#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjs n ASN 35 N 0.00 0.37 -4.33 -2.24 3.02 -1.26 -4.93 115.26 105.88 3gjs n ASN 35 Ca 0.00 -0.02 -0.27 0.00 -0.03 0.00 0.00 54.58 54.26 3gjs n ASN 35 Cb 0.00 1.37 -0.13 0.00 -0.61 0.00 0.00 39.78 40.40 3gjs n ASN 35 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gjs s SER 36 N -4.53 2.95 0.34 6.41 0.01 -1.26 -5.12 113.70 112.51 3gjs s SER 36 Ca -0.03 -0.67 -0.28 0.00 1.31 0.00 0.00 55.95 56.27 3gjs s SER 36 Cb 0.13 -0.21 -0.10 0.00 0.21 0.00 0.00 66.02 66.06 3gjs s SER 36 CO 0.86 0.16 1.28 -0.31 0.41 0.00 0.00 173.24 175.64 3gjs s TYR 37 N -1.00 3.06 -0.25 2.43 2.02 -1.26 -4.92 117.35 117.42 3gjs s TYR 37 Ca 0.11 1.45 -0.29 0.00 -0.37 0.00 0.00 57.07 57.96 3gjs s TYR 37 Cb -0.10 -3.63 -0.02 0.00 -0.40 0.00 0.00 41.96 37.81 3gjs s TYR 37 CO 0.04 -1.75 1.64 0.21 -1.57 0.00 0.00 175.55 174.13 3gjs s LYS 38 N -1.87 3.69 -0.16 -0.62 2.20 -1.26 -4.84 119.74 116.88 3gjs s LYS 38 Ca 0.50 1.57 0.17 0.00 -0.36 0.00 0.00 55.97 57.86 3gjs s LYS 38 Cb -0.38 -4.07 0.38 0.00 -1.51 0.00 0.00 37.83 32.24 3gjs s LYS 38 CO 0.50 -1.43 1.24 -1.33 -0.36 0.00 0.00 175.35 173.98 3gjs n MET 39 N 7.85 1.75 -0.83 4.03 2.81 -1.26 -4.66 117.12 126.81 3gjs n MET 39 Ca 0.20 -2.76 -0.01 0.00 -1.81 0.00 0.00 57.70 53.32 3gjs n MET 39 Cb 0.46 -1.62 0.29 0.00 -0.71 0.00 0.00 33.22 31.64 3gjs n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3gjs n ASP 40 N -1.16 4.33 -4.64 7.83 5.75 -1.26 -4.91 116.55 122.49 3gjs n ASP 40 Ca 0.19 -3.23 -0.29 0.00 -0.01 0.00 0.00 54.79 51.45 3gjs n ASP 40 Cb 0.73 -0.67 0.19 0.00 -1.03 0.00 0.00 41.12 40.33 3gjs n ASP 40 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3gjs s TYR 41 N -2.97 1.92 0.57 2.11 1.51 -1.26 -4.88 117.35 114.35 3gjs s TYR 41 Ca 0.50 1.19 0.27 0.00 -1.01 0.00 0.00 57.07 58.02 3gjs s TYR 41 Cb 0.41 -3.19 1.57 0.00 -0.11 0.00 0.00 41.96 40.64 3gjs s TYR 41 CO 0.11 -3.01 2.08 -1.35 -1.11 0.00 0.00 175.55 172.26 3gjs h PRO 42 N -2.00 0.00 -4.80 -1.71 0.11 -1.93 -3.42 132.00 118.25 3gjs h PRO 42 Ca -0.54 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.19 3gjs h PRO 42 Cb 1.31 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.16 3gjs h PRO 42 CO 0.53 0.00 -0.77 -1.21 -0.21 0.00 0.00 178.00 176.34 3gjs s GLU 43 N -4.74 0.72 0.22 1.05 2.02 -0.40 -5.03 118.70 112.54 3gjs s GLU 43 Ca -0.05 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 3gjs s GLU 43 Cb 0.16 -0.67 0.22 0.00 0.10 0.00 0.00 34.13 33.94 3gjs s GLU 43 CO 0.59 0.17 1.66 0.52 0.02 0.00 0.00 175.26 178.23 3gjs h MET 44 N 5.47 0.80 0.00 1.61 2.86 -1.81 0.30 114.93 124.15 3gjs h MET 44 Ca -0.33 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 3gjs h MET 44 Cb 1.18 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3gjs h MET 44 CO 0.47 0.90 0.00 0.41 1.06 0.00 0.00 176.91 179.75 3gjs n GLY 45 N -0.35 0.93 3.87 8.32 0.00 -1.26 -0.87 105.19 115.83 3gjs n GLY 45 Ca 0.01 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 3gjs n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gjs s LEU 46 N 0.00 3.91 -0.33 0.99 1.43 -1.25 -0.94 118.68 122.49 3gjs s LEU 46 Ca 0.00 1.18 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 3gjs s LEU 46 Cb 0.00 -4.04 0.11 0.00 0.03 0.00 0.00 46.19 42.29 3gjs s LEU 46 CO 0.00 -0.33 0.12 0.00 0.23 0.00 0.00 176.35 176.37 3gjs s ILE 48 N 1.40 5.04 -0.28 0.00 1.09 0.00 -1.39 121.20 127.06 3gjs s ILE 48 Ca 0.11 1.10 -0.03 0.00 -1.10 0.00 0.00 60.65 60.73 3gjs s ILE 48 Cb -0.19 -3.91 0.03 0.00 -1.06 0.00 0.00 42.46 37.33 3gjs s ILE 48 CO -0.20 0.11 -0.00 -0.63 -0.10 0.00 0.00 174.94 174.12 3gjs s ILE 49 N 1.96 3.19 -0.42 2.92 1.01 -0.20 -0.04 121.20 129.63 3gjs s ILE 49 Ca 0.27 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 3gjs s ILE 49 Cb -0.16 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.65 3gjs s ILE 49 CO 0.10 0.07 0.31 -0.63 0.00 0.00 0.00 174.94 174.79 3gjs s ILE 50 N 1.35 5.19 -0.55 2.92 1.01 -0.01 -0.94 121.20 130.16 3gjs s ILE 50 Ca -0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 3gjs s ILE 50 Cb -0.18 -3.94 0.14 0.00 0.01 0.00 0.00 42.46 38.49 3gjs s ILE 50 CO -0.02 -0.37 0.43 0.21 0.00 0.00 0.00 174.94 175.20 3gjs s ASN 51 N 1.88 5.80 -0.33 3.58 2.47 0.39 -1.39 114.94 127.35 3gjs s ASN 51 Ca 0.05 -2.19 -0.15 0.00 0.42 0.00 0.00 52.86 50.99 3gjs s ASN 51 Cb -0.20 -2.02 -0.02 0.00 -1.45 0.00 0.00 41.25 37.56 3gjs s ASN 51 CO 0.09 -0.63 0.34 0.20 -3.72 0.00 0.00 177.10 173.38 3gjs s ASN 52 N 2.29 6.16 -0.08 -4.21 0.01 -0.58 -1.25 114.94 117.28 3gjs s ASN 52 Ca 0.09 -0.17 0.01 0.00 -0.71 0.00 0.00 52.86 52.08 3gjs s ASN 52 Cb -0.23 -2.19 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 3gjs s ASN 52 CO -0.02 -0.29 -0.07 1.17 -1.51 0.00 0.00 177.10 176.37 3gjs n LYS 53 N 5.33 0.21 -4.23 -0.60 4.81 -1.26 -4.50 118.16 117.93 3gjs n LYS 53 Ca -0.10 0.05 -0.34 0.00 -0.87 0.00 0.00 58.31 57.05 3gjs n LYS 53 Cb 0.50 -1.17 -0.13 0.00 0.02 0.00 0.00 35.03 34.25 3gjs n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 3gjs s ASN 54 N -4.81 4.72 0.27 3.14 0.01 -1.26 -1.65 114.94 115.37 3gjs s ASN 54 Ca -0.11 -0.20 0.11 0.00 -0.71 0.00 0.00 52.86 51.96 3gjs s ASN 54 Cb 0.03 -1.79 -0.05 0.00 0.41 0.00 0.00 41.25 39.85 3gjs s ASN 54 CO 0.19 0.10 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.36 3gjs s PHE 55 N 0.75 2.37 0.30 2.20 0.40 -1.26 -4.75 117.98 117.99 3gjs s PHE 55 Ca -0.01 -0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 55.72 3gjs s PHE 55 Cb -0.14 -1.05 -0.10 0.00 0.51 0.00 0.00 43.02 42.24 3gjs s PHE 55 CO 0.02 0.68 1.27 -1.58 0.70 0.00 0.00 175.22 176.31 3gjs s HIS 56 N -2.39 3.17 0.26 0.36 5.65 -0.79 -4.92 115.29 116.63 3gjs s HIS 56 Ca 0.29 1.43 -0.03 0.00 0.25 0.00 0.00 55.06 57.01 3gjs s HIS 56 Cb -0.06 -3.61 0.55 0.00 -1.18 0.00 0.00 32.58 28.29 3gjs s HIS 56 CO 0.15 -1.65 1.65 0.87 -0.65 0.00 0.00 174.74 175.12 3gjs h LYS 57 N 3.74 0.19 -0.55 2.88 1.57 -1.92 -0.63 116.57 121.86 3gjs h LYS 57 Ca -0.48 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.45 3gjs h LYS 57 Cb 1.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3gjs h LYS 57 CO 0.67 0.13 0.75 0.66 -0.57 0.00 0.00 179.45 181.09 3gjs h SER 58 N 0.20 0.00 1.64 0.86 4.64 -1.97 0.91 113.55 119.82 3gjs h SER 58 Ca 0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.77 3gjs h SER 58 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3gjs h SER 58 CO -0.62 0.00 -0.36 0.71 -0.87 0.00 0.00 176.83 175.69 3gjs h THR 59 N 0.00 0.11 -0.06 2.95 1.35 -1.46 -3.47 112.91 112.33 3gjs h THR 59 Ca 0.26 -1.17 -0.03 0.00 -0.55 0.00 0.00 66.41 64.92 3gjs h THR 59 Cb 1.75 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 70.08 3gjs h THR 59 CO -0.00 0.06 -0.02 0.61 -0.25 0.00 0.00 175.52 175.92 3gjs n GLY 60 N 1.15 0.38 3.63 5.82 0.00 0.31 -4.98 105.19 111.51 3gjs n GLY 60 Ca 0.02 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3gjs n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gjs s MET 61 N -1.18 4.12 0.58 1.61 -2.45 -1.26 -5.06 119.30 115.66 3gjs s MET 61 Ca 0.00 0.42 -0.15 0.00 -1.25 0.00 0.00 55.69 54.70 3gjs s MET 61 Cb 0.00 -3.62 -0.05 0.00 1.25 0.00 0.00 34.83 32.41 3gjs s MET 61 CO 0.00 -0.30 1.03 0.95 1.05 0.00 0.00 175.02 177.75 3gjs s THR 62 N 2.13 4.15 0.11 10.11 -4.23 -1.26 -4.52 115.64 122.13 3gjs s THR 62 Ca 0.24 0.97 -0.36 0.00 -1.18 0.00 0.00 61.69 61.36 3gjs s THR 62 Cb -0.16 -3.54 -0.16 0.00 1.34 0.00 0.00 72.50 69.98 3gjs s THR 62 CO 0.09 -0.65 1.35 -0.24 -0.54 0.00 0.00 174.62 174.63 3gjs n SER 63 N -2.02 1.81 -3.79 3.99 2.88 -1.26 -4.84 113.62 110.39 3gjs n SER 63 Ca 0.08 1.12 -0.42 0.00 -1.33 0.00 0.00 58.87 58.31 3gjs n SER 63 Cb 0.53 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3gjs n SER 63 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gjs n ARG 64 N 2.51 3.08 -1.63 -1.46 1.74 -0.66 -4.97 116.66 115.27 3gjs n ARG 64 Ca 0.18 -2.88 -0.48 0.00 -0.77 0.00 0.00 57.85 53.89 3gjs n ARG 64 Cb 0.21 -3.19 -0.05 0.00 -1.02 0.00 0.00 32.46 28.42 3gjs n ARG 64 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3gjs n SER 65 N 5.51 2.40 0.00 0.55 7.64 -1.26 -2.03 113.62 126.43 3gjs n SER 65 Ca 0.48 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.47 3gjs n SER 65 Cb 0.38 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 3gjs n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gjs n GLY 66 N 2.88 0.98 0.24 0.23 0.00 -1.26 -4.94 105.19 103.32 3gjs n GLY 66 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3gjs n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gjs h THR 67 N 0.00 0.75 -0.34 2.61 1.03 -1.82 -2.27 112.91 112.87 3gjs h THR 67 Ca 0.00 -0.73 -0.09 0.00 -0.01 0.00 0.00 66.41 65.57 3gjs h THR 67 Cb 0.00 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.51 3gjs h THR 67 CO 0.00 0.18 -0.17 0.44 -0.01 0.00 0.00 175.52 175.95 3gjs h ASP 68 N 0.00 0.63 -0.63 0.00 3.32 -1.92 -0.70 116.42 117.11 3gjs h ASP 68 Ca -0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3gjs h ASP 68 Cb 0.43 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3gjs h ASP 68 CO 0.02 0.81 0.33 0.58 -1.72 0.00 0.00 179.24 179.27 3gjs h VAL 69 N 0.57 1.21 0.12 -1.35 2.07 -1.83 -0.92 116.25 116.12 3gjs h VAL 69 Ca 0.09 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3gjs h VAL 69 Cb 0.62 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3gjs h VAL 69 CO 0.04 0.23 -0.06 0.44 0.02 0.00 0.00 177.57 178.24 3gjs h ASP 70 N 0.86 -0.14 -0.90 0.57 3.32 -1.36 -1.54 116.42 117.23 3gjs h ASP 70 Ca 0.22 -0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.31 3gjs h ASP 70 Cb 0.06 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.58 3gjs h ASP 70 CO -0.03 -0.04 0.55 0.00 -1.72 0.00 0.00 179.24 177.99 3gjs h ALA 71 N 0.65 1.29 -0.24 3.45 0.00 -0.86 0.45 119.26 123.99 3gjs h ALA 71 Ca -0.02 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3gjs h ALA 71 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gjs h ALA 71 CO 0.03 0.21 -0.62 0.00 0.00 0.00 0.00 179.25 178.87 3gjs h ALA 72 N 1.47 0.44 -0.28 0.00 0.00 -1.05 -1.95 119.26 117.87 3gjs h ALA 72 Ca 0.42 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gjs h ALA 72 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gjs h ALA 72 CO -0.23 0.68 0.17 -0.97 0.00 0.00 0.00 179.25 178.91 3gjs h ASN 73 N 0.62 0.34 -0.36 0.00 -1.24 -0.73 -1.72 115.58 112.49 3gjs h ASN 73 Ca -0.01 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 3gjs h ASN 73 Cb 1.23 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.17 3gjs h ASN 73 CO 0.13 0.30 0.18 -0.07 -1.29 0.00 0.00 177.43 176.68 3gjs h LEU 74 N 0.36 0.47 -0.31 0.34 3.38 -0.90 0.11 115.31 118.75 3gjs h LEU 74 Ca 0.10 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3gjs h LEU 74 Cb 0.02 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3gjs h LEU 74 CO -0.02 0.46 0.03 -0.09 0.09 0.00 0.00 178.44 178.91 3gjs h ARG 75 N 0.45 0.13 -0.34 1.13 2.43 -1.15 0.67 114.38 117.69 3gjs h ARG 75 Ca 0.13 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3gjs h ARG 75 Cb 0.11 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3gjs h ARG 75 CO -0.02 0.08 -0.07 1.49 -1.51 0.00 0.00 179.97 179.94 3gjs h GLU 76 N 0.13 0.65 -0.04 0.20 4.57 -1.14 -0.95 114.58 118.00 3gjs h GLU 76 Ca 0.15 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3gjs h GLU 76 Cb 0.18 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3gjs h GLU 76 CO -0.22 0.82 -0.05 1.15 -1.18 0.00 0.00 179.01 179.53 3gjs h THR 77 N 0.44 0.86 0.00 0.32 2.02 -0.35 -1.96 112.91 114.24 3gjs h THR 77 Ca 0.09 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 3gjs h THR 77 Cb 0.57 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3gjs h THR 77 CO 0.03 0.00 -0.47 -0.26 0.37 0.00 0.00 175.52 175.19 3gjs h PHE 78 N -0.07 0.00 -0.84 3.16 0.04 -0.89 -2.79 116.94 115.55 3gjs h PHE 78 Ca 0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3gjs h PHE 78 Cb 0.11 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 3gjs h PHE 78 CO -0.14 0.47 0.45 -0.09 -0.60 0.00 0.00 178.31 178.40 3gjs h ARG 79 N 0.00 1.18 0.00 1.51 2.43 -0.76 -1.28 114.38 117.46 3gjs h ARG 79 Ca -0.00 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 3gjs h ARG 79 Cb 0.95 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3gjs h ARG 79 CO 0.06 0.88 -0.13 -0.91 -1.51 0.00 0.00 179.97 178.36 3gjs h ASN 80 N 1.18 0.00 -0.09 -3.80 2.35 -1.11 -1.90 115.58 112.21 3gjs h ASN 80 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3gjs h ASN 80 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3gjs h ASN 80 CO -0.05 0.13 0.00 0.18 -1.65 0.00 0.00 177.43 176.04 3gjs n LEU 81 N -3.26 1.18 -0.21 1.61 4.77 -0.57 -4.92 117.00 115.59 3gjs n LEU 81 Ca 0.00 -0.47 -0.02 0.00 -0.03 0.00 0.00 56.01 55.50 3gjs n LEU 81 Cb 0.38 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3gjs n LEU 81 CO 0.31 0.23 -0.03 0.29 -1.33 0.00 0.00 177.39 176.87 3gjs n LYS 82 N -0.03 -0.17 -3.26 3.23 4.76 -0.71 -4.94 118.16 117.04 3gjs n LYS 82 Ca 0.17 0.31 -0.29 0.00 -2.87 0.00 0.00 58.31 55.63 3gjs n LYS 82 Cb 0.27 -3.92 -0.04 0.00 -1.84 0.00 0.00 35.03 29.50 3gjs n LYS 82 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3gjs s TYR 83 N -2.10 3.47 -0.71 2.13 1.51 -0.68 -4.11 117.35 116.86 3gjs s TYR 83 Ca 0.00 0.76 -0.21 0.00 -1.01 0.00 0.00 57.07 56.61 3gjs s TYR 83 Cb 0.00 -2.20 0.09 0.00 -0.11 0.00 0.00 41.96 39.75 3gjs s TYR 83 CO 0.00 0.14 0.95 -2.00 -1.11 0.00 0.00 175.55 173.53 3gjs s GLU 84 N -3.47 3.22 0.02 -0.62 2.12 -0.11 -4.52 118.70 115.32 3gjs s GLU 84 Ca 0.46 -1.16 -0.26 0.00 0.36 0.00 0.00 54.97 54.37 3gjs s GLU 84 Cb -0.11 -4.40 -0.05 0.00 0.26 0.00 0.00 34.13 29.84 3gjs s GLU 84 CO 0.29 -1.75 0.82 0.08 -0.54 0.00 0.00 175.26 174.16 3gjs s VAL 85 N 3.46 4.81 -0.14 3.70 1.01 -1.26 -1.36 120.40 130.62 3gjs s VAL 85 Ca 0.23 1.74 -0.00 0.00 0.00 0.00 0.00 61.98 63.94 3gjs s VAL 85 Cb -0.15 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.09 3gjs s VAL 85 CO 0.05 0.29 -0.07 -0.13 0.00 0.00 0.00 175.10 175.23 3gjs s ARG 86 N 0.39 1.49 -0.20 2.72 0.52 -0.49 -4.95 118.95 118.44 3gjs s ARG 86 Ca 0.42 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 55.17 3gjs s ARG 86 Cb -0.20 -1.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.45 3gjs s ARG 86 CO 0.24 -0.34 0.14 -0.80 0.02 0.00 0.00 175.30 174.56 3gjs s ASN 87 N 1.68 6.22 -0.06 0.23 -0.87 -1.26 -1.03 114.94 119.84 3gjs s ASN 87 Ca 0.03 0.24 0.04 0.00 -1.57 0.00 0.00 52.86 51.60 3gjs s ASN 87 Cb -0.14 -2.09 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 3gjs s ASN 87 CO -0.08 0.18 -0.18 -0.54 -2.57 0.00 0.00 177.10 173.90 3gjs s LYS 88 N 0.36 2.12 0.01 -0.60 -0.14 -0.11 -4.98 119.74 116.39 3gjs s LYS 88 Ca 0.08 -0.65 0.03 0.00 -1.36 0.00 0.00 55.97 54.08 3gjs s LYS 88 Cb -0.11 -1.74 -0.03 0.00 -1.68 0.00 0.00 37.83 34.26 3gjs s LYS 88 CO -0.02 0.19 -0.07 -0.80 -0.76 0.00 0.00 175.35 173.89 3gjs s ASN 89 N 0.23 4.57 -0.54 2.83 0.02 -1.26 -0.46 114.94 120.33 3gjs s ASN 89 Ca -0.10 -0.16 -0.30 0.00 -1.02 0.00 0.00 52.86 51.28 3gjs s ASN 89 Cb -0.14 -1.05 0.04 0.00 0.02 0.00 0.00 41.25 40.12 3gjs s ASN 89 CO 0.04 0.28 0.65 0.47 0.02 0.00 0.00 177.10 178.56 3gjs n ASP 90 N 1.55 -5.27 -4.75 -1.22 8.00 -0.38 -4.95 116.55 109.52 3gjs n ASP 90 Ca -0.15 -0.37 -0.35 0.00 0.71 0.00 0.00 54.79 54.63 3gjs n ASP 90 Cb 0.52 -1.59 -0.08 0.00 -0.02 0.00 0.00 41.12 39.96 3gjs n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gjs s LEU 91 N -3.08 3.84 0.86 0.64 1.43 -1.26 -4.93 118.68 116.18 3gjs s LEU 91 Ca 0.29 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 3gjs s LEU 91 Cb -0.03 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 44.28 3gjs s LEU 91 CO 0.88 0.35 1.11 0.42 0.23 0.00 0.00 176.35 179.34 3gjs s THR 92 N -1.02 2.59 0.34 5.49 -4.23 -1.26 -1.20 115.64 116.35 3gjs s THR 92 Ca 0.17 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 3gjs s THR 92 Cb -0.12 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.12 3gjs s THR 92 CO 0.06 -0.25 1.93 0.08 -0.54 0.00 0.00 174.62 175.91 3gjs h ARG 93 N -1.33 0.84 -0.37 3.99 0.11 -1.83 -1.30 114.38 114.48 3gjs h ARG 93 Ca -0.49 -0.05 -0.10 0.00 0.10 0.00 0.00 59.98 59.44 3gjs h ARG 93 Cb 1.30 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 32.18 3gjs h ARG 93 CO 0.60 0.56 -0.16 0.93 0.10 0.00 0.00 179.97 181.99 3gjs h GLU 94 N 0.87 0.76 -0.15 0.08 3.07 -1.95 -2.86 114.58 114.41 3gjs h GLU 94 Ca 0.35 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 3gjs h GLU 94 Cb 0.26 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3gjs h GLU 94 CO -0.13 0.94 -0.22 0.93 -1.40 0.00 0.00 179.01 179.13 3gjs h GLU 95 N 0.56 0.25 -0.14 2.33 5.08 -1.71 -1.32 114.58 119.64 3gjs h GLU 95 Ca 0.09 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3gjs h GLU 95 Cb 0.70 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3gjs h GLU 95 CO 0.05 0.47 0.02 0.82 -1.00 0.00 0.00 179.01 179.37 3gjs h ILE 96 N 0.23 1.22 -0.72 3.13 2.04 -1.20 -0.09 117.51 122.13 3gjs h ILE 96 Ca 0.04 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 3gjs h ILE 96 Cb 0.53 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3gjs h ILE 96 CO 0.04 0.21 0.36 0.58 0.00 0.00 0.00 178.15 179.34 3gjs h VAL 97 N 0.01 1.23 -0.35 1.67 2.07 -1.28 -1.08 116.25 118.53 3gjs h VAL 97 Ca 0.04 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 3gjs h VAL 97 Cb 0.31 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3gjs h VAL 97 CO 0.00 0.27 -0.22 -0.33 0.02 0.00 0.00 177.57 177.32 3gjs h GLU 98 N 1.01 0.68 -0.23 1.57 5.08 -1.12 -1.42 114.58 120.14 3gjs h GLU 98 Ca 0.25 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3gjs h GLU 98 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3gjs h GLU 98 CO -0.03 0.84 -0.01 1.25 -1.00 0.00 0.00 179.01 180.06 3gjs h LEU 99 N 0.60 0.40 -0.74 1.33 5.85 -0.66 -1.60 115.31 120.48 3gjs h LEU 99 Ca 0.09 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3gjs h LEU 99 Cb 0.69 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3gjs h LEU 99 CO 0.05 0.62 0.29 0.24 -0.34 0.00 0.00 178.44 179.31 3gjs h MET 100 N 0.17 1.10 0.21 1.25 2.86 -1.11 -0.55 114.93 118.86 3gjs h MET 100 Ca 0.06 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3gjs h MET 100 Cb 0.42 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3gjs h MET 100 CO 0.01 0.91 -0.10 -0.09 1.06 0.00 0.00 176.91 178.70 3gjs h ARG 101 N 1.06 -0.27 -0.41 1.72 2.43 -1.19 -0.27 114.38 117.45 3gjs h ARG 101 Ca 0.25 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3gjs h ARG 101 Cb 0.22 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3gjs h ARG 101 CO -0.02 -0.14 0.22 -0.44 -1.51 0.00 0.00 179.97 178.08 3gjs h ASP 102 N -0.33 0.33 -0.56 -3.80 5.19 -1.10 -1.89 116.42 114.25 3gjs h ASP 102 Ca -0.03 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3gjs h ASP 102 Cb 0.26 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 3gjs h ASP 102 CO 0.05 0.23 0.33 0.58 -3.12 0.00 0.00 179.24 177.32 3gjs h VAL 103 N 0.44 1.17 0.00 -1.35 2.07 -0.99 -1.71 116.25 115.88 3gjs h VAL 103 Ca 0.17 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3gjs h VAL 103 Cb 0.06 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3gjs h VAL 103 CO -0.11 0.18 0.00 0.77 0.02 0.00 0.00 177.57 178.43 3gjs h SER 104 N 0.76 0.00 -0.04 0.57 4.64 -0.69 -1.86 113.55 116.93 3gjs h SER 104 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3gjs h SER 104 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gjs h SER 104 CO -0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.21 3gjs n LYS 105 N -2.78 1.89 -1.65 4.77 5.02 -0.66 -4.77 118.16 119.98 3gjs n LYS 105 Ca -0.00 -1.29 -0.30 0.00 -2.02 0.00 0.00 58.31 54.70 3gjs n LYS 105 Cb 0.19 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 33.81 3gjs n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gjs s GLU 106 N -1.97 2.27 -0.60 1.97 2.02 -0.70 -4.98 118.70 116.70 3gjs s GLU 106 Ca 0.35 0.57 -0.21 0.00 0.02 0.00 0.00 54.97 55.70 3gjs s GLU 106 Cb 0.21 -1.94 0.07 0.00 0.10 0.00 0.00 34.13 32.56 3gjs s GLU 106 CO 0.32 -1.48 0.85 0.34 0.02 0.00 0.00 175.26 175.31 3gjs s ASP 107 N -4.04 6.21 -0.08 -0.19 2.15 -1.26 -4.88 116.67 114.57 3gjs s ASP 107 Ca 0.60 -0.99 0.11 0.00 0.43 0.00 0.00 52.55 52.70 3gjs s ASP 107 Cb -0.13 -2.37 0.46 0.00 -0.30 0.00 0.00 42.92 40.57 3gjs s ASP 107 CO 0.53 -1.25 1.30 1.41 -0.17 0.00 0.00 175.17 176.99 3gjs n HIS 108 N 7.12 0.99 -0.24 -5.34 8.25 -1.26 -4.58 115.22 120.15 3gjs n HIS 108 Ca -0.05 -0.38 0.04 0.00 -0.26 0.00 0.00 57.72 57.07 3gjs n HIS 108 Cb 0.45 -0.20 0.15 0.00 1.12 0.00 0.00 29.99 31.51 3gjs n HIS 108 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3gjs h SER 109 N 2.56 -0.22 -0.29 0.41 0.02 -1.90 -0.88 113.55 113.25 3gjs h SER 109 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3gjs h SER 109 Cb 1.06 0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3gjs h SER 109 CO 0.17 -0.12 0.00 0.29 -1.14 0.00 0.00 176.83 176.03 3gjs n LYS 110 N -5.27 2.30 -4.75 3.45 5.02 -1.26 -4.86 118.16 112.78 3gjs n LYS 110 Ca 0.13 -1.31 -0.33 0.00 -2.02 0.00 0.00 58.31 54.78 3gjs n LYS 110 Cb 0.44 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 3gjs n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3gjs s ARG 111 N -1.68 2.61 0.19 1.97 0.52 -0.34 -1.27 118.95 120.95 3gjs s ARG 111 Ca 0.23 -0.63 0.10 0.00 -0.52 0.00 0.00 55.73 54.91 3gjs s ARG 111 Cb 0.15 -2.48 -0.01 0.00 0.52 0.00 0.00 34.95 33.14 3gjs s ARG 111 CO 0.11 0.64 1.40 0.77 0.02 0.00 0.00 175.30 178.23 3gjs h SER 112 N 5.27 0.00 -1.91 0.23 0.02 -0.29 -3.47 113.55 113.39 3gjs h SER 112 Ca -0.48 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 3gjs h SER 112 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3gjs h SER 112 CO 0.51 0.81 0.08 -1.54 -1.14 0.00 0.00 176.83 175.55 3gjs n SER 113 N -3.42 -0.85 -3.81 3.07 3.41 -0.04 -4.25 113.62 107.73 3gjs n SER 113 Ca 0.00 -1.65 -0.13 0.00 -0.26 0.00 0.00 58.87 56.83 3gjs n SER 113 Cb 0.82 1.43 -0.13 0.00 -0.26 0.00 0.00 64.21 66.07 3gjs n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gjs s PHE 114 N -5.93 -0.15 -0.01 7.33 5.36 -0.77 -3.94 117.98 119.86 3gjs s PHE 114 Ca 0.07 0.38 0.03 0.00 -0.96 0.00 0.00 56.93 56.45 3gjs s PHE 114 Cb -0.02 0.02 -0.00 0.00 -0.34 0.00 0.00 43.02 42.67 3gjs s PHE 114 CO 0.05 -0.09 -0.09 0.08 -1.46 0.00 0.00 175.22 173.71 3gjs s VAL 115 N 0.35 0.74 -0.03 3.12 1.01 -0.02 -0.49 120.40 125.08 3gjs s VAL 115 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3gjs s VAL 115 Cb -0.04 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.74 3gjs s VAL 115 CO -0.01 0.22 0.04 0.00 0.00 0.00 0.00 175.10 175.35 3gjs s VAL 117 N 1.43 2.66 -0.21 0.00 1.01 0.95 -0.79 120.40 125.46 3gjs s VAL 117 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3gjs s VAL 117 Cb -0.13 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 3gjs s VAL 117 CO -0.03 0.53 -0.08 -0.76 0.00 0.00 0.00 175.10 174.76 3gjs s LEU 118 N 0.55 2.74 -0.29 3.92 1.43 0.20 -0.83 118.68 126.40 3gjs s LEU 118 Ca -0.10 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3gjs s LEU 118 Cb -0.16 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.44 3gjs s LEU 118 CO 0.04 -0.00 -0.04 -0.76 0.23 0.00 0.00 176.35 175.82 3gjs s LEU 119 N 1.36 3.81 0.00 1.79 1.43 -0.49 -0.69 118.68 125.89 3gjs s LEU 119 Ca 0.04 -1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 51.60 3gjs s LEU 119 Cb -0.14 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.48 3gjs s LEU 119 CO -0.05 -0.25 0.57 -0.24 0.23 0.00 0.00 176.35 176.62 3gjs n SER 120 N 4.51 -0.70 -4.90 2.29 2.88 -0.77 -1.52 113.62 115.41 3gjs n SER 120 Ca -0.12 -1.26 -0.28 0.00 -1.33 0.00 0.00 58.87 55.88 3gjs n SER 120 Cb 0.43 1.11 0.03 0.00 -0.75 0.00 0.00 64.21 65.03 3gjs n SER 120 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3gjs s HIS 121 N -3.23 3.34 0.18 0.66 2.46 -1.26 -3.98 115.29 113.47 3gjs s HIS 121 Ca 0.13 0.81 -0.22 0.00 0.47 0.00 0.00 55.06 56.26 3gjs s HIS 121 Cb -0.01 -2.76 0.08 0.00 -0.13 0.00 0.00 32.58 29.76 3gjs s HIS 121 CO 0.01 -0.83 1.05 0.20 -2.47 0.00 0.00 174.74 172.70 3gjs s GLY 122 N -4.28 0.13 0.24 1.59 0.00 -1.26 -1.53 107.32 102.21 3gjs s GLY 122 Ca 0.54 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 3gjs s GLY 122 CO 0.47 2.72 0.22 -0.54 0.00 0.00 0.00 173.10 175.98 3gjs s GLU 123 N -2.10 1.38 -0.11 2.90 2.02 -0.85 -4.22 118.70 117.71 3gjs s GLU 123 Ca 0.23 -1.65 -0.35 0.00 0.02 0.00 0.00 54.97 53.22 3gjs s GLU 123 Cb -0.03 0.32 -0.13 0.00 0.10 0.00 0.00 34.13 34.39 3gjs s GLU 123 CO 0.05 -0.49 1.84 -1.91 0.02 0.00 0.00 175.26 174.77 3gjs n GLU 124 N -0.36 1.98 -0.94 1.61 4.07 -1.17 -0.45 120.64 125.39 3gjs n GLU 124 Ca 0.02 0.73 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 3gjs n GLU 124 Cb 0.65 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.49 3gjs n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gjs n GLY 125 N 4.32 0.45 3.12 8.31 0.00 -1.26 -4.99 105.19 115.13 3gjs n GLY 125 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 3gjs n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gjs s ILE 126 N -2.12 1.05 0.04 -0.61 1.01 0.41 -1.25 121.20 119.74 3gjs s ILE 126 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.89 3gjs s ILE 126 Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 3gjs s ILE 126 CO 0.00 0.10 -0.20 -0.51 0.00 0.00 0.00 174.94 174.33 3gjs s ILE 127 N -0.66 1.60 -0.24 2.92 1.10 -0.58 -2.01 121.20 123.35 3gjs s ILE 127 Ca 0.03 -1.19 -0.12 0.00 -0.51 0.00 0.00 60.65 58.86 3gjs s ILE 127 Cb -0.07 -1.40 -0.05 0.00 0.15 0.00 0.00 42.46 41.10 3gjs s ILE 127 CO 0.01 0.17 0.25 -0.36 -2.11 0.00 0.00 174.94 172.90 3gjs s PHE 128 N -0.82 3.32 0.79 3.50 0.08 -0.59 -1.12 117.98 123.15 3gjs s PHE 128 Ca 0.07 0.34 -0.11 0.00 0.12 0.00 0.00 56.93 57.34 3gjs s PHE 128 Cb -0.09 -2.38 0.08 0.00 -0.57 0.00 0.00 43.02 40.06 3gjs s PHE 128 CO 0.02 -0.00 1.16 0.20 -0.10 0.00 0.00 175.22 176.49 3gjs s GLY 129 N 1.17 1.60 0.54 4.36 0.00 0.20 -4.65 107.32 110.54 3gjs s GLY 129 Ca 0.11 -0.67 0.20 0.00 0.00 0.00 0.00 44.72 44.36 3gjs s GLY 129 CO 0.06 -0.20 2.16 -0.91 0.00 0.00 0.00 173.10 174.22 3gjs h THR 130 N -0.99 0.87 -0.30 0.90 1.35 -1.42 -2.73 112.91 110.59 3gjs h THR 130 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3gjs h THR 130 Cb 1.33 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3gjs h THR 130 CO 0.65 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.46 3gjs n ASN 131 N -4.36 2.94 0.00 5.36 6.94 -1.26 -1.88 115.26 123.00 3gjs n ASN 131 Ca -0.02 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 3gjs n ASN 131 Cb 0.13 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 3gjs n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gjs n GLY 132 N 0.97 1.72 3.83 4.83 0.00 -1.03 -4.94 105.19 110.57 3gjs n GLY 132 Ca 0.14 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 3gjs n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gjs s PRO 133 N -2.00 3.87 -0.06 1.61 0.04 -1.26 0.60 135.00 137.81 3gjs s PRO 133 Ca 0.00 1.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 3gjs s PRO 133 Cb 0.00 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3gjs s PRO 133 CO 0.00 -0.34 0.14 0.54 0.04 0.00 0.00 177.00 177.39 3gjs s VAL 134 N -2.55 -0.01 0.28 -0.36 0.11 -0.28 -4.84 120.40 112.76 3gjs s VAL 134 Ca 0.60 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.39 3gjs s VAL 134 Cb -0.11 -0.21 -0.10 0.00 -1.53 0.00 0.00 36.38 34.43 3gjs s VAL 134 CO 0.31 0.01 1.29 -1.81 -3.33 0.00 0.00 175.10 171.57 3gjs s ASP 135 N 0.30 6.86 0.31 3.54 1.01 -1.26 -1.52 116.67 125.91 3gjs s ASP 135 Ca -0.02 2.56 0.03 0.00 0.71 0.00 0.00 52.55 55.83 3gjs s ASP 135 Cb -0.03 -2.63 0.53 0.00 1.01 0.00 0.00 42.92 41.79 3gjs s ASP 135 CO -0.01 -0.50 1.83 -0.07 0.21 0.00 0.00 175.17 176.63 3gjs h LEU 136 N 4.09 0.53 -1.11 1.23 3.38 -1.52 -2.58 115.31 119.33 3gjs h LEU 136 Ca -0.47 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.42 3gjs h LEU 136 Cb 1.22 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3gjs h LEU 136 CO 0.70 0.63 0.60 0.50 0.09 0.00 0.00 178.44 180.96 3gjs h LYS 137 N 0.53 1.11 -0.82 1.13 1.63 -1.91 -0.92 116.57 117.31 3gjs h LYS 137 Ca 0.11 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3gjs h LYS 137 Cb 0.41 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 3gjs h LYS 137 CO 0.02 0.73 0.55 -0.22 -3.45 0.00 0.00 179.45 177.08 3gjs h LYS 138 N 1.14 1.08 0.03 1.90 1.63 -1.85 -0.95 116.57 119.55 3gjs h LYS 138 Ca 0.37 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3gjs h LYS 138 Cb 0.04 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 3gjs h LYS 138 CO -0.12 0.71 -0.02 0.82 -3.45 0.00 0.00 179.45 177.40 3gjs h ILE 139 N 1.11 1.39 0.00 2.00 1.08 -1.20 -3.33 117.51 118.56 3gjs h ILE 139 Ca 0.30 -1.52 -0.04 0.00 -0.39 0.00 0.00 64.86 63.21 3gjs h ILE 139 Cb -0.11 2.38 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 3gjs h ILE 139 CO -0.07 0.38 -0.21 0.71 -0.69 0.00 0.00 178.15 178.27 3gjs h THR 140 N -0.73 0.68 0.00 -0.27 1.35 -1.16 -3.13 112.91 109.65 3gjs h THR 140 Ca -0.00 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 3gjs h THR 140 Cb 0.65 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3gjs h THR 140 CO 0.01 0.21 -0.03 0.78 -0.25 0.00 0.00 175.52 176.23 3gjs h ASN 141 N 0.00 0.00 0.09 5.36 2.35 -1.27 -1.61 115.58 120.49 3gjs h ASN 141 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gjs h ASN 141 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3gjs h ASN 141 CO 0.03 0.03 -0.02 -0.26 -1.65 0.00 0.00 177.43 175.56 3gjs h PHE 142 N 0.00 0.00 -0.60 1.19 0.04 -1.71 -1.97 116.94 113.89 3gjs h PHE 142 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gjs h PHE 142 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3gjs h PHE 142 CO 0.00 0.02 0.00 1.19 -0.60 0.00 0.00 178.31 178.92 3gjs n PHE 143 N -3.58 0.96 -1.64 -0.55 3.72 -0.61 -4.04 117.46 111.73 3gjs n PHE 143 Ca -0.03 -0.54 -0.39 0.00 -0.05 0.00 0.00 57.45 56.44 3gjs n PHE 143 Cb 0.11 -0.08 0.04 0.00 -0.94 0.00 0.00 39.48 38.61 3gjs n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3gjs n ARG 144 N 1.15 1.24 -0.05 -1.08 1.74 -0.74 -4.61 116.66 114.30 3gjs n ARG 144 Ca 0.21 0.46 0.25 0.00 -0.77 0.00 0.00 57.85 58.00 3gjs n ARG 144 Cb 0.64 -2.20 0.67 0.00 -1.02 0.00 0.00 32.46 30.55 3gjs n ARG 144 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3gjs h GLY 145 N 1.07 0.00 -0.15 -0.13 0.00 -1.91 0.98 103.07 102.93 3gjs h GLY 145 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3gjs h GLY 145 CO 0.54 0.00 -0.91 2.09 0.00 0.00 0.00 176.54 178.27 3gjs n ASP 146 N -3.65 1.14 -0.01 0.19 5.75 -1.26 -4.39 116.55 114.32 3gjs n ASP 146 Ca 0.14 -1.07 0.09 0.00 -0.01 0.00 0.00 54.79 53.94 3gjs n ASP 146 Cb 0.95 0.92 -0.14 0.00 -1.03 0.00 0.00 41.12 41.82 3gjs n ASP 146 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gjs n ARG 147 N -1.27 0.60 -3.55 0.11 1.74 0.26 -4.65 116.66 109.90 3gjs n ARG 147 Ca 0.05 -0.16 -0.27 0.00 -0.77 0.00 0.00 57.85 56.70 3gjs n ARG 147 Cb 0.35 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 3gjs n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gjs h ARG 149 N 5.37 0.20 0.00 0.00 2.47 -1.83 -1.56 114.38 119.03 3gjs h ARG 149 Ca 0.21 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3gjs h ARG 149 Cb 0.84 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 3gjs h ARG 149 CO 0.52 0.13 0.00 -1.13 0.56 0.00 0.00 179.97 180.05 3gjs n SER 150 N -4.43 0.00 0.00 7.04 3.41 -1.26 -2.41 113.62 115.96 3gjs n SER 150 Ca 0.10 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3gjs n SER 150 Cb 0.51 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3gjs n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gjs n LEU 151 N -1.10 1.30 -4.72 1.04 4.77 -0.60 -4.06 117.00 113.64 3gjs n LEU 151 Ca 0.13 -1.30 -0.43 0.00 -0.03 0.00 0.00 56.01 54.38 3gjs n LEU 151 Cb 0.10 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3gjs n LEU 151 CO 0.13 0.33 1.27 0.41 -1.33 0.00 0.00 177.39 178.19 3gjs n THR 152 N -0.22 0.54 -0.94 -5.08 -1.04 -1.01 -1.46 114.28 105.07 3gjs n THR 152 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3gjs n THR 152 Cb 0.16 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 3gjs n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gjs n GLY 153 N 2.95 0.55 3.56 3.41 0.00 -1.26 -5.01 105.19 109.39 3gjs n GLY 153 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3gjs n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gjs s LYS 154 N -0.40 2.31 0.12 1.61 1.02 -0.54 -4.97 119.74 118.90 3gjs s LYS 154 Ca 0.00 -0.88 -0.31 0.00 0.02 0.00 0.00 55.97 54.80 3gjs s LYS 154 Cb 0.00 -2.37 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 3gjs s LYS 154 CO 0.00 0.56 1.64 -1.25 -0.92 0.00 0.00 175.35 175.37 3gjs s PRO 155 N -1.69 4.20 -0.30 -1.68 0.04 -1.26 -4.92 135.00 129.39 3gjs s PRO 155 Ca 0.18 2.38 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 3gjs s PRO 155 Cb -0.11 -3.38 0.06 0.00 0.04 0.00 0.00 34.50 31.11 3gjs s PRO 155 CO 0.09 -0.69 -0.01 0.15 0.04 0.00 0.00 177.00 176.58 3gjs s LYS 156 N 1.94 2.27 -0.18 4.56 1.02 -1.26 -1.85 119.74 126.23 3gjs s LYS 156 Ca 0.73 -1.38 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 3gjs s LYS 156 Cb -0.43 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 3gjs s LYS 156 CO 0.32 -0.67 0.06 -0.51 -0.92 0.00 0.00 175.35 173.64 3gjs s LEU 157 N 1.18 3.81 -0.22 3.17 1.43 0.35 -5.00 118.68 123.39 3gjs s LEU 157 Ca -0.04 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3gjs s LEU 157 Cb -0.20 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.09 3gjs s LEU 157 CO -0.03 0.17 -0.14 -0.36 0.23 0.00 0.00 176.35 176.22 3gjs s PHE 158 N 0.38 3.03 -0.32 0.29 0.40 -1.26 -1.06 117.98 119.44 3gjs s PHE 158 Ca 0.03 -1.91 -0.10 0.00 -0.60 0.00 0.00 56.93 54.35 3gjs s PHE 158 Cb -0.12 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.46 3gjs s PHE 158 CO 0.00 -0.82 0.16 0.42 0.70 0.00 0.00 175.22 175.68 3gjs s ILE 159 N 1.22 4.55 -0.34 0.64 1.01 0.03 -5.00 121.20 123.31 3gjs s ILE 159 Ca -0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 3gjs s ILE 159 Cb -0.16 -3.37 0.06 0.00 0.01 0.00 0.00 42.46 39.00 3gjs s ILE 159 CO -0.08 0.00 0.07 -0.63 0.00 0.00 0.00 174.94 174.31 3gjs s ILE 160 N 1.59 3.22 -0.58 2.92 1.09 -1.26 -0.63 121.20 127.55 3gjs s ILE 160 Ca 0.04 -1.52 -0.15 0.00 -1.10 0.00 0.00 60.65 57.92 3gjs s ILE 160 Cb -0.17 -2.94 0.14 0.00 -1.06 0.00 0.00 42.46 38.43 3gjs s ILE 160 CO 0.06 -0.28 0.52 -1.58 -0.10 0.00 0.00 174.94 173.57 3gjs s GLN 161 N 1.25 3.02 -0.21 2.79 2.00 0.13 -4.98 119.66 123.66 3gjs s GLN 161 Ca -0.01 -1.84 -0.30 0.00 -2.00 0.00 0.00 55.36 51.21 3gjs s GLN 161 Cb -0.20 -4.27 0.15 0.00 0.80 0.00 0.00 33.01 29.49 3gjs s GLN 161 CO -0.01 -1.31 1.14 0.00 -0.50 0.00 0.00 175.29 174.61 3gjs s ALA 162 N 1.33 -2.01 0.76 1.58 0.00 -1.26 -1.85 121.76 120.32 3gjs s ALA 162 Ca 0.06 1.69 -0.14 0.00 0.00 0.00 0.00 51.96 53.57 3gjs s ALA 162 Cb -0.26 -0.96 0.06 0.00 0.00 0.00 0.00 23.12 21.95 3gjs s ALA 162 CO 0.01 -0.30 1.18 0.00 0.00 0.00 0.00 175.76 176.64 3gjs n ARG 164 N -3.03 0.92 -0.40 0.00 1.74 -1.26 -2.41 116.66 112.22 3gjs n ARG 164 Ca 0.13 -2.51 0.00 0.00 -0.77 0.00 0.00 57.85 54.70 3gjs n ARG 164 Cb 0.51 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 3gjs n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gjs n GLY 165 N -0.65 0.78 0.47 -0.13 0.00 -1.26 -3.03 105.19 101.37 3gjs n GLY 165 Ca 0.13 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.39 3gjs n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gjs n THR 166 N 9.00 2.10 -2.74 2.61 -2.24 -1.26 -4.98 114.28 116.77 3gjs n THR 166 Ca 0.00 -2.21 -0.36 0.00 -2.27 0.00 0.00 64.05 59.21 3gjs n THR 166 Cb 0.00 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 3gjs n THR 166 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gjs s GLU 167 N -2.90 4.44 -0.06 -0.78 2.02 -1.26 -5.06 118.70 115.11 3gjs s GLU 167 Ca 0.37 1.33 0.05 0.00 0.02 0.00 0.00 54.97 56.73 3gjs s GLU 167 Cb 0.32 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 3gjs s GLU 167 CO 0.04 0.15 -0.19 -0.51 0.02 0.00 0.00 175.26 174.77 3gjs s LEU 168 N -2.36 2.41 -0.41 1.80 1.43 -1.26 -5.09 118.68 115.19 3gjs s LEU 168 Ca 0.54 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 3gjs s LEU 168 Cb -0.18 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3gjs s LEU 168 CO 0.23 0.29 0.49 -0.62 0.23 0.00 0.00 176.35 176.96 3gjs s ASP 169 N -0.39 6.24 0.18 2.29 -1.08 -1.26 -4.92 116.67 117.73 3gjs s ASP 169 Ca 0.04 -0.50 0.24 0.00 -0.52 0.00 0.00 52.55 51.80 3gjs s ASP 169 Cb -0.12 -2.25 0.90 0.00 -1.46 0.00 0.00 42.92 39.99 3gjs s ASP 169 CO 0.02 -0.61 1.72 0.00 0.52 0.00 0.00 175.17 176.82 3gjs n GLY 171 N 0.55 -2.24 2.85 0.00 0.00 -1.26 -4.97 105.19 100.12 3gjs n GLY 171 Ca 0.04 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 3gjs n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gjs s ILE 172 N -2.58 0.02 0.06 -0.61 1.10 -1.26 -5.13 121.20 112.81 3gjs s ILE 172 Ca 0.00 0.03 -0.31 0.00 -0.51 0.00 0.00 60.65 59.87 3gjs s ILE 172 Cb 0.00 -0.05 -0.07 0.00 0.15 0.00 0.00 42.46 42.48 3gjs s ILE 172 CO 0.00 0.03 1.49 -1.61 -2.11 0.00 0.00 174.94 172.74 3gjs s GLU 173 N 0.24 4.26 0.00 3.50 8.01 -1.26 -5.33 118.70 128.12 3gjs s GLU 173 Ca -0.02 2.13 0.23 0.00 0.01 0.00 0.00 54.97 57.32 3gjs s GLU 173 Cb -0.03 -3.47 1.37 0.00 -4.31 0.00 0.00 34.13 27.69 3gjs s GLU 173 CO -0.01 -0.59 1.74 0.25 0.01 0.00 0.00 175.26 176.66