0.30 0.43 0.11 0.58 0.37 0.00 0.00 175.52 176.72 3n3s h VAL 633 N 0.18 1.24 -0.29 3.16 2.07 -1.34 -1.46 116.25 119.81 3n3s h VAL 633 Ca 0.03 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3n3s h VAL 633 Cb 0.78 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3n3s h VAL 633 CO 0.05 0.31 0.05 0.25 0.02 0.00 0.00 177.57 178.26 3n3s h LEU 634 N 0.69 0.46 -0.13 2.57 5.85 -1.20 -1.00 115.31 122.55 3n3s h LEU 634 Ca 0.16 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3n3s h LEU 634 Cb 0.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3n3s h LEU 634 CO 0.00 0.59 0.03 0.25 -0.34 0.00 0.00 178.44 178.98 3n3s h LEU 635 N 0.31 0.21 -1.33 2.25 6.46 -0.98 0.09 115.31 122.31 3n3s h LEU 635 Ca 0.09 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.60 3n3s h LEU 635 Cb 0.33 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 3n3s h LEU 635 CO 0.00 0.40 0.30 1.23 -0.62 0.00 0.00 178.44 179.75 3n3s h GLY 636 N 0.01 0.81 0.69 3.75 0.00 -1.15 -1.86 103.07 105.31 3n3s h GLY 636 Ca 0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3n3s h GLY 636 CO 0.00 0.33 -0.26 -1.33 0.00 0.00 0.00 176.54 175.28 3n3s h GLY 637 N 0.83 0.37 1.38 4.60 0.00 -0.98 -3.21 103.07 106.06 3n3s h GLY 637 Ca 0.20 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.10 3n3s h GLY 637 CO -0.03 0.42 0.31 1.41 0.00 0.00 0.00 176.54 178.65 3n3s h LEU 638 N -0.14 0.40 -0.69 3.11 3.38 -0.69 -1.71 115.31 118.97 3n3s h LEU 638 Ca -0.01 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3n3s h LEU 638 Cb 0.88 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3n3s h LEU 638 CO 0.06 0.27 0.17 0.03 0.09 0.00 0.00 178.44 179.06 3n3s h ARG 639 N 0.47 1.11 0.00 1.13 2.47 -1.36 -2.09 114.38 116.10 3n3s h ARG 639 Ca 0.20 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3n3s h ARG 639 Cb 0.20 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 3n3s h ARG 639 CO -0.05 0.98 -0.41 1.33 0.56 0.00 0.00 179.97 182.37 3n3s n VAL 640 N -4.26 0.11 1.10 2.04 0.24 -0.89 -2.91 118.33 113.76 3n3s n VAL 640 Ca 0.05 -0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.41 3n3s n VAL 640 Cb 0.25 -0.01 0.49 0.00 -1.47 0.00 0.00 33.84 33.10 3n3s n VAL 640 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3n3s n LEU 641 N -1.67 0.28 0.00 1.34 4.77 -0.70 -0.00 117.00 121.02 3n3s n LEU 641 Ca 0.05 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3n3s n LEU 641 Cb 0.36 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3n3s n LEU 641 CO 0.34 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3n3s n GLY 642 N 1.44 0.95 0.01 -0.72 0.00 -1.12 -3.61 105.19 102.15 3n3s n GLY 642 Ca 0.08 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3n3s n GLY 642 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 643 N -0.92 2.50 -1.76 4.61 0.00 -0.82 -4.80 120.51 119.33 3n3s n ALA 643 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 3n3s n ALA 643 Cb 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3n3s n ALA 643 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3n3s n ASN 644 N -1.37 3.45 -4.74 0.00 3.02 -1.26 -4.69 115.26 109.68 3n3s n ASN 644 Ca 0.10 1.19 -0.42 0.00 -0.03 0.00 0.00 54.58 55.43 3n3s n ASN 644 Cb 0.30 -1.59 -0.02 0.00 -0.61 0.00 0.00 39.78 37.85 3n3s n ASN 644 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3n3s s VAL 645 N -1.14 2.31 -0.01 2.41 1.01 -0.78 -2.86 120.40 121.35 3n3s s VAL 645 Ca 0.56 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3n3s s VAL 645 Cb -0.48 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3n3s s VAL 645 CO 0.62 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3n3s n GLY 646 N 2.89 0.46 2.40 4.51 0.00 -1.26 -2.98 105.19 111.20 3n3s n GLY 646 Ca 0.11 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 3n3s n GLY 646 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3n3s n GLN 647 N -2.98 -1.87 -1.67 1.61 1.13 -1.13 -4.92 117.38 107.54 3n3s n GLN 647 Ca -0.00 0.82 -0.39 0.00 -1.94 0.00 0.00 57.00 55.49 3n3s n GLN 647 Cb 0.00 -5.40 0.04 0.00 0.11 0.00 0.00 30.24 24.99 3n3s n GLN 647 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3n3s n SER 648 N -1.74 1.83 -0.23 1.08 2.88 -1.16 -4.90 113.62 111.39 3n3s n SER 648 Ca -0.19 0.95 0.13 0.00 -1.33 0.00 0.00 58.87 58.43 3n3s n SER 648 Cb 0.63 -1.47 0.39 0.00 -0.75 0.00 0.00 64.21 63.01 3n3s n SER 648 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3n3s n ARG 649 N -0.66 0.80 -1.67 -1.46 5.12 -1.26 -4.81 116.66 112.72 3n3s n ARG 649 Ca 0.11 -0.46 -0.42 0.00 -1.93 0.00 0.00 57.85 55.14 3n3s n ARG 649 Cb 0.44 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.22 3n3s n ARG 649 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3n3s n HIS 650 N -0.70 2.57 -0.93 -1.55 8.25 -1.26 -1.08 115.22 120.52 3n3s n HIS 650 Ca 0.12 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3n3s n HIS 650 Cb 0.34 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.68 3n3s n HIS 650 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n3s n GLY 651 N 4.41 0.86 3.03 -1.41 0.00 -0.04 -4.86 105.19 107.18 3n3s n GLY 651 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3n3s n GLY 651 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3n3s n VAL 652 N -2.23 4.08 -2.13 1.61 0.31 -0.24 -4.81 118.33 114.93 3n3s n VAL 652 Ca 0.00 -4.11 -0.41 0.00 -0.01 0.00 0.00 64.34 59.81 3n3s n VAL 652 Cb 0.00 -2.44 -0.00 0.00 -0.91 0.00 0.00 33.84 30.49 3n3s n VAL 652 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3n3s n PHE 653 N 5.25 2.79 -3.61 3.52 0.99 -1.26 -4.84 117.46 120.29 3n3s n PHE 653 Ca 0.43 -2.82 -0.14 0.00 -0.00 0.00 0.00 57.45 54.92 3n3s n PHE 653 Cb 0.39 -1.95 -0.06 0.00 -1.00 0.00 0.00 39.48 36.86 3n3s n PHE 653 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3n3s s THR 654 N -0.03 0.04 -1.10 4.37 -1.32 -1.26 -3.66 115.64 112.68 3n3s s THR 654 Ca 0.47 -0.30 0.15 0.00 -1.21 0.00 0.00 61.69 60.80 3n3s s THR 654 Cb 0.14 -0.94 0.48 0.00 -1.51 0.00 0.00 72.50 70.67 3n3s s THR 654 CO -0.04 -0.17 1.41 0.00 -2.21 0.00 0.00 174.62 173.61 3n3s n ALA 655 N 0.56 2.48 -3.22 11.08 0.00 -1.26 -4.57 120.51 125.58 3n3s n ALA 655 Ca -0.19 -1.40 -0.24 0.00 0.00 0.00 0.00 53.44 51.61 3n3s n ALA 655 Cb 0.59 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 3n3s n ALA 655 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3n3s n ARG 656 N 0.75 1.56 -1.71 0.00 1.85 -1.26 -5.10 116.66 112.75 3n3s n ARG 656 Ca 0.18 -3.85 -0.42 0.00 -1.00 0.00 0.00 57.85 52.77 3n3s n ARG 656 Cb 0.61 -1.71 -0.00 0.00 -1.05 0.00 0.00 32.46 30.30 3n3s n ARG 656 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3n3s n GLU 657 N 0.85 2.16 -1.02 2.89 2.13 -1.26 -2.05 120.64 124.33 3n3s n GLU 657 Ca 0.25 0.76 -0.01 0.00 0.66 0.00 0.00 57.16 58.83 3n3s n GLU 657 Cb 0.50 -2.39 -0.00 0.00 0.27 0.00 0.00 31.44 29.82 3n3s n GLU 657 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3n3s n GLN 658 N 0.43 -0.12 -4.74 5.31 6.02 1.00 -5.01 117.38 120.27 3n3s n GLN 658 Ca 0.05 0.31 -0.33 0.00 -0.01 0.00 0.00 57.00 57.02 3n3s n GLN 658 Cb 0.37 -3.67 -0.13 0.00 1.02 0.00 0.00 30.24 27.83 3n3s n GLN 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3n3s s ALA 659 N -2.00 2.75 -0.79 -1.58 0.00 -0.87 -4.34 121.76 114.93 3n3s s ALA 659 Ca 0.00 -0.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 3n3s s ALA 659 Cb 0.00 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 22.00 3n3s s ALA 659 CO 0.00 0.41 1.21 -1.17 0.00 0.00 0.00 175.76 176.21 3n3s s LEU 660 N -0.23 3.76 0.22 0.00 2.96 -0.12 -4.69 118.68 120.57 3n3s s LEU 660 Ca 0.02 -0.95 0.02 0.00 -0.22 0.00 0.00 54.13 53.00 3n3s s LEU 660 Cb -0.13 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 3n3s s LEU 660 CO 0.03 -1.59 0.05 0.42 -1.32 0.00 0.00 176.35 173.93 3n3s s THR 661 N 4.82 0.65 -0.66 3.68 -4.23 -1.26 -4.77 115.64 113.87 3n3s s THR 661 Ca 0.33 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 3n3s s THR 661 Cb -0.09 -2.38 0.20 0.00 1.34 0.00 0.00 72.50 71.58 3n3s s THR 661 CO 0.07 -0.24 0.91 -0.46 -0.54 0.00 0.00 174.62 174.35 3n3s n ASN 662 N -0.36 2.43 0.22 3.99 6.94 -1.26 -4.53 115.26 122.70 3n3s n ASN 662 Ca -0.03 -2.28 0.07 0.00 -0.02 0.00 0.00 54.58 52.32 3n3s n ASN 662 Cb 0.65 -0.56 0.60 0.00 -2.36 0.00 0.00 39.78 38.11 3n3s n ASN 662 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3n3s h ASP 663 N 0.86 0.07 -0.43 0.53 3.32 -1.92 -2.12 116.42 116.72 3n3s h ASP 663 Ca 0.04 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.17 3n3s h ASP 663 Cb 1.01 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.46 3n3s h ASP 663 CO 0.16 0.06 -0.11 0.15 -1.72 0.00 0.00 179.24 177.78 3n3s h PHE 664 N 0.08 -0.24 -0.13 4.55 3.57 -1.79 -0.28 116.94 122.69 3n3s h PHE 664 Ca 0.02 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 3n3s h PHE 664 Cb 0.01 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3n3s h PHE 664 CO 0.00 -0.19 -0.37 0.74 -2.23 0.00 0.00 178.31 176.26 3n3s h PHE 665 N -0.00 0.62 -0.45 0.41 -1.00 -1.74 0.23 116.94 115.01 3n3s h PHE 665 Ca 0.21 -0.25 0.02 0.00 2.81 0.00 0.00 57.97 60.76 3n3s h PHE 665 Cb 0.32 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 3n3s h PHE 665 CO -0.38 0.98 0.27 0.28 -1.61 0.00 0.00 178.31 177.85 3n3s h VAL 666 N 0.08 1.06 -0.07 -0.55 2.07 -1.30 -1.94 116.25 115.60 3n3s h VAL 666 Ca -0.01 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.15 3n3s h VAL 666 Cb 0.99 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3n3s h VAL 666 CO 0.08 0.10 -0.69 0.78 0.02 0.00 0.00 177.57 177.85 3n3s h ASN 667 N 0.54 0.40 -0.60 0.57 2.35 -1.07 -2.99 115.58 114.78 3n3s h ASN 667 Ca 0.18 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3n3s h ASN 667 Cb -0.00 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3n3s h ASN 667 CO -0.07 0.97 0.13 0.25 -1.65 0.00 0.00 177.43 177.06 3n3s h LEU 668 N 0.24 0.96 -1.11 1.61 5.85 -0.74 -2.79 115.31 119.32 3n3s h LEU 668 Ca -0.02 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3n3s h LEU 668 Cb 1.25 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3n3s h LEU 668 CO 0.11 0.94 0.00 0.18 -0.34 0.00 0.00 178.44 179.34 3n3s n LEU 669 N -4.23 1.66 -4.61 2.25 4.77 -0.75 -4.87 117.00 111.22 3n3s n LEU 669 Ca 0.04 -0.71 -0.43 0.00 -0.03 0.00 0.00 56.01 54.88 3n3s n LEU 669 Cb 0.26 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3n3s n LEU 669 CO 0.42 0.36 1.24 -0.62 -1.33 0.00 0.00 177.39 177.46 3n3s s ASP 670 N -1.49 6.39 0.07 -1.43 -1.08 -1.06 -4.87 116.67 113.21 3n3s s ASP 670 Ca 0.31 1.02 0.18 0.00 -0.52 0.00 0.00 52.55 53.53 3n3s s ASP 670 Cb 0.17 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.83 3n3s s ASP 670 CO 0.25 -1.36 1.55 0.80 0.52 0.00 0.00 175.17 176.94 3n3s n MET 671 N 7.89 0.06 0.00 4.34 0.00 -1.26 -2.02 117.12 126.13 3n3s n MET 671 Ca 0.17 0.29 0.04 0.00 -0.00 0.00 0.00 57.70 58.19 3n3s n MET 671 Cb 0.47 -1.60 0.17 0.00 0.00 0.00 0.00 33.22 32.26 3n3s n MET 671 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3n3s n GLY 672 N 0.08 -0.71 3.40 -5.12 0.00 -1.26 -4.66 105.19 96.93 3n3s n GLY 672 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3n3s n GLY 672 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3s s THR 673 N -2.89 2.91 -0.08 2.61 2.01 -0.85 -1.11 115.64 118.24 3n3s s THR 673 Ca 0.05 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.31 3n3s s THR 673 Cb 0.05 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3n3s s THR 673 CO 0.13 0.56 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.85 3n3s s GLU 674 N -0.13 2.87 -0.03 4.92 2.12 0.12 -4.89 118.70 123.67 3n3s s GLU 674 Ca -0.02 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 54.81 3n3s s GLU 674 Cb -0.14 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.62 3n3s s GLU 674 CO 0.04 0.59 -0.19 -1.58 -0.54 0.00 0.00 175.26 173.57 3n3s s TRP 675 N -0.61 2.55 -0.04 5.30 0.52 -1.26 -0.81 118.94 124.59 3n3s s TRP 675 Ca 0.09 -0.27 -0.05 0.00 0.02 0.00 0.00 56.10 55.88 3n3s s TRP 675 Cb -0.12 -1.57 0.01 0.00 -1.15 0.00 0.00 33.47 30.64 3n3s s TRP 675 CO 0.02 0.10 0.14 0.15 0.02 0.00 0.00 176.95 177.37 3n3s s LYS 676 N -0.71 0.25 0.52 4.98 1.02 -0.72 -4.97 119.74 120.11 3n3s s LYS 676 Ca 0.11 0.03 -0.22 0.00 0.02 0.00 0.00 55.97 55.91 3n3s s LYS 676 Cb -0.10 0.11 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 3n3s s LYS 676 CO 0.00 -0.04 1.33 -1.25 -0.92 0.00 0.00 175.35 174.46 3n3s s PRO 677 N -0.33 3.28 0.53 -1.68 0.04 -1.26 -0.65 135.00 134.92 3n3s s PRO 677 Ca -0.04 2.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 3n3s s PRO 677 Cb -0.03 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 32.13 3n3s s PRO 677 CO 0.00 -1.05 1.00 0.95 0.04 0.00 0.00 177.00 177.94 3n3s s THR 678 N -1.34 4.34 0.26 1.26 -4.23 -0.07 -4.79 115.64 111.07 3n3s s THR 678 Ca 0.70 1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 62.35 3n3s s THR 678 Cb -0.38 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 69.89 3n3s s THR 678 CO 0.46 -0.62 1.70 0.00 -0.54 0.00 0.00 174.62 175.62 3n3s h ALA 679 N 0.88 1.03 -0.50 3.99 0.00 -1.94 -3.16 119.26 119.57 3n3s h ALA 679 Ca -0.47 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3n3s h ALA 679 Cb 1.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3n3s h ALA 679 CO 0.60 0.58 0.31 0.00 0.00 0.00 0.00 179.25 180.75 3n3s h ALA 680 N 1.23 1.62 -1.89 0.00 0.00 -1.97 -3.43 119.26 114.82 3n3s h ALA 680 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3n3s h ALA 680 Cb 0.67 -0.20 -0.23 0.00 0.00 0.00 0.00 17.79 18.03 3n3s h ALA 680 CO 0.05 0.34 -0.24 0.34 0.00 0.00 0.00 179.25 179.74 3n3s s ASP 681 N -6.60 -0.89 0.50 0.00 -1.08 -1.19 -5.03 116.67 102.37 3n3s s ASP 681 Ca -0.09 1.19 0.33 0.00 -0.52 0.00 0.00 52.55 53.46 3n3s s ASP 681 Cb 0.17 1.97 1.69 0.00 -1.46 0.00 0.00 42.92 45.30 3n3s s ASP 681 CO 0.75 -0.24 2.02 0.00 0.52 0.00 0.00 175.17 178.21 3n3s h ALA 682 N 8.05 1.00 -0.44 3.66 0.00 -1.85 -2.79 119.26 126.89 3n3s h ALA 682 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3n3s h ALA 682 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3n3s h ALA 682 CO 0.15 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 3n3s n ASP 683 N -2.74 3.35 -4.21 0.00 8.00 -1.26 -4.76 116.55 114.94 3n3s n ASP 683 Ca -0.01 -1.95 -0.29 0.00 0.71 0.00 0.00 54.79 53.25 3n3s n ASP 683 Cb 0.12 -0.29 -0.16 0.00 -0.02 0.00 0.00 41.12 40.77 3n3s n ASP 683 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n3s s VAL 684 N -1.20 1.80 0.04 2.53 1.01 -1.06 -3.16 120.40 120.36 3n3s s VAL 684 Ca 0.36 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.51 3n3s s VAL 684 Cb 0.20 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3n3s s VAL 684 CO 0.27 0.51 -0.25 -0.36 0.00 0.00 0.00 175.10 175.27 3n3s s PHE 685 N -0.01 2.21 -0.12 5.22 0.40 0.15 -0.89 117.98 124.94 3n3s s PHE 685 Ca -0.06 -0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 55.81 3n3s s PHE 685 Cb -0.13 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 3n3s s PHE 685 CO 0.04 0.10 0.08 -1.21 0.70 0.00 0.00 175.22 174.93 3n3s s GLU 686 N -1.16 3.42 -0.34 0.44 2.02 0.18 -0.81 118.70 122.44 3n3s s GLU 686 Ca 0.11 -0.26 -0.10 0.00 0.02 0.00 0.00 54.97 54.74 3n3s s GLU 686 Cb -0.10 -3.08 0.02 0.00 0.10 0.00 0.00 34.13 31.07 3n3s s GLU 686 CO 0.02 0.65 0.17 0.20 0.02 0.00 0.00 175.26 176.31 3n3s s GLY 687 N -0.68 1.89 0.08 -1.39 0.00 0.24 -1.76 107.32 105.69 3n3s s GLY 687 Ca 0.12 -1.60 0.07 0.00 0.00 0.00 0.00 44.72 43.31 3n3s s GLY 687 CO 0.02 0.77 -0.11 0.50 0.00 0.00 0.00 173.10 174.29 3n3s s ARG 688 N 1.55 2.17 0.14 2.90 0.52 0.01 -0.82 118.95 125.43 3n3s s ARG 688 Ca 0.02 -0.98 -0.33 0.00 -0.52 0.00 0.00 55.73 53.93 3n3s s ARG 688 Cb -0.18 -2.31 -0.13 0.00 0.52 0.00 0.00 34.95 32.85 3n3s s ARG 688 CO 0.06 0.53 1.68 -3.47 0.02 0.00 0.00 175.30 174.11 3n3s n ASP 689 N 0.97 3.47 0.03 0.23 -0.08 0.38 -0.70 116.55 120.86 3n3s n ASP 689 Ca -0.14 1.05 -0.02 0.00 -1.51 0.00 0.00 54.79 54.18 3n3s n ASP 689 Cb 0.52 -1.47 0.25 0.00 2.34 0.00 0.00 41.12 42.76 3n3s n ASP 689 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3n3s h ARG 690 N 6.78 0.44 0.13 -0.67 2.43 -1.46 0.67 114.38 122.70 3n3s h ARG 690 Ca -0.45 -0.14 -0.23 0.00 -0.81 0.00 0.00 59.98 58.35 3n3s h ARG 690 Cb 1.24 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3n3s h ARG 690 CO 0.92 0.61 -1.12 0.00 -1.51 0.00 0.00 179.97 178.87 3n3s h ALA 691 N 1.41 0.04 0.00 2.80 0.00 -1.89 -3.41 119.26 118.21 3n3s h ALA 691 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3n3s h ALA 691 Cb 0.55 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3n3s h ALA 691 CO 0.04 0.60 -1.53 0.25 0.00 0.00 0.00 179.25 178.61 3n3s n THR 692 N -4.03 0.00 -0.95 0.00 -2.24 -1.20 -4.99 114.28 100.87 3n3s n THR 692 Ca -0.19 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3n3s n THR 692 Cb 0.86 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3n3s n THR 692 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3s n GLY 693 N 1.48 0.99 3.76 3.38 0.00 0.22 -4.99 105.19 110.04 3n3s n GLY 693 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3n3s n GLY 693 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n3s s GLU 694 N -0.04 4.36 -0.03 1.61 2.12 -1.26 -4.54 118.70 120.92 3n3s s GLU 694 Ca 0.00 2.17 -0.30 0.00 0.36 0.00 0.00 54.97 57.20 3n3s s GLU 694 Cb 0.00 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3n3s s GLU 694 CO 0.00 -0.22 1.16 -1.17 -0.54 0.00 0.00 175.26 174.49 3n3s s LEU 695 N -1.14 4.31 -0.15 2.70 2.96 -1.26 -0.47 118.68 125.63 3n3s s LEU 695 Ca 0.52 1.82 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 3n3s s LEU 695 Cb -0.39 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 42.64 3n3s s LEU 695 CO 0.47 -0.51 -0.13 0.29 -1.32 0.00 0.00 176.35 175.15 3n3s n LYS 696 N 4.74 0.38 -3.72 1.98 5.02 0.00 -4.92 118.16 121.63 3n3s n LYS 696 Ca 0.10 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.38 3n3s n LYS 696 Cb 0.47 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 3n3s n LYS 696 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3n3s s TRP 697 N -2.30 -0.09 0.16 2.13 0.23 -0.94 -5.01 118.94 113.12 3n3s s TRP 697 Ca -0.20 -0.24 0.06 0.00 -2.03 0.00 0.00 56.10 53.69 3n3s s TRP 697 Cb 0.05 0.29 -0.04 0.00 0.03 0.00 0.00 33.47 33.80 3n3s s TRP 697 CO 0.35 -0.81 -0.13 0.95 0.96 0.00 0.00 176.95 178.26 3n3s s THR 698 N -3.86 1.41 0.20 2.01 -4.23 -1.26 -0.59 115.64 109.32 3n3s s THR 698 Ca 0.08 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.40 3n3s s THR 698 Cb 0.01 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 72.07 3n3s s THR 698 CO -0.06 -0.59 0.57 -0.83 -0.54 0.00 0.00 174.62 173.17 3n3s s GLY 699 N -2.98 -0.18 0.49 3.99 0.00 0.01 -0.86 107.32 107.80 3n3s s GLY 699 Ca 0.16 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.84 3n3s s GLY 699 CO 0.03 -0.16 0.61 -1.30 0.00 0.00 0.00 173.10 172.28 3n3s n THR 700 N -0.37 0.00 -0.28 0.90 -2.24 -1.26 0.33 114.28 111.36 3n3s n THR 700 Ca -0.10 -1.73 -0.01 0.00 -2.27 0.00 0.00 64.05 59.94 3n3s n THR 700 Cb 0.62 -0.46 0.17 0.00 -2.10 0.00 0.00 70.33 68.57 3n3s n THR 700 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3n3s h ARG 701 N 0.00 1.13 -0.65 -0.78 3.08 -1.94 -1.21 114.38 114.00 3n3s h ARG 701 Ca -0.25 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 3n3s h ARG 701 Cb 1.08 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 3n3s h ARG 701 CO 0.37 0.78 0.29 0.28 -1.07 0.00 0.00 179.97 180.61 3n3s h VAL 702 N 1.16 1.22 -0.14 2.04 2.07 -1.91 -0.91 116.25 119.77 3n3s h VAL 702 Ca 0.30 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3n3s h VAL 702 Cb -0.08 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3n3s h VAL 702 CO -0.06 0.27 -0.10 0.44 0.02 0.00 0.00 177.57 178.13 3n3s h ASP 703 N 0.93 0.34 0.94 0.57 3.32 -1.81 -3.33 116.42 117.39 3n3s h ASP 703 Ca 0.22 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3n3s h ASP 703 Cb 0.14 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3n3s h ASP 703 CO -0.02 0.72 -0.22 0.18 -1.72 0.00 0.00 179.24 178.17 3n3s n LEU 704 N -4.61 0.39 0.27 1.55 4.32 -0.51 -3.00 117.00 115.41 3n3s n LEU 704 Ca -0.06 0.34 0.10 0.00 -0.02 0.00 0.00 56.01 56.37 3n3s n LEU 704 Cb 0.33 -0.35 0.72 0.00 -1.62 0.00 0.00 43.42 42.49 3n3s n LEU 704 CO 0.38 -0.01 1.07 1.62 -1.22 0.00 0.00 177.39 179.23 3n3s h VAL 705 N 0.00 0.85 0.00 4.08 3.04 -1.27 0.38 116.25 123.32 3n3s h VAL 705 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3n3s h VAL 705 Cb 0.58 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3n3s h VAL 705 CO 0.00 0.02 0.00 -0.26 -1.01 0.00 0.00 177.57 176.32 3n3s h PHE 706 N 0.00 0.00 -0.29 3.17 -1.00 -1.74 0.35 116.94 117.44 3n3s h PHE 706 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3n3s h PHE 706 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3n3s h PHE 706 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 3n3s n GLY 707 N -0.24 1.57 0.80 -1.45 0.00 0.08 -3.11 105.19 102.84 3n3s n GLY 707 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 3n3s n GLY 707 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3n3s n SER 708 N 0.93 0.56 -4.73 1.61 2.88 -0.44 -4.94 113.62 109.49 3n3s n SER 708 Ca 0.13 0.05 -0.42 0.00 -1.33 0.00 0.00 58.87 57.31 3n3s n SER 708 Cb 0.46 -0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 3n3s n SER 708 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3n3s s HIS 709 N -2.09 3.28 0.29 0.66 5.04 -0.02 -4.88 115.29 117.58 3n3s s HIS 709 Ca -0.07 1.16 0.19 0.00 -1.54 0.00 0.00 55.06 54.81 3n3s s HIS 709 Cb 0.02 -3.60 0.91 0.00 0.04 0.00 0.00 32.58 29.96 3n3s s HIS 709 CO 0.08 -1.93 1.86 0.66 -2.34 0.00 0.00 174.74 173.07 3n3s h SER 710 N 5.97 0.00 0.12 9.88 4.64 -1.95 0.12 113.55 132.32 3n3s h SER 710 Ca -0.44 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.66 3n3s h SER 710 Cb 1.21 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3n3s h SER 710 CO 0.80 0.30 -0.97 1.56 -0.87 0.00 0.00 176.83 177.66 3n3s h GLN 711 N 0.00 0.44 -0.42 4.77 4.20 -1.96 -2.91 115.11 119.22 3n3s h GLN 711 Ca -0.00 -0.64 -0.09 0.00 0.06 0.00 0.00 58.65 57.98 3n3s h GLN 711 Cb 0.67 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 3n3s h GLN 711 CO 0.04 1.28 -0.12 -0.07 -0.67 0.00 0.00 178.83 179.28 3n3s h LEU 712 N -0.08 0.75 -1.09 1.46 3.38 -1.82 -2.62 115.31 115.29 3n3s h LEU 712 Ca -0.16 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3n3s h LEU 712 Cb 1.71 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3n3s h LEU 712 CO 0.18 0.90 -0.25 -0.09 0.09 0.00 0.00 178.44 179.27 3n3s h ARG 713 N 0.69 0.34 -0.64 1.13 2.43 -0.70 0.12 114.38 117.75 3n3s h ARG 713 Ca 0.11 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3n3s h ARG 713 Cb 0.60 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3n3s h ARG 713 CO 0.04 0.57 0.26 0.00 -1.51 0.00 0.00 179.97 179.34 3n3s h ALA 714 N 1.44 1.26 -0.07 2.80 0.00 -1.27 0.83 119.26 124.25 3n3s h ALA 714 Ca 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3n3s h ALA 714 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3n3s h ALA 714 CO 0.04 0.55 -0.17 -0.07 0.00 0.00 0.00 179.25 179.60 3n3s h LEU 715 N 0.92 0.27 -1.00 0.00 3.38 -0.99 -3.09 115.31 114.79 3n3s h LEU 715 Ca 0.22 -0.59 0.17 0.00 0.09 0.00 0.00 57.88 57.77 3n3s h LEU 715 Cb 0.16 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3n3s h LEU 715 CO -0.02 0.81 0.62 0.00 0.09 0.00 0.00 178.44 179.94 3n3s h ALA 716 N 0.46 1.62 -0.77 1.53 0.00 -0.44 -2.00 119.26 119.67 3n3s h ALA 716 Ca -0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3n3s h ALA 716 Cb 0.78 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3n3s h ALA 716 CO 0.04 0.03 0.51 0.93 0.00 0.00 0.00 179.25 180.75 3n3s h GLU 717 N 0.83 0.98 -0.13 0.00 5.08 -0.78 0.16 114.58 120.73 3n3s h GLU 717 Ca 0.56 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3n3s h GLU 717 Cb 0.79 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3n3s h GLU 717 CO -0.35 0.65 0.07 0.28 -1.00 0.00 0.00 179.01 178.66 3n3s h VAL 718 N 1.01 1.10 0.00 3.13 2.07 -1.29 -2.73 116.25 119.54 3n3s h VAL 718 Ca 0.29 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3n3s h VAL 718 Cb -0.07 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3n3s h VAL 718 CO -0.07 0.09 0.00 1.88 0.02 0.00 0.00 177.57 179.49 3n3s h TYR 719 N 0.10 0.00 -0.44 1.57 -1.99 -1.36 -3.09 116.97 111.77 3n3s h TYR 719 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3n3s h TYR 719 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 3n3s h TYR 719 CO -0.04 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.53 3n3s n GLY 720 N 0.61 1.22 3.92 3.88 0.00 0.52 -4.79 105.19 110.56 3n3s n GLY 720 Ca 0.03 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3n3s n GLY 720 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n3s s SER 721 N -1.14 5.40 0.43 1.61 0.01 -1.04 -4.57 113.70 114.40 3n3s s SER 721 Ca 0.34 0.64 0.24 0.00 1.31 0.00 0.00 55.95 58.47 3n3s s SER 721 Cb 0.18 -1.54 0.73 0.00 0.21 0.00 0.00 66.02 65.60 3n3s s SER 721 CO 0.24 -1.19 1.74 0.00 0.41 0.00 0.00 173.24 174.44 3n3s h ALA 722 N -0.27 0.95 -0.50 1.44 0.00 -1.92 -2.44 119.26 116.52 3n3s h ALA 722 Ca -0.45 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3n3s h ALA 722 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3n3s h ALA 722 CO 0.60 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 3n3s n ASP 723 N -3.25 3.37 -0.58 0.00 5.75 -1.26 -4.58 116.55 116.00 3n3s n ASP 723 Ca 0.01 -2.21 0.12 0.00 -0.01 0.00 0.00 54.79 52.70 3n3s n ASP 723 Cb 0.48 -0.45 0.08 0.00 -1.03 0.00 0.00 41.12 40.21 3n3s n ASP 723 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n3s n ALA 724 N 0.88 3.22 -0.13 2.12 0.00 -0.92 -4.61 120.51 121.08 3n3s n ALA 724 Ca 0.19 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 3n3s n ALA 724 Cb 0.61 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 3n3s n ALA 724 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3n3s h GLN 725 N 2.82 0.56 -0.52 0.00 5.75 -1.81 0.31 115.11 122.23 3n3s h GLN 725 Ca 0.00 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 3n3s h GLN 725 Cb 0.78 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 3n3s h GLN 725 CO 0.00 0.50 0.05 1.49 -2.65 0.00 0.00 178.83 178.22 3n3s h GLU 726 N 0.48 0.88 -0.72 1.69 4.81 -1.97 -2.20 114.58 117.54 3n3s h GLU 726 Ca 0.13 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3n3s h GLU 726 Cb 0.13 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3n3s h GLU 726 CO -0.02 0.88 0.20 -0.22 -0.73 0.00 0.00 179.01 179.13 3n3s h LYS 727 N 0.75 1.14 -0.23 1.92 3.64 -1.73 -0.48 116.57 121.58 3n3s h LYS 727 Ca 0.15 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3n3s h LYS 727 Cb 0.46 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3n3s h LYS 727 CO 0.02 0.98 0.06 0.35 -2.27 0.00 0.00 179.45 178.59 3n3s h PHE 728 N 1.08 0.38 -0.41 1.91 3.57 -0.22 0.61 116.94 123.86 3n3s h PHE 728 Ca 0.23 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3n3s h PHE 728 Cb 0.34 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3n3s h PHE 728 CO 0.03 0.47 0.25 0.28 -2.23 0.00 0.00 178.31 177.11 3n3s h VAL 729 N 0.19 1.12 -0.42 1.41 2.07 -1.22 0.18 116.25 119.58 3n3s h VAL 729 Ca 0.07 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3n3s h VAL 729 Cb 0.27 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3n3s h VAL 729 CO 0.00 0.12 0.03 -0.09 0.02 0.00 0.00 177.57 177.65 3n3s h ARG 730 N 0.54 0.73 -0.36 1.57 2.43 -0.89 -0.93 114.38 117.47 3n3s h ARG 730 Ca 0.15 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 3n3s h ARG 730 Cb -0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3n3s h ARG 730 CO -0.03 0.79 -0.37 -0.44 -1.51 0.00 0.00 179.97 178.41 3n3s h ASP 731 N 0.57 0.89 -0.35 -3.80 3.32 -0.68 -1.48 116.42 114.89 3n3s h ASP 731 Ca 0.12 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3n3s h ASP 731 Cb 0.44 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3n3s h ASP 731 CO 0.02 1.16 0.18 0.15 -1.72 0.00 0.00 179.24 179.03 3n3s h PHE 732 N 0.69 0.49 -0.64 4.55 3.57 -0.34 -1.25 116.94 124.01 3n3s h PHE 732 Ca 0.06 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.58 3n3s h PHE 732 Cb 0.94 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 3n3s h PHE 732 CO 0.05 0.40 0.39 0.28 -2.23 0.00 0.00 178.31 177.20 3n3s h VAL 733 N 0.43 1.06 -0.46 1.41 2.07 -1.00 -0.02 116.25 119.74 3n3s h VAL 733 Ca 0.12 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.26 3n3s h VAL 733 Cb 0.08 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3n3s h VAL 733 CO -0.02 0.14 -0.21 0.00 0.02 0.00 0.00 177.57 177.50 3n3s h ALA 734 N 1.29 0.65 0.00 1.67 0.00 -1.04 -0.90 119.26 120.93 3n3s h ALA 734 Ca 0.26 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3n3s h ALA 734 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3n3s h ALA 734 CO -0.12 0.63 -0.84 -0.24 0.00 0.00 0.00 179.25 178.69 3n3s h VAL 735 N 0.81 1.57 -0.50 0.00 3.04 -0.97 -0.50 116.25 119.70 3n3s h VAL 735 Ca 0.10 -2.77 -0.02 0.00 -1.01 0.00 0.00 66.70 63.00 3n3s h VAL 735 Cb 0.79 2.51 -0.02 0.00 -2.01 0.00 0.00 31.29 32.55 3n3s h VAL 735 CO 0.07 0.79 0.21 -0.25 -1.01 0.00 0.00 177.57 177.38 3n3s h TRP 736 N 0.03 0.74 -0.37 3.17 2.91 -0.80 -0.99 115.95 120.65 3n3s h TRP 736 Ca -0.02 -0.05 -0.11 0.00 1.13 0.00 0.00 58.89 59.85 3n3s h TRP 736 Cb 1.47 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.88 3n3s h TRP 736 CO 0.01 0.61 -0.21 -0.97 -1.03 0.00 0.00 178.44 176.84 3n3s h ASN 737 N 0.66 0.71 0.08 2.65 -1.24 -1.01 -0.82 115.58 116.62 3n3s h ASN 737 Ca 0.17 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 56.93 3n3s h ASN 737 Cb 0.17 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.02 3n3s h ASN 737 CO -0.02 0.91 -0.07 0.50 -1.29 0.00 0.00 177.43 177.46 3n3s h LYS 738 N 0.62 -0.16 -0.70 6.67 3.64 -0.73 -1.74 116.57 124.17 3n3s h LYS 738 Ca 0.09 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3n3s h LYS 738 Cb 0.70 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3n3s h LYS 738 CO 0.05 -0.11 0.44 0.28 -2.27 0.00 0.00 179.45 177.84 3n3s h VAL 739 N -0.17 1.20 -0.02 2.00 2.07 -0.79 -2.25 116.25 118.29 3n3s h VAL 739 Ca 0.00 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3n3s h VAL 739 Cb 0.16 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3n3s h VAL 739 CO -0.02 0.20 0.02 0.24 0.02 0.00 0.00 177.57 178.03 3n3s h MET 740 N 0.95 0.00 -0.65 1.57 2.86 -0.68 -2.49 114.93 116.49 3n3s h MET 740 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3n3s h MET 740 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3n3s h MET 740 CO -0.05 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.01 3n3s n ASN 741 N -4.47 3.78 -0.22 1.22 3.02 -0.70 -4.69 115.26 113.22 3n3s n ASN 741 Ca -0.02 -2.00 0.05 0.00 -0.03 0.00 0.00 54.58 52.58 3n3s n ASN 741 Cb 0.11 -0.43 0.30 0.00 -0.61 0.00 0.00 39.78 39.15 3n3s n ASN 741 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n3s h LEU 742 N 4.06 0.76 -2.70 3.41 3.38 -1.11 -1.07 115.31 122.04 3n3s h LEU 742 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n3s h LEU 742 Cb 0.96 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3n3s h LEU 742 CO 0.00 0.50 0.00 -0.90 0.09 0.00 0.00 178.44 178.13 3n3s n ASP 743 N -4.47 4.15 -3.53 -0.43 5.75 -1.26 -4.76 116.55 112.00 3n3s n ASP 743 Ca 0.11 -2.47 -0.40 0.00 -0.01 0.00 0.00 54.79 52.01 3n3s n ASP 743 Cb 0.18 -0.56 -0.01 0.00 -1.03 0.00 0.00 41.12 39.71 3n3s n ASP 743 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3n3s n ARG 744 N 0.74 4.24 0.20 0.11 5.12 -0.41 -4.59 116.66 122.08 3n3s n ARG 744 Ca 0.21 -3.27 0.14 0.00 -1.93 0.00 0.00 57.85 53.00 3n3s n ARG 744 Cb 0.82 -2.73 0.48 0.00 -1.16 0.00 0.00 32.46 29.87 3n3s n ARG 744 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 3n3s h PHE 745 N 4.91 0.00 0.00 -1.55 -1.00 -1.86 -1.87 116.94 115.58 3n3s h PHE 745 Ca 0.67 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.45 3n3s h PHE 745 Cb 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 3n3s h PHE 745 CO 1.58 0.00 0.00 0.38 -1.61 0.00 0.00 178.31 178.66 3n3s h ASP 746 N 0.00 0.00 0.02 2.17 2.03 -1.91 -2.64 116.42 116.08 3n3s h ASP 746 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3n3s h ASP 746 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 3n3s h ASP 746 CO 0.00 0.00 -1.30 0.18 -1.03 0.00 0.00 179.24 177.09 3n3s n LEU 747 N -2.52 0.68 0.00 0.15 4.77 -0.70 -5.18 117.00 114.20 3n3s n LEU 747 Ca -0.01 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3n3s n LEU 747 Cb 0.11 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3n3s n LEU 747 CO 0.16 0.17 0.19 0.00 -1.33 0.00 0.00 177.39 176.57