#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjs s SER 36 N 0.00 1.14 0.44 1.20 1.04 -1.26 -5.13 113.70 111.13 3gjs s SER 36 Ca 0.00 -0.85 -0.26 0.00 0.48 0.00 0.00 55.95 55.33 3gjs s SER 36 Cb 0.00 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 66.09 3gjs s SER 36 CO 0.00 -0.35 1.45 -0.31 0.98 0.00 0.00 173.24 175.00 3gjs s TYR 37 N -2.78 2.44 -0.40 5.02 2.02 -1.26 -4.91 117.35 117.48 3gjs s TYR 37 Ca 0.05 1.23 -0.29 0.00 -0.37 0.00 0.00 57.07 57.70 3gjs s TYR 37 Cb -0.00 -3.96 0.00 0.00 -0.40 0.00 0.00 41.96 37.60 3gjs s TYR 37 CO -0.02 -3.03 1.51 0.21 -1.57 0.00 0.00 175.55 172.65 3gjs s LYS 38 N -2.42 3.50 -0.19 -0.62 2.20 -1.26 -4.84 119.74 116.10 3gjs s LYS 38 Ca 0.60 1.03 0.16 0.00 -0.36 0.00 0.00 55.97 57.40 3gjs s LYS 38 Cb -0.45 -4.07 0.50 0.00 -1.51 0.00 0.00 37.83 32.30 3gjs s LYS 38 CO 0.58 -1.66 1.40 -1.33 -0.36 0.00 0.00 175.35 173.97 3gjs n MET 39 N 8.20 2.55 -1.31 4.03 2.81 -1.26 -4.65 117.12 127.49 3gjs n MET 39 Ca 0.18 -2.86 -0.22 0.00 -1.81 0.00 0.00 57.70 52.99 3gjs n MET 39 Cb 0.48 -1.80 0.12 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.73 4.84 -4.67 7.83 5.75 -1.26 -4.92 116.55 123.39 3gjs n ASP 40 Ca 0.23 -3.76 -0.29 0.00 -0.01 0.00 0.00 54.79 50.96 3gjs n ASP 40 Cb 0.89 -0.71 0.13 0.00 -1.03 0.00 0.00 41.12 40.39 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 -3.52 2.45 0.34 2.11 1.51 -1.26 -4.95 117.35 114.04 3gjs s TYR 41 Ca 0.54 0.68 0.04 0.00 -1.01 0.00 0.00 57.07 57.32 3gjs s TYR 41 Cb 0.45 -3.60 0.66 0.00 -0.11 0.00 0.00 41.96 39.36 3gjs s TYR 41 CO 0.02 -2.20 1.95 -1.35 -1.11 0.00 0.00 175.55 172.86 3gjs h PRO 42 N -1.36 0.84 -6.22 -1.71 0.11 -1.93 -3.42 132.00 118.31 3gjs h PRO 42 Ca -0.47 -0.05 -0.62 0.00 0.11 0.00 0.00 66.00 64.97 3gjs h PRO 42 Cb 1.31 -0.19 -0.28 0.00 0.11 0.00 0.00 31.00 31.95 3gjs h PRO 42 CO 0.58 0.55 -0.86 -1.21 -0.21 0.00 0.00 178.00 176.85 3gjs s GLU 43 N -5.76 1.68 0.22 1.05 2.02 -0.20 -5.01 118.70 112.70 3gjs s GLU 43 Ca -0.10 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 53.98 3gjs s GLU 43 Cb 0.19 -1.70 0.19 0.00 0.10 0.00 0.00 34.13 32.92 3gjs s GLU 43 CO 0.78 0.45 1.62 0.52 0.02 0.00 0.00 175.26 178.65 3gjs h MET 44 N 5.31 0.71 0.00 1.61 2.86 -1.82 0.15 114.93 123.75 3gjs h MET 44 Ca -0.41 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 3gjs h MET 44 Cb 1.14 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3gjs h MET 44 CO 0.46 0.91 0.00 0.41 1.06 0.00 0.00 176.91 179.75 3gjs n GLY 45 N -0.17 0.89 3.85 8.32 0.00 -1.26 -0.94 105.19 115.88 3gjs n GLY 45 Ca -0.01 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 4.19 -0.31 0.99 1.43 -1.26 -0.86 118.68 122.86 3gjs s LEU 46 Ca 0.00 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3gjs s LEU 46 Cb 0.00 -3.76 0.10 0.00 0.03 0.00 0.00 46.19 42.56 3gjs s LEU 46 CO 0.00 -0.08 0.07 0.00 0.23 0.00 0.00 176.35 176.58 3gjs s ILE 48 N 1.40 5.08 -0.28 0.00 1.01 0.62 -1.23 121.20 127.79 3gjs s ILE 48 Ca 0.09 0.95 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 3gjs s ILE 48 Cb -0.18 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.49 3gjs s ILE 48 CO -0.19 0.13 -0.02 -0.63 0.00 0.00 0.00 174.94 174.23 3gjs s ILE 49 N 1.96 2.91 -0.35 2.92 -1.09 -0.08 0.13 121.20 127.59 3gjs s ILE 49 Ca 0.23 -1.31 -0.14 0.00 -2.23 0.00 0.00 60.65 57.20 3gjs s ILE 49 Cb -0.15 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 3gjs s ILE 49 CO 0.09 -0.03 0.30 -0.63 -1.23 0.00 0.00 174.94 173.45 3gjs s ILE 50 N 1.26 5.23 -0.45 2.92 1.09 0.01 -0.53 121.20 130.73 3gjs s ILE 50 Ca -0.04 -0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 3gjs s ILE 50 Cb -0.19 -3.80 0.12 0.00 -1.06 0.00 0.00 42.46 37.53 3gjs s ILE 50 CO -0.02 -0.10 0.21 0.21 -0.10 0.00 0.00 174.94 175.14 3gjs s ASN 51 N 1.73 4.97 -0.39 3.58 2.47 0.81 -1.25 114.94 126.86 3gjs s ASN 51 Ca 0.08 -2.38 -0.17 0.00 0.42 0.00 0.00 52.86 50.81 3gjs s ASN 51 Cb -0.17 -1.75 0.01 0.00 -1.45 0.00 0.00 41.25 37.89 3gjs s ASN 51 CO 0.11 -0.42 0.46 0.20 -3.72 0.00 0.00 177.10 173.74 3gjs s ASN 52 N 1.02 6.23 -0.14 -4.21 0.01 -0.69 -1.52 114.94 115.65 3gjs s ASN 52 Ca 0.12 -0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 51.88 3gjs s ASN 52 Cb -0.22 -2.24 -0.08 0.00 0.41 0.00 0.00 41.25 39.12 3gjs s ASN 52 CO -0.04 -0.53 -0.14 1.17 -1.51 0.00 0.00 177.10 176.05 3gjs n LYS 53 N 5.66 0.34 -3.80 -0.60 4.81 -1.26 -4.56 118.16 118.75 3gjs n LYS 53 Ca -0.06 0.09 -0.36 0.00 -0.87 0.00 0.00 58.31 57.11 3gjs n LYS 53 Cb 0.48 -1.22 -0.12 0.00 0.02 0.00 0.00 35.03 34.19 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 -5.57 5.32 0.07 3.14 0.01 -1.26 -2.01 114.94 114.63 3gjs s ASN 54 Ca -0.19 -0.13 0.05 0.00 -0.71 0.00 0.00 52.86 51.87 3gjs s ASN 54 Cb 0.06 -1.95 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 3gjs s ASN 54 CO 0.31 0.01 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.50 3gjs s PHE 55 N 1.38 2.91 0.49 2.20 0.40 -1.26 -4.78 117.98 119.32 3gjs s PHE 55 Ca 0.05 -0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.09 3gjs s PHE 55 Cb -0.15 -1.54 -0.07 0.00 0.51 0.00 0.00 43.02 41.78 3gjs s PHE 55 CO 0.04 0.44 1.37 -1.01 0.70 0.00 0.00 175.22 176.76 3gjs s HIS 56 N -1.20 2.44 0.24 0.36 3.76 -0.48 -4.89 115.29 115.52 3gjs s HIS 56 Ca 0.22 1.34 -0.04 0.00 -0.15 0.00 0.00 55.06 56.43 3gjs s HIS 56 Cb -0.11 -3.81 0.42 0.00 1.11 0.00 0.00 32.58 30.18 3gjs s HIS 56 CO 0.14 -2.76 1.79 -0.22 -0.85 0.00 0.00 174.74 172.84 3gjs h LYS 57 N 1.96 0.67 -1.09 1.40 3.11 -1.93 0.46 116.57 121.14 3gjs h LYS 57 Ca -0.51 -0.04 0.30 0.00 -2.81 0.00 0.00 60.65 57.59 3gjs h LYS 57 Cb 1.28 -0.15 -0.10 0.00 -1.00 0.00 0.00 32.23 32.26 3gjs h LYS 57 CO 0.59 0.44 0.71 0.66 -2.81 0.00 0.00 179.45 179.04 3gjs h SER 58 N 0.69 0.38 -0.24 4.20 4.64 -1.96 0.13 113.55 121.39 3gjs h SER 58 Ca 0.40 0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.72 3gjs h SER 58 Cb 0.45 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3gjs h SER 58 CO -0.29 0.04 -0.21 0.71 -0.87 0.00 0.00 176.83 176.21 3gjs h THR 59 N 0.32 1.32 0.00 2.95 1.35 -1.23 -3.48 112.91 114.14 3gjs h THR 59 Ca 0.63 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3gjs h THR 59 Cb 1.73 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 3gjs h THR 59 CO -0.30 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 3gjs n GLY 60 N 0.14 0.67 3.52 5.82 0.00 0.45 -5.07 105.19 110.72 3gjs n GLY 60 Ca -0.05 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3gjs n GLY 60 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3gjs s MET 61 N -1.58 2.39 0.86 1.61 0.23 -1.26 -5.12 119.30 116.42 3gjs s MET 61 Ca 0.00 -0.79 -0.11 0.00 -1.03 0.00 0.00 55.69 53.76 3gjs s MET 61 Cb 0.00 -2.37 0.11 0.00 -1.53 0.00 0.00 34.83 31.04 3gjs s MET 61 CO 0.00 0.59 1.10 0.95 -2.03 0.00 0.00 175.02 175.63 3gjs s THR 62 N -0.90 2.81 0.30 3.16 -4.23 -1.26 -4.63 115.64 110.90 3gjs s THR 62 Ca 0.15 0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 60.63 3gjs s THR 62 Cb -0.11 -2.63 -0.10 0.00 1.34 0.00 0.00 72.50 71.00 3gjs s THR 62 CO 0.05 -0.34 1.17 -0.55 -0.54 0.00 0.00 174.62 174.40 3gjs s SER 63 N -3.21 7.07 -1.25 3.99 0.15 -1.26 -4.77 113.70 114.42 3gjs s SER 63 Ca 0.63 2.41 -0.11 0.00 0.70 0.00 0.00 55.95 59.57 3gjs s SER 63 Cb -0.19 -2.63 0.17 0.00 -1.71 0.00 0.00 66.02 61.66 3gjs s SER 63 CO 0.57 -0.29 1.66 0.54 1.20 0.00 0.00 173.24 176.92 3gjs n ARG 64 N 1.00 3.50 -1.69 5.44 1.74 -0.85 -5.00 116.66 120.80 3gjs n ARG 64 Ca -0.00 -3.69 -0.44 0.00 -0.77 0.00 0.00 57.85 52.94 3gjs n ARG 64 Cb 0.44 -2.98 -0.03 0.00 -1.02 0.00 0.00 32.46 28.87 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 4.74 3.09 0.00 0.55 7.64 -1.26 -2.11 113.62 126.27 3gjs n SER 65 Ca 0.38 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.40 3gjs n SER 65 Cb 0.39 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 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 2.38 3.28 0.39 0.23 0.00 -1.26 -4.92 105.19 105.30 3gjs n GLY 66 Ca 0.12 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.34 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 0.72 -0.33 2.61 1.03 -1.84 0.62 112.91 115.72 3gjs h THR 67 Ca 0.00 -0.04 -0.05 0.00 -0.01 0.00 0.00 66.41 66.31 3gjs h THR 67 Cb 0.00 0.58 -0.02 0.00 -1.07 0.00 0.00 68.15 67.65 3gjs h THR 67 CO 0.00 0.02 0.01 0.44 -0.01 0.00 0.00 175.52 175.98 3gjs h ASP 68 N 0.13 0.47 -0.72 0.00 3.32 -1.91 -0.95 116.42 116.76 3gjs h ASP 68 Ca 0.32 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 3gjs h ASP 68 Cb 1.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 3gjs h ASP 68 CO -0.04 0.54 0.31 0.58 -1.72 0.00 0.00 179.24 178.91 3gjs h VAL 69 N 0.49 1.24 0.05 -1.35 2.07 -1.29 -1.62 116.25 115.84 3gjs h VAL 69 Ca 0.11 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3gjs h VAL 69 Cb 0.31 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3gjs h VAL 69 CO 0.01 0.30 -0.03 0.44 0.02 0.00 0.00 177.57 178.31 3gjs h ASP 70 N 1.02 -0.06 -0.85 0.57 3.32 -1.31 -1.46 116.42 117.65 3gjs h ASP 70 Ca 0.24 -0.22 0.13 0.00 0.02 0.00 0.00 57.03 57.20 3gjs h ASP 70 Cb 0.18 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.66 3gjs h ASP 70 CO -0.02 0.18 0.46 0.00 -1.72 0.00 0.00 179.24 178.13 3gjs h ALA 71 N 0.62 1.25 -0.28 3.45 0.00 -0.99 -0.04 119.26 123.28 3gjs h ALA 71 Ca -0.01 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 3gjs h ALA 71 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gjs h ALA 71 CO 0.01 -0.01 -0.52 0.00 0.00 0.00 0.00 179.25 178.73 3gjs h ALA 72 N 1.52 0.44 -0.52 0.00 0.00 -1.22 -1.78 119.26 117.70 3gjs h ALA 72 Ca 0.44 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gjs h ALA 72 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3gjs h ALA 72 CO -0.32 0.63 0.29 -0.97 0.00 0.00 0.00 179.25 178.89 3gjs h ASN 73 N 0.62 0.65 -0.19 0.00 -0.73 -0.57 -2.22 115.58 113.14 3gjs h ASN 73 Ca 0.01 -0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.08 3gjs h ASN 73 Cb 1.13 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.55 3gjs h ASN 73 CO 0.12 0.55 0.06 -0.07 -0.37 0.00 0.00 177.43 177.72 3gjs h LEU 74 N 0.69 0.28 -0.60 0.34 3.38 -0.99 -0.25 115.31 118.16 3gjs h LEU 74 Ca 0.18 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3gjs h LEU 74 Cb 0.04 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 3gjs h LEU 74 CO -0.03 0.41 0.23 -0.09 0.09 0.00 0.00 178.44 179.05 3gjs h ARG 75 N 0.14 0.40 -0.26 1.13 2.43 -1.15 -0.12 114.38 116.95 3gjs h ARG 75 Ca 0.06 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3gjs h ARG 75 Cb 0.23 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3gjs h ARG 75 CO -0.00 0.27 -0.29 1.49 -1.51 0.00 0.00 179.97 179.92 3gjs h GLU 76 N 0.42 0.66 0.06 0.20 4.57 -1.26 -1.93 114.58 117.30 3gjs h GLU 76 Ca 0.30 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3gjs h GLU 76 Cb 0.36 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3gjs h GLU 76 CO -0.29 0.97 -0.03 1.15 -1.18 0.00 0.00 179.01 179.63 3gjs h THR 77 N 0.38 0.95 0.00 0.32 2.02 -0.56 -1.89 112.91 114.13 3gjs h THR 77 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3gjs h THR 77 Cb 0.87 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3gjs h THR 77 CO 0.07 0.01 0.00 -0.26 0.37 0.00 0.00 175.52 175.71 3gjs h PHE 78 N -0.10 0.00 -0.30 3.16 0.04 -1.09 -2.51 116.94 116.14 3gjs h PHE 78 Ca -0.01 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.59 3gjs h PHE 78 Cb 0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 3gjs h PHE 78 CO -0.07 0.00 -0.48 -0.09 -0.60 0.00 0.00 178.31 177.07 3gjs h ARG 79 N 0.00 0.86 0.00 1.51 2.43 -0.97 -0.28 114.38 117.93 3gjs h ARG 79 Ca 0.00 -0.52 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 3gjs h ARG 79 Cb 0.59 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3gjs h ARG 79 CO 0.00 1.16 -0.09 -0.91 -1.51 0.00 0.00 179.97 178.62 3gjs h ASN 80 N 0.64 0.00 -0.09 -3.80 2.35 -0.92 -0.21 115.58 113.55 3gjs h ASN 80 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3gjs h ASN 80 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3gjs h ASN 80 CO 0.11 0.09 0.00 0.18 -1.65 0.00 0.00 177.43 176.16 3gjs n LEU 81 N -3.45 1.53 -0.67 1.61 4.77 -1.02 -4.93 117.00 114.84 3gjs n LEU 81 Ca -0.01 -0.58 -0.05 0.00 -0.03 0.00 0.00 56.01 55.34 3gjs n LEU 81 Cb 0.24 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3gjs n LEU 81 CO 0.28 0.29 -0.03 0.29 -1.33 0.00 0.00 177.39 176.89 3gjs n LYS 82 N 0.21 -0.70 -3.67 3.23 4.76 -0.09 -4.95 118.16 116.95 3gjs n LYS 82 Ca 0.18 0.20 -0.32 0.00 -2.87 0.00 0.00 58.31 55.50 3gjs n LYS 82 Cb 0.33 -3.75 -0.05 0.00 -1.84 0.00 0.00 35.03 29.72 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 -2.45 3.50 -0.79 2.13 1.51 -0.14 -4.10 117.35 117.01 3gjs s TYR 83 Ca 0.03 0.59 -0.23 0.00 -1.01 0.00 0.00 57.07 56.45 3gjs s TYR 83 Cb -0.01 -2.03 0.07 0.00 -0.11 0.00 0.00 41.96 39.87 3gjs s TYR 83 CO 0.04 0.46 1.17 -2.00 -1.11 0.00 0.00 175.55 174.12 3gjs s GLU 84 N -2.46 3.30 0.14 -0.62 2.12 -0.04 -4.48 118.70 116.66 3gjs s GLU 84 Ca 0.39 -0.87 -0.28 0.00 0.36 0.00 0.00 54.97 54.57 3gjs s GLU 84 Cb -0.12 -4.54 -0.07 0.00 0.26 0.00 0.00 34.13 29.66 3gjs s GLU 84 CO 0.23 -1.98 0.86 0.08 -0.54 0.00 0.00 175.26 173.91 3gjs s VAL 85 N 4.48 4.40 -0.09 3.70 1.01 -1.26 -1.25 120.40 131.40 3gjs s VAL 85 Ca 0.32 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 64.16 3gjs s VAL 85 Cb -0.09 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.09 3gjs s VAL 85 CO 0.05 0.43 -0.00 -0.13 0.00 0.00 0.00 175.10 175.45 3gjs s ARG 86 N -0.64 0.70 -0.21 2.72 0.52 -0.36 -4.94 118.95 116.74 3gjs s ARG 86 Ca 0.40 0.02 -0.09 0.00 -0.52 0.00 0.00 55.73 55.54 3gjs s ARG 86 Cb -0.23 -1.15 -0.05 0.00 0.52 0.00 0.00 34.95 34.04 3gjs s ARG 86 CO 0.28 -0.33 0.12 -0.80 0.02 0.00 0.00 175.30 174.58 3gjs s ASN 87 N 1.94 6.01 -0.10 0.23 -0.87 -1.26 -0.90 114.94 119.98 3gjs s ASN 87 Ca 0.04 0.15 0.03 0.00 -1.57 0.00 0.00 52.86 51.51 3gjs s ASN 87 Cb -0.13 -2.06 0.01 0.00 -0.02 0.00 0.00 41.25 39.05 3gjs s ASN 87 CO -0.06 0.14 -0.20 -0.54 -2.57 0.00 0.00 177.10 173.87 3gjs s LYS 88 N 0.61 2.68 0.04 -0.60 -0.14 0.31 -4.98 119.74 117.66 3gjs s LYS 88 Ca 0.07 -0.75 0.06 0.00 -1.36 0.00 0.00 55.97 53.99 3gjs s LYS 88 Cb -0.12 -2.09 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 3gjs s LYS 88 CO 0.01 0.10 -0.15 -0.80 -0.76 0.00 0.00 175.35 173.74 3gjs s ASN 89 N 0.54 4.00 -0.52 2.83 -0.87 -1.26 -0.13 114.94 119.53 3gjs s ASN 89 Ca -0.15 -0.37 -0.31 0.00 -1.57 0.00 0.00 52.86 50.47 3gjs s ASN 89 Cb -0.17 -0.72 0.05 0.00 -0.02 0.00 0.00 41.25 40.39 3gjs s ASN 89 CO 0.05 0.25 0.65 0.47 -2.57 0.00 0.00 177.10 175.96 3gjs n ASP 90 N 1.49 -5.53 -4.67 -1.22 8.00 -0.57 -4.94 116.55 109.10 3gjs n ASP 90 Ca -0.16 -0.27 -0.32 0.00 0.71 0.00 0.00 54.79 54.74 3gjs n ASP 90 Cb 0.52 -1.89 -0.09 0.00 -0.02 0.00 0.00 41.12 39.65 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 -2.95 3.45 0.83 0.64 1.43 -1.26 -4.92 118.68 115.91 3gjs s LEU 91 Ca 0.30 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 3gjs s LEU 91 Cb -0.03 -1.98 0.09 0.00 0.03 0.00 0.00 46.19 44.30 3gjs s LEU 91 CO 0.87 0.28 1.17 0.42 0.23 0.00 0.00 176.35 179.32 3gjs s THR 92 N -1.07 2.05 0.45 5.49 -4.23 -1.26 0.25 115.64 117.31 3gjs s THR 92 Ca 0.19 0.02 0.22 0.00 -1.18 0.00 0.00 61.69 60.93 3gjs s THR 92 Cb -0.11 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 71.02 3gjs s THR 92 CO 0.10 -0.02 2.05 0.08 -0.54 0.00 0.00 174.62 176.29 3gjs h ARG 93 N -1.15 0.00 -0.15 3.99 0.11 -1.85 -1.56 114.38 113.76 3gjs h ARG 93 Ca -0.47 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.55 3gjs h ARG 93 Cb 1.33 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.41 3gjs h ARG 93 CO 0.65 0.14 -0.13 0.93 0.10 0.00 0.00 179.97 181.66 3gjs h GLU 94 N 0.00 0.36 -0.75 0.08 3.07 -1.96 -2.55 114.58 112.84 3gjs h GLU 94 Ca -0.00 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.36 58.65 3gjs h GLU 94 Cb 0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 3gjs h GLU 94 CO 0.02 0.72 0.36 0.93 -1.40 0.00 0.00 179.01 179.64 3gjs h GLU 95 N 0.00 1.07 0.20 2.33 5.08 -1.77 -1.28 114.58 120.20 3gjs h GLU 95 Ca 0.03 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3gjs h GLU 95 Cb 0.65 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3gjs h GLU 95 CO 0.03 0.82 -0.10 0.82 -1.00 0.00 0.00 179.01 179.59 3gjs h ILE 96 N 1.06 0.85 -0.71 3.13 2.04 -1.28 0.15 117.51 122.74 3gjs h ILE 96 Ca 0.26 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3gjs h ILE 96 Cb 0.11 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3gjs h ILE 96 CO -0.03 0.05 0.44 0.58 0.00 0.00 0.00 178.15 179.18 3gjs h VAL 97 N -0.38 1.06 -0.10 1.67 2.07 -1.25 -1.25 116.25 118.09 3gjs h VAL 97 Ca -0.03 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 3gjs h VAL 97 Cb 0.29 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3gjs h VAL 97 CO 0.05 0.15 -0.51 -0.33 0.02 0.00 0.00 177.57 176.95 3gjs h GLU 98 N 0.84 0.26 -0.18 1.57 4.39 -1.11 -1.83 114.58 118.51 3gjs h GLU 98 Ca 0.30 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3gjs h GLU 98 Cb 0.07 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3gjs h GLU 98 CO -0.13 0.71 0.06 1.25 -1.16 0.00 0.00 179.01 179.75 3gjs h LEU 99 N 0.21 0.26 -0.66 1.33 5.85 -0.10 -1.62 115.31 120.59 3gjs h LEU 99 Ca 0.01 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3gjs h LEU 99 Cb 0.97 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 3gjs h LEU 99 CO 0.08 0.38 0.30 0.24 -0.34 0.00 0.00 178.44 179.10 3gjs h MET 100 N 0.13 0.96 -0.46 1.25 2.86 -1.15 -1.11 114.93 117.40 3gjs h MET 100 Ca 0.06 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3gjs h MET 100 Cb 0.21 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3gjs h MET 100 CO -0.00 0.78 0.25 -0.09 1.06 0.00 0.00 176.91 178.90 3gjs h ARG 101 N 0.91 0.65 -0.43 1.72 2.43 -1.21 -0.43 114.38 118.03 3gjs h ARG 101 Ca 0.22 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3gjs h ARG 101 Cb 0.15 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3gjs h ARG 101 CO -0.03 0.51 0.17 -0.44 -1.51 0.00 0.00 179.97 178.67 3gjs h ASP 102 N 0.61 0.60 -0.45 -3.80 5.19 -1.09 -2.60 116.42 114.88 3gjs h ASP 102 Ca 0.16 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3gjs h ASP 102 Cb 0.06 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 3gjs h ASP 102 CO -0.03 0.61 0.16 0.58 -3.12 0.00 0.00 179.24 177.44 3gjs h VAL 103 N 0.55 1.21 0.00 -1.35 2.07 -1.02 -2.37 116.25 115.33 3gjs h VAL 103 Ca 0.14 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3gjs h VAL 103 Cb 0.20 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3gjs h VAL 103 CO -0.01 0.25 0.00 -1.54 0.02 0.00 0.00 177.57 176.29 3gjs n SER 104 N -4.57 0.24 -0.93 0.57 3.41 -0.18 -1.76 113.62 110.40 3gjs n SER 104 Ca 0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3gjs n SER 104 Cb 0.17 -0.62 0.18 0.00 -0.26 0.00 0.00 64.21 63.68 3gjs n SER 104 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gjs n LYS 105 N -1.78 2.27 -1.53 4.33 5.02 -0.90 -4.75 118.16 120.81 3gjs n LYS 105 Ca 0.02 -1.86 -0.29 0.00 -2.02 0.00 0.00 58.31 54.16 3gjs n LYS 105 Cb 0.15 -1.47 0.13 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.90 1.35 -0.54 1.97 2.02 -0.72 -4.98 118.70 115.89 3gjs s GLU 106 Ca 0.31 0.37 -0.19 0.00 0.02 0.00 0.00 54.97 55.48 3gjs s GLU 106 Cb 0.21 -1.86 0.07 0.00 0.10 0.00 0.00 34.13 32.65 3gjs s GLU 106 CO 0.31 -2.07 0.68 0.34 0.02 0.00 0.00 175.26 174.53 3gjs s ASP 107 N -3.99 6.21 0.00 -0.19 2.15 -1.26 -4.88 116.67 114.71 3gjs s ASP 107 Ca 0.63 -1.04 0.20 0.00 0.43 0.00 0.00 52.55 52.77 3gjs s ASP 107 Cb -0.15 -2.31 0.57 0.00 -0.30 0.00 0.00 42.92 40.73 3gjs s ASP 107 CO 0.54 -1.00 1.45 1.41 -0.17 0.00 0.00 175.17 177.40 3gjs n HIS 108 N 6.35 0.40 -0.35 -5.34 8.25 -1.26 -4.60 115.22 118.67 3gjs n HIS 108 Ca -0.07 -0.20 0.11 0.00 -0.26 0.00 0.00 57.72 57.30 3gjs n HIS 108 Cb 0.45 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.79 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 3.02 -0.66 -0.37 0.41 0.02 -1.90 0.37 113.55 114.44 3gjs h SER 109 Ca 0.00 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3gjs h SER 109 Cb 0.67 0.54 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3gjs h SER 109 CO 0.00 -0.35 0.00 2.29 -1.14 0.00 0.00 176.83 177.63 3gjs n LYS 110 N -5.54 2.88 -4.56 3.45 0.00 -1.26 -4.87 118.16 108.26 3gjs n LYS 110 Ca 0.20 -1.76 -0.34 0.00 -0.00 0.00 0.00 58.31 56.42 3gjs n LYS 110 Cb 0.66 -1.75 -0.12 0.00 -0.00 0.00 0.00 35.03 33.82 3gjs n LYS 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3gjs s ARG 111 N -1.84 3.13 0.29 -1.58 0.52 0.13 -1.04 118.95 118.57 3gjs s ARG 111 Ca 0.31 -0.55 0.14 0.00 -0.52 0.00 0.00 55.73 55.11 3gjs s ARG 111 Cb 0.21 -2.71 0.35 0.00 0.52 0.00 0.00 34.95 33.33 3gjs s ARG 111 CO 0.13 0.48 1.58 0.77 0.02 0.00 0.00 175.30 178.28 3gjs h SER 112 N 5.88 0.00 -0.80 0.23 0.02 -0.53 -3.47 113.55 114.88 3gjs h SER 112 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3gjs h SER 112 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3gjs h SER 112 CO 0.56 0.57 0.00 -1.54 -1.14 0.00 0.00 176.83 175.28 3gjs n SER 113 N -3.54 0.00 -3.72 3.07 3.41 -0.12 -4.25 113.62 108.47 3gjs n SER 113 Ca -0.00 -0.81 -0.12 0.00 -0.26 0.00 0.00 58.87 57.68 3gjs n SER 113 Cb 0.64 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 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 -7.77 -0.48 -0.05 7.33 5.36 -0.90 -4.01 117.98 117.46 3gjs s PHE 114 Ca 0.00 1.10 0.02 0.00 -0.96 0.00 0.00 56.93 57.09 3gjs s PHE 114 Cb 0.00 0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.87 3gjs s PHE 114 CO 0.00 -0.26 -0.10 0.08 -1.46 0.00 0.00 175.22 173.48 3gjs s VAL 115 N 0.79 0.95 -0.07 3.12 1.01 -0.04 -0.33 120.40 125.83 3gjs s VAL 115 Ca -0.05 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3gjs s VAL 115 Cb -0.06 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.47 3gjs s VAL 115 CO -0.06 0.31 -0.08 0.00 0.00 0.00 0.00 175.10 175.27 3gjs s VAL 117 N 1.13 2.85 -0.23 0.00 1.01 0.12 -0.95 120.40 124.33 3gjs s VAL 117 Ca -0.07 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3gjs s VAL 117 Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3gjs s VAL 117 CO -0.01 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 174.86 3gjs s LEU 118 N 1.14 3.43 -0.28 3.92 1.02 0.03 -0.81 118.68 127.13 3gjs s LEU 118 Ca 0.01 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.02 3gjs s LEU 118 Cb -0.14 -1.90 0.07 0.00 0.02 0.00 0.00 46.19 44.24 3gjs s LEU 118 CO -0.04 0.02 -0.07 -0.76 0.02 0.00 0.00 176.35 175.53 3gjs s LEU 119 N 1.27 3.70 0.00 1.79 1.43 -0.38 -0.63 118.68 125.86 3gjs s LEU 119 Ca 0.04 -1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 51.46 3gjs s LEU 119 Cb -0.15 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.57 3gjs s LEU 119 CO 0.03 -0.24 0.50 -0.24 0.23 0.00 0.00 176.35 176.63 3gjs n SER 120 N 4.41 -0.63 -4.90 2.29 2.88 -0.71 -1.70 113.62 115.25 3gjs n SER 120 Ca -0.09 -1.25 -0.28 0.00 -1.33 0.00 0.00 58.87 55.92 3gjs n SER 120 Cb 0.42 1.01 0.06 0.00 -0.75 0.00 0.00 64.21 64.95 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 -3.44 3.15 0.14 0.66 2.46 -1.26 -3.85 115.29 113.16 3gjs s HIS 121 Ca 0.12 0.78 -0.23 0.00 0.47 0.00 0.00 55.06 56.19 3gjs s HIS 121 Cb -0.01 -3.12 0.08 0.00 -0.13 0.00 0.00 32.58 29.41 3gjs s HIS 121 CO 0.01 -1.28 1.10 0.20 -2.47 0.00 0.00 174.74 172.30 3gjs s GLY 122 N -4.43 0.09 0.25 1.59 0.00 -1.26 -1.63 107.32 101.94 3gjs s GLY 122 Ca 0.58 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 45.01 3gjs s GLY 122 CO 0.48 3.51 0.21 -0.54 0.00 0.00 0.00 173.10 176.76 3gjs s GLU 123 N -2.05 1.42 0.01 2.90 2.02 -0.55 -4.28 118.70 118.18 3gjs s GLU 123 Ca 0.25 -1.75 -0.34 0.00 0.02 0.00 0.00 54.97 53.15 3gjs s GLU 123 Cb -0.02 0.30 -0.13 0.00 0.10 0.00 0.00 34.13 34.38 3gjs s GLU 123 CO 0.04 -0.50 1.72 -1.91 0.02 0.00 0.00 175.26 174.63 3gjs n GLU 124 N -0.40 2.07 -0.98 1.61 4.07 -1.20 -0.15 120.64 125.66 3gjs n GLU 124 Ca 0.04 0.75 0.00 0.00 -0.06 0.00 0.00 57.16 57.89 3gjs n GLU 124 Cb 0.64 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 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 3.90 0.24 3.05 8.31 0.00 -1.26 -4.98 105.19 114.44 3gjs n GLY 125 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.52 0.76 0.16 -0.61 1.01 0.79 -1.52 121.20 120.28 3gjs s ILE 126 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.19 3gjs s ILE 126 Cb 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 3gjs s ILE 126 CO 0.00 0.10 -0.25 -0.51 0.00 0.00 0.00 174.94 174.28 3gjs s ILE 127 N -0.46 2.26 -0.20 2.92 -1.16 -0.73 -1.49 121.20 122.35 3gjs s ILE 127 Ca 0.02 -1.89 -0.07 0.00 -0.51 0.00 0.00 60.65 58.20 3gjs s ILE 127 Cb -0.05 -2.03 -0.03 0.00 0.61 0.00 0.00 42.46 40.95 3gjs s ILE 127 CO 0.00 -0.04 0.04 -0.36 -2.81 0.00 0.00 174.94 171.77 3gjs s PHE 128 N -1.41 3.14 0.90 3.50 0.08 -0.64 -0.33 117.98 123.21 3gjs s PHE 128 Ca 0.17 -0.18 -0.14 0.00 0.12 0.00 0.00 56.93 56.90 3gjs s PHE 128 Cb -0.09 -2.11 0.16 0.00 -0.57 0.00 0.00 43.02 40.42 3gjs s PHE 128 CO 0.08 -0.07 1.26 0.20 -0.10 0.00 0.00 175.22 176.60 3gjs s GLY 129 N 0.80 1.73 0.39 4.36 0.00 0.15 -4.64 107.32 110.10 3gjs s GLY 129 Ca 0.02 -1.07 0.27 0.00 0.00 0.00 0.00 44.72 43.95 3gjs s GLY 129 CO 0.02 -0.39 1.83 -0.91 0.00 0.00 0.00 173.10 173.65 3gjs h THR 130 N -1.42 0.00 0.00 0.90 1.35 -0.46 -3.00 112.91 110.28 3gjs h THR 130 Ca -0.45 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3gjs h THR 130 Cb 1.26 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3gjs h THR 130 CO 0.46 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.27 3gjs n ASN 131 N -2.48 1.43 0.00 5.36 6.94 -1.26 -1.38 115.26 123.86 3gjs n ASN 131 Ca -0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 3gjs n ASN 131 Cb 0.13 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 -0.26 2.04 3.78 4.83 0.00 -1.14 -4.84 105.19 109.60 3gjs n GLY 132 Ca 0.00 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 3.36 -0.04 1.61 0.04 -1.26 0.30 135.00 137.02 3gjs s PRO 133 Ca 0.00 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 3gjs s PRO 133 Cb 0.00 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.56 3gjs s PRO 133 CO 0.00 -0.83 0.02 0.08 0.04 0.00 0.00 177.00 176.32 3gjs s VAL 134 N -1.85 0.06 0.16 -0.36 1.01 0.55 -4.82 120.40 115.15 3gjs s VAL 134 Ca 0.71 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 3gjs s VAL 134 Cb -0.23 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 35.83 3gjs s VAL 134 CO 0.27 0.16 1.53 -1.81 0.00 0.00 0.00 175.10 175.25 3gjs s ASP 135 N 1.47 6.63 0.36 3.32 1.01 -1.26 -1.77 116.67 126.43 3gjs s ASP 135 Ca -0.04 2.58 0.04 0.00 0.71 0.00 0.00 52.55 55.84 3gjs s ASP 135 Cb -0.13 -2.59 0.69 0.00 1.01 0.00 0.00 42.92 41.90 3gjs s ASP 135 CO -0.03 -0.79 1.99 -0.07 0.21 0.00 0.00 175.17 176.48 3gjs h LEU 136 N 6.69 0.69 -1.58 1.23 3.38 -1.63 -2.10 115.31 121.99 3gjs h LEU 136 Ca -0.43 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3gjs h LEU 136 Cb 1.21 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3gjs h LEU 136 CO 0.90 0.48 0.36 0.50 0.09 0.00 0.00 178.44 180.77 3gjs h LYS 137 N 0.80 0.50 -0.08 1.13 1.63 -1.90 -0.99 116.57 117.66 3gjs h LYS 137 Ca 0.26 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.92 3gjs h LYS 137 Cb 0.04 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3gjs h LYS 137 CO -0.07 0.33 -0.44 -0.22 -3.45 0.00 0.00 179.45 175.60 3gjs h LYS 138 N 0.52 0.20 -0.03 1.90 3.64 -1.76 -0.90 116.57 120.13 3gjs h LYS 138 Ca 0.23 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 3gjs h LYS 138 Cb 0.27 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3gjs h LYS 138 CO -0.06 0.60 -0.36 0.82 -2.27 0.00 0.00 179.45 178.18 3gjs h ILE 139 N 0.16 1.47 0.00 2.00 2.04 -1.23 -3.34 117.51 118.61 3gjs h ILE 139 Ca 0.01 -1.88 -0.15 0.00 1.00 0.00 0.00 64.86 63.85 3gjs h ILE 139 Cb 0.85 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 3gjs h ILE 139 CO 0.07 0.53 -0.69 0.71 0.00 0.00 0.00 178.15 178.77 3gjs h THR 140 N -0.26 1.44 -0.22 -0.27 1.35 -1.25 -3.23 112.91 110.47 3gjs h THR 140 Ca -0.04 -2.42 0.06 0.00 -0.55 0.00 0.00 66.41 63.47 3gjs h THR 140 Cb 1.06 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 69.80 3gjs h THR 140 CO 0.07 0.68 0.23 0.78 -0.25 0.00 0.00 175.52 177.03 3gjs h ASN 141 N 0.00 0.00 0.19 5.36 2.35 -1.27 -0.46 115.58 121.75 3gjs h ASN 141 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3gjs h ASN 141 Cb 1.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 3gjs h ASN 141 CO 0.09 0.00 -0.02 -0.26 -1.65 0.00 0.00 177.43 175.59 3gjs h PHE 142 N 0.00 0.00 -0.44 1.19 0.04 -1.71 -2.35 116.94 113.66 3gjs h PHE 142 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3gjs h PHE 142 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 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 -3.30 0.68 -1.40 -0.55 3.72 -0.18 -4.20 117.46 112.22 3gjs n PHE 143 Ca -0.02 -0.53 -0.37 0.00 -0.05 0.00 0.00 57.45 56.48 3gjs n PHE 143 Cb 0.13 -0.06 0.07 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.72 0.53 0.14 -1.08 1.74 -0.89 -4.61 116.66 113.21 3gjs n ARG 144 Ca 0.16 0.22 0.19 0.00 -0.77 0.00 0.00 57.85 57.65 3gjs n ARG 144 Cb 0.53 -2.03 0.72 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.08 0.00 0.00 -0.13 0.00 -1.92 -1.26 103.07 99.69 3gjs h GLY 145 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3gjs h GLY 145 CO 0.46 0.00 -1.44 2.09 0.00 0.00 0.00 176.54 177.65 3gjs n ASP 146 N -3.42 0.59 -0.00 0.19 5.75 -1.26 -4.30 116.55 114.10 3gjs n ASP 146 Ca 0.06 -0.51 0.10 0.00 -0.01 0.00 0.00 54.79 54.43 3gjs n ASP 146 Cb 0.64 1.46 -0.13 0.00 -1.03 0.00 0.00 41.12 42.06 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 -1.84 0.11 -3.29 0.11 1.74 -0.52 -4.62 116.66 108.34 3gjs n ARG 147 Ca 0.00 -0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.81 3gjs n ARG 147 Cb 0.43 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.28 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 5.45 0.26 0.00 0.00 2.47 -1.82 -2.21 114.38 118.53 3gjs h ARG 149 Ca 0.23 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 3gjs h ARG 149 Cb 0.94 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3gjs h ARG 149 CO 0.33 0.18 0.00 -1.13 0.56 0.00 0.00 179.97 179.90 3gjs n SER 150 N -4.50 0.00 0.00 7.04 3.41 -1.26 -1.67 113.62 116.63 3gjs n SER 150 Ca -0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3gjs n SER 150 Cb 0.08 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.14 0.95 -4.70 1.04 4.77 -0.84 -4.03 117.00 113.05 3gjs n LEU 151 Ca 0.09 -0.95 -0.43 0.00 -0.03 0.00 0.00 56.01 54.68 3gjs n LEU 151 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3gjs n LEU 151 CO 0.09 0.24 1.38 0.41 -1.33 0.00 0.00 177.39 178.18 3gjs n THR 152 N -0.01 0.13 -0.80 -5.08 -1.04 -0.67 -1.10 114.28 105.71 3gjs n THR 152 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3gjs n THR 152 Cb 0.02 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 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 3.98 0.87 3.59 3.41 0.00 -1.26 -5.03 105.19 110.75 3gjs n GLY 153 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.20 2.43 0.15 1.61 1.02 -0.26 -4.96 119.74 119.53 3gjs s LYS 154 Ca 0.00 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 54.86 3gjs s LYS 154 Cb 0.00 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.77 3gjs s LYS 154 CO 0.00 0.57 1.55 -1.25 -0.92 0.00 0.00 175.35 175.30 3gjs s PRO 155 N -1.68 4.23 -0.30 -1.68 0.04 -1.26 -4.92 135.00 129.42 3gjs s PRO 155 Ca 0.19 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.54 3gjs s PRO 155 Cb -0.11 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.27 3gjs s PRO 155 CO 0.10 -0.60 -0.01 0.15 0.04 0.00 0.00 177.00 176.69 3gjs s LYS 156 N 1.32 2.24 -0.21 4.56 1.02 -1.26 -2.11 119.74 125.30 3gjs s LYS 156 Ca 0.70 -1.40 -0.08 0.00 0.02 0.00 0.00 55.97 55.20 3gjs s LYS 156 Cb -0.42 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 3gjs s LYS 156 CO 0.31 -0.68 0.09 -0.51 -0.92 0.00 0.00 175.35 173.64 3gjs s LEU 157 N 1.17 3.88 -0.24 3.17 1.43 0.56 -5.01 118.68 123.63 3gjs s LEU 157 Ca -0.03 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3gjs s LEU 157 Cb -0.20 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.07 3gjs s LEU 157 CO -0.03 0.12 -0.13 -0.36 0.23 0.00 0.00 176.35 176.18 3gjs s PHE 158 N 0.69 3.17 -0.29 0.29 0.40 -1.26 -0.32 117.98 120.66 3gjs s PHE 158 Ca 0.05 -2.20 -0.11 0.00 -0.60 0.00 0.00 56.93 54.08 3gjs s PHE 158 Cb -0.13 -1.93 -0.03 0.00 0.51 0.00 0.00 43.02 41.44 3gjs s PHE 158 CO 0.02 -0.87 0.18 0.42 0.70 0.00 0.00 175.22 175.67 3gjs s ILE 159 N 1.14 5.05 -0.25 0.64 1.09 -0.12 -5.00 121.20 123.74 3gjs s ILE 159 Ca -0.06 -0.04 0.01 0.00 -1.10 0.00 0.00 60.65 59.46 3gjs s ILE 159 Cb -0.19 -3.46 0.05 0.00 -1.06 0.00 0.00 42.46 37.80 3gjs s ILE 159 CO -0.07 0.19 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.23 3gjs s ILE 160 N 1.71 2.38 -0.64 2.92 1.01 -1.26 -0.79 121.20 126.53 3gjs s ILE 160 Ca 0.06 -1.40 -0.08 0.00 0.00 0.00 0.00 60.65 59.24 3gjs s ILE 160 Cb -0.16 -2.31 0.17 0.00 0.01 0.00 0.00 42.46 40.17 3gjs s ILE 160 CO 0.09 0.08 0.51 -1.58 0.00 0.00 0.00 174.94 174.05 3gjs s GLN 161 N 1.19 2.85 -0.08 2.79 2.00 0.20 -5.00 119.66 123.61 3gjs s GLN 161 Ca -0.05 -2.29 -0.30 0.00 -2.00 0.00 0.00 55.36 50.72 3gjs s GLN 161 Cb -0.18 -4.00 0.11 0.00 0.80 0.00 0.00 33.01 29.74 3gjs s GLN 161 CO -0.06 -1.22 0.91 0.00 -0.50 0.00 0.00 175.29 174.43 3gjs s ALA 162 N 0.41 -1.87 0.80 1.58 0.00 -1.25 -1.74 121.76 119.70 3gjs s ALA 162 Ca 0.14 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 3gjs s ALA 162 Cb -0.19 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.87 3gjs s ALA 162 CO -0.04 -0.48 1.12 0.00 0.00 0.00 0.00 175.76 176.36 3gjs n ARG 164 N -3.59 0.91 -0.09 0.00 1.74 -1.26 -2.63 116.66 111.74 3gjs n ARG 164 Ca 0.10 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.46 3gjs n ARG 164 Cb 0.52 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 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 -0.45 0.95 0.07 -0.13 0.00 -1.26 -3.24 105.19 101.13 3gjs n GLY 165 Ca 0.13 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.36 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 1.71 -2.73 2.61 -2.24 -1.26 -4.97 114.28 116.40 3gjs n THR 166 Ca 0.00 -2.03 -0.35 0.00 -2.27 0.00 0.00 64.05 59.40 3gjs n THR 166 Cb 0.00 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.54 4.25 -0.03 -0.78 2.02 -1.26 -5.06 118.70 115.31 3gjs s GLU 167 Ca 0.27 1.27 0.06 0.00 0.02 0.00 0.00 54.97 56.59 3gjs s GLU 167 Cb 0.23 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 3gjs s GLU 167 CO 0.03 -0.02 -0.22 -0.51 0.02 0.00 0.00 175.26 174.55 3gjs s LEU 168 N -2.84 2.29 -0.42 1.80 1.43 -1.26 -5.09 118.68 114.59 3gjs s LEU 168 Ca 0.59 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 3gjs s LEU 168 Cb -0.15 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.68 3gjs s LEU 168 CO 0.19 0.33 0.42 -0.62 0.23 0.00 0.00 176.35 176.90 3gjs s ASP 169 N -0.63 6.18 0.54 2.29 -1.08 -1.26 -4.94 116.67 117.78 3gjs s ASP 169 Ca 0.10 -0.74 0.32 0.00 -0.52 0.00 0.00 52.55 51.71 3gjs s ASP 169 Cb -0.10 -2.22 1.42 0.00 -1.46 0.00 0.00 42.92 40.56 3gjs s ASP 169 CO -0.00 -0.57 2.02 0.00 0.52 0.00 0.00 175.17 177.13 3gjs n GLY 171 N -0.20 -1.89 3.10 0.00 0.00 -1.26 -5.01 105.19 99.94 3gjs n GLY 171 Ca -0.00 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.01 0.01 0.17 -0.61 1.10 -1.26 -5.15 121.20 113.44 3gjs s ILE 172 Ca 0.00 -0.05 -0.30 0.00 -0.51 0.00 0.00 60.65 59.79 3gjs s ILE 172 Cb 0.00 -0.32 -0.07 0.00 0.15 0.00 0.00 42.46 42.22 3gjs s ILE 172 CO 0.00 -0.03 1.12 -1.83 -2.11 0.00 0.00 174.94 172.09 3gjs s GLU 173 N -0.01 4.57 0.00 3.50 1.03 -1.26 -5.33 118.70 121.19 3gjs s GLU 173 Ca -0.01 1.73 0.19 0.00 0.03 0.00 0.00 54.97 56.91 3gjs s GLU 173 Cb -0.02 -3.28 0.15 0.00 -0.80 0.00 0.00 34.13 30.18 3gjs s GLU 173 CO 0.00 0.03 1.10 0.25 -1.33 0.00 0.00 175.26 175.31