#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjx h GLU 2 N 0.00 0.90 -0.08 1.45 5.08 -2.03 -2.49 114.58 117.41 1jjx h GLU 2 Ca 0.00 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1jjx h GLU 2 Cb 0.00 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1jjx h GLU 2 CO 0.00 0.69 0.08 0.00 -1.00 0.00 0.00 179.01 178.78 1jjx h ALA 3 N 1.45 1.72 0.00 3.43 0.00 -2.03 -2.15 119.26 121.68 1jjx h ALA 3 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1jjx h ALA 3 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jjx h ALA 3 CO -0.03 -0.13 -0.10 0.74 0.00 0.00 0.00 179.25 179.73 1jjx h PHE 4 N 0.00 0.00 -1.02 0.00 0.04 -1.87 -3.46 116.94 110.63 1jjx h PHE 4 Ca 0.04 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.29 1jjx h PHE 4 Cb 0.21 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.27 1jjx h PHE 4 CO 0.00 0.00 1.30 0.00 -0.60 0.00 0.00 178.31 179.01 1jjx s ALA 6 N 6.29 -1.56 -0.05 0.00 0.00 -0.82 -4.99 121.76 120.63 1jjx s ALA 6 Ca 0.52 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 1jjx s ALA 6 Cb -0.02 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1jjx s ALA 6 CO -0.07 -1.05 0.74 0.99 0.00 0.00 0.00 175.76 176.37 1jjx s THR 7 N -3.00 5.00 -0.18 0.00 2.01 -1.25 -1.56 115.64 116.66 1jjx s THR 7 Ca 0.15 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.70 1jjx s THR 7 Cb -0.02 -4.09 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1jjx s THR 7 CO 0.04 0.25 -0.11 0.26 -0.69 0.00 0.00 174.62 174.36 1jjx s TRP 8 N 0.75 2.33 -0.21 4.92 0.52 -0.40 -0.54 118.94 126.30 1jjx s TRP 8 Ca 0.40 -1.47 -0.09 0.00 0.02 0.00 0.00 56.10 54.96 1jjx s TRP 8 Cb -0.18 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1jjx s TRP 8 CO 0.20 -0.72 0.11 0.15 0.02 0.00 0.00 176.95 176.71 1jjx s LYS 9 N 1.43 4.02 -0.11 4.98 1.02 -0.14 -0.74 119.74 130.19 1jjx s LYS 9 Ca 0.01 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1jjx s LYS 9 Cb -0.15 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1jjx s LYS 9 CO -0.09 0.16 1.48 -1.17 -0.92 0.00 0.00 175.35 174.81 1jjx s LEU 10 N 0.73 4.24 -0.21 3.17 0.20 -1.23 -1.69 118.68 123.90 1jjx s LEU 10 Ca 0.06 1.97 -0.16 0.00 0.69 0.00 0.00 54.13 56.69 1jjx s LEU 10 Cb -0.13 -3.54 -0.19 0.00 -0.43 0.00 0.00 46.19 41.91 1jjx s LEU 10 CO 0.02 -0.87 0.12 0.35 -0.29 0.00 0.00 176.35 175.68 1jjx n THR 11 N 5.47 1.58 -3.61 3.68 -2.24 0.58 -4.95 114.28 114.79 1jjx n THR 11 Ca 0.16 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1jjx n THR 11 Cb 0.44 -1.92 -0.17 0.00 -2.10 0.00 0.00 70.33 66.58 1jjx n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jjx s ASN 12 N -6.99 2.21 -1.17 3.42 2.47 -1.21 -4.99 114.94 108.68 1jjx s ASN 12 Ca -0.30 -0.54 -0.12 0.00 0.42 0.00 0.00 52.86 52.32 1jjx s ASN 12 Cb 0.08 -0.21 0.22 0.00 -1.45 0.00 0.00 41.25 39.88 1jjx s ASN 12 CO 0.61 -0.34 1.30 -0.94 -3.72 0.00 0.00 177.10 174.01 1jjx s SER 13 N 2.15 7.18 -0.50 -4.21 1.04 -1.26 -1.34 113.70 116.76 1jjx s SER 13 Ca 0.02 -3.25 -0.25 0.00 0.48 0.00 0.00 55.95 52.96 1jjx s SER 13 Cb -0.16 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.68 1jjx s SER 13 CO -0.09 -0.55 0.92 -1.58 0.98 0.00 0.00 173.24 172.92 1jjx s GLN 14 N 0.38 3.44 -1.00 4.02 0.74 -0.14 -3.04 119.66 124.06 1jjx s GLN 14 Ca 0.38 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.77 1jjx s GLN 14 Cb -0.06 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 30.08 1jjx s GLN 14 CO -0.03 -1.32 0.00 -1.71 -0.55 0.00 0.00 175.29 171.68 1jjx n ASN 15 N 7.26 -3.75 -0.03 6.67 5.15 -1.26 -1.02 115.26 128.28 1jjx n ASN 15 Ca 0.04 0.03 -0.17 0.00 -0.60 0.00 0.00 54.58 53.88 1jjx n ASN 15 Cb 0.48 -2.89 -0.07 0.00 -0.53 0.00 0.00 39.78 36.77 1jjx n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1jjx h PHE 16 N 0.00 0.98 -0.39 1.20 3.57 -1.87 -3.11 116.94 117.33 1jjx h PHE 16 Ca -0.26 -0.42 0.08 0.00 3.53 0.00 0.00 57.97 60.90 1jjx h PHE 16 Cb 1.14 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.63 1jjx h PHE 16 CO 0.30 1.24 -0.29 0.22 -2.23 0.00 0.00 178.31 177.55 1jjx h ASP 17 N 0.45 -0.97 -0.55 0.41 3.58 -1.95 -0.21 116.42 117.19 1jjx h ASP 17 Ca -0.04 0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1jjx h ASP 17 Cb 1.30 0.47 -0.03 0.00 1.72 0.00 0.00 39.33 42.79 1jjx h ASP 17 CO 0.14 -0.30 0.26 -0.08 -2.88 0.00 0.00 179.24 176.38 1jjx h GLU 18 N -0.23 0.79 -0.46 0.28 4.81 -2.00 -1.59 114.58 116.18 1jjx h GLU 18 Ca 0.18 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1jjx h GLU 18 Cb 0.51 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1jjx h GLU 18 CO -0.52 0.65 0.12 -0.92 -0.73 0.00 0.00 179.01 177.61 1jjx h TYR 19 N 0.74 0.20 -0.76 0.92 3.20 -1.45 -0.22 116.97 119.60 1jjx h TYR 19 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1jjx h TYR 19 Cb 0.13 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1jjx h TYR 19 CO -0.00 0.04 0.49 0.52 -1.64 0.00 0.00 178.16 177.57 1jjx h MET 20 N 0.26 1.01 0.03 1.82 2.86 -0.91 0.13 114.93 120.13 1jjx h MET 20 Ca 0.22 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1jjx h MET 20 Cb 0.26 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1jjx h MET 20 CO -0.27 0.68 -0.01 -0.22 1.06 0.00 0.00 176.91 178.15 1jjx h LYS 21 N 1.04 -0.03 -0.61 1.72 1.63 -1.19 -1.70 116.57 117.42 1jjx h LYS 21 Ca 0.28 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.10 1jjx h LYS 21 Cb -0.10 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.50 1jjx h LYS 21 CO -0.06 0.10 0.38 0.00 -3.45 0.00 0.00 179.45 176.42 1jjx h ALA 22 N 0.82 0.78 0.00 5.00 0.00 -0.77 -2.58 119.26 122.51 1jjx h ALA 22 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jjx h ALA 22 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jjx h ALA 22 CO 0.01 0.14 0.00 -0.11 0.00 0.00 0.00 179.25 179.29 1jjx n LEU 23 N -4.71 0.64 -0.07 0.00 7.94 0.01 -5.00 117.00 115.81 1jjx n LEU 23 Ca 0.05 0.60 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1jjx n LEU 23 Cb 0.06 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.56 1jjx n LEU 23 CO 0.33 -0.32 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 1jjx n GLY 24 N 0.72 0.95 2.71 -3.96 0.00 -0.90 -5.01 105.19 99.69 1jjx n GLY 24 Ca 0.04 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1jjx n GLY 24 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jjx n VAL 25 N -2.67 3.45 -4.71 1.61 0.24 -0.69 -4.94 118.33 110.63 1jjx n VAL 25 Ca 0.00 -2.92 0.00 0.00 -2.04 0.00 0.00 64.34 59.38 1jjx n VAL 25 Cb 0.32 -2.60 0.00 0.00 -1.47 0.00 0.00 33.84 30.10 1jjx n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jjx n GLY 26 N 4.08 0.75 0.12 7.63 0.00 -1.26 -1.91 105.19 114.60 1jjx n GLY 26 Ca 0.54 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1jjx n GLY 26 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jjx n PHE 27 N -0.18 0.36 -0.34 1.61 7.35 -1.26 -4.55 117.46 120.45 1jjx n PHE 27 Ca 0.00 0.16 -0.01 0.00 -0.76 0.00 0.00 57.45 56.84 1jjx n PHE 27 Cb 0.00 -0.98 0.15 0.00 0.35 0.00 0.00 39.48 39.00 1jjx n PHE 27 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jjx h ALA 28 N -0.84 1.34 -0.15 3.13 0.00 -2.00 -1.82 119.26 118.93 1jjx h ALA 28 Ca -0.51 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1jjx h ALA 28 Cb 1.42 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1jjx h ALA 28 CO -0.31 0.60 -0.40 1.15 0.00 0.00 0.00 179.25 180.29 1jjx h THR 29 N 1.26 1.30 -0.15 0.00 2.02 -1.87 -0.62 112.91 114.85 1jjx h THR 29 Ca 0.36 -1.51 0.03 0.00 0.77 0.00 0.00 66.41 66.05 1jjx h THR 29 Cb -0.10 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1jjx h THR 29 CO -0.09 0.46 -0.04 0.03 0.37 0.00 0.00 175.52 176.26 1jjx h ARG 30 N 0.27 0.00 -0.19 6.66 3.08 -1.16 0.18 114.38 123.23 1jjx h ARG 30 Ca 0.03 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1jjx h ARG 30 Cb 0.82 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 1jjx h ARG 30 CO 0.07 0.00 -0.13 1.96 -1.07 0.00 0.00 179.97 180.79 1jjx h GLN 31 N 0.00 -0.13 0.13 0.04 1.08 -1.20 -2.16 115.11 112.87 1jjx h GLN 31 Ca 0.07 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1jjx h GLN 31 Cb 0.11 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1jjx h GLN 31 CO -0.15 -0.09 -0.48 0.28 -0.95 0.00 0.00 178.83 177.44 1jjx h VAL 32 N -0.13 0.00 -0.38 -0.54 2.07 -1.15 -2.59 116.25 113.52 1jjx h VAL 32 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1jjx h VAL 32 Cb 0.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1jjx h VAL 32 CO -0.27 0.00 0.29 1.23 0.02 0.00 0.00 177.57 178.84 1jjx h GLY 33 N -0.70 0.00 0.52 2.17 0.00 -0.88 -0.81 103.07 103.37 1jjx h GLY 33 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1jjx h GLY 33 CO -0.25 0.00 -0.25 3.43 0.00 0.00 0.00 176.54 179.47 1jjx h ASN 34 N 0.00 0.26 0.47 0.19 2.35 -1.40 -3.40 115.58 114.05 1jjx h ASN 34 Ca 0.18 -0.72 -0.21 0.00 -0.55 0.00 0.00 56.30 55.00 1jjx h ASN 34 Cb 0.76 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1jjx h ASN 34 CO -0.00 0.93 -0.90 -0.37 -1.65 0.00 0.00 177.43 175.45 1jjx h VAL 35 N -0.40 1.45 -3.20 2.81 -1.51 -1.07 -3.47 116.25 110.86 1jjx h VAL 35 Ca -0.02 -2.53 -0.58 0.00 -1.23 0.00 0.00 66.70 62.34 1jjx h VAL 35 Cb 0.95 2.43 -0.04 0.00 -2.13 0.00 0.00 31.29 32.50 1jjx h VAL 35 CO 0.05 0.74 -0.15 0.28 -1.23 0.00 0.00 177.57 177.26 1jjx s THR 36 N -3.25 4.96 -0.38 7.19 -1.32 -0.34 -5.09 115.64 117.40 1jjx s THR 36 Ca -0.04 0.71 -0.19 0.00 -1.21 0.00 0.00 61.69 60.96 1jjx s THR 36 Cb 0.10 -3.71 0.01 0.00 -1.51 0.00 0.00 72.50 67.39 1jjx s THR 36 CO 0.84 0.31 0.57 -0.75 -2.21 0.00 0.00 174.62 173.39 1jjx s LYS 37 N -1.80 3.48 -0.06 7.08 2.20 -1.26 -4.88 119.74 124.50 1jjx s LYS 37 Ca 0.34 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 1jjx s LYS 37 Cb -0.15 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 1jjx s LYS 37 CO 0.18 -0.79 1.36 -1.25 -0.36 0.00 0.00 175.35 174.49 1jjx s PRO 38 N 2.56 4.27 -0.69 4.03 0.04 -1.26 -4.60 135.00 139.35 1jjx s PRO 38 Ca 0.20 1.87 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 1jjx s PRO 38 Cb -0.15 -3.67 0.11 0.00 0.04 0.00 0.00 34.50 30.83 1jjx s PRO 38 CO 0.15 -0.62 0.85 0.99 0.04 0.00 0.00 177.00 178.41 1jjx s THR 39 N 2.84 4.74 -0.58 1.26 2.01 -0.13 -3.55 115.64 122.23 1jjx s THR 39 Ca 0.61 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.36 1jjx s THR 39 Cb -0.28 -4.59 0.09 0.00 0.01 0.00 0.00 72.50 67.73 1jjx s THR 39 CO 0.23 -1.27 0.73 -0.69 -0.69 0.00 0.00 174.62 172.93 1jjx s VAL 40 N 2.82 4.75 -0.57 3.82 1.01 0.08 -1.99 120.40 130.33 1jjx s VAL 40 Ca 0.18 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1jjx s VAL 40 Cb -0.18 -4.48 0.05 0.00 0.00 0.00 0.00 36.38 31.77 1jjx s VAL 40 CO 0.03 -1.11 0.86 -0.63 0.00 0.00 0.00 175.10 174.25 1jjx s ILE 41 N 2.89 4.50 -0.36 2.22 1.01 -0.34 -1.28 121.20 129.84 1jjx s ILE 41 Ca 0.14 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.47 1jjx s ILE 41 Cb -0.22 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.74 1jjx s ILE 41 CO 0.08 -1.13 0.67 -0.63 0.00 0.00 0.00 174.94 173.93 1jjx s ILE 42 N 3.62 4.86 -0.03 2.92 1.01 -0.60 -0.72 121.20 132.25 1jjx s ILE 42 Ca 0.24 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.52 1jjx s ILE 42 Cb -0.16 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1jjx s ILE 42 CO 0.15 -0.35 -0.02 -0.94 0.00 0.00 0.00 174.94 173.78 1jjx s SER 43 N 1.81 0.60 -0.81 3.58 1.04 -0.29 -1.95 113.70 117.69 1jjx s SER 43 Ca 0.26 -0.06 -0.21 0.00 0.48 0.00 0.00 55.95 56.41 1jjx s SER 43 Cb -0.14 -0.30 0.09 0.00 0.10 0.00 0.00 66.02 65.76 1jjx s SER 43 CO 0.15 -0.08 1.10 -1.10 0.98 0.00 0.00 173.24 174.29 1jjx s GLN 44 N 0.96 3.35 -1.08 4.02 -0.21 -1.26 -0.24 119.66 125.20 1jjx s GLN 44 Ca -0.11 -1.18 -0.06 0.00 0.02 0.00 0.00 55.36 54.03 1jjx s GLN 44 Cb -0.14 -4.62 0.29 0.00 1.00 0.00 0.00 33.01 29.54 1jjx s GLN 44 CO -0.01 -1.87 1.22 0.39 -2.12 0.00 0.00 175.29 172.91 1jjx n GLU 45 N 7.51 3.81 -2.08 2.91 1.02 -0.68 -4.74 120.64 128.38 1jjx n GLU 45 Ca 0.11 -4.50 -0.03 0.00 -0.02 0.00 0.00 57.16 52.72 1jjx n GLU 45 Cb 0.48 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1jjx n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jjx n GLY 46 N 2.11 -1.14 5.00 0.62 0.00 -1.26 -4.38 105.19 106.13 1jjx n GLY 46 Ca 0.25 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1jjx n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jjx n ASP 47 N -0.36 0.00 -4.79 1.61 2.03 -1.26 -4.95 116.55 108.83 1jjx n ASP 47 Ca 0.05 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.00 1jjx n ASP 47 Cb 0.18 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 1jjx n ASP 47 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1jjx s LYS 48 N 0.00 4.22 -0.16 -0.67 -2.85 -1.26 -4.94 119.74 114.07 1jjx s LYS 48 Ca 0.00 1.45 -0.21 0.00 -1.00 0.00 0.00 55.97 56.21 1jjx s LYS 48 Cb 0.00 -2.54 -0.03 0.00 -2.06 0.00 0.00 37.83 33.21 1jjx s LYS 48 CO 0.00 -0.08 0.64 0.08 0.10 0.00 0.00 175.35 176.09 1jjx s VAL 49 N -1.70 5.03 -0.30 1.79 1.01 0.02 -1.68 120.40 124.56 1jjx s VAL 49 Ca 0.57 1.25 -0.04 0.00 0.00 0.00 0.00 61.98 63.76 1jjx s VAL 49 Cb -0.20 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.25 1jjx s VAL 49 CO 0.26 0.15 0.02 -0.69 0.00 0.00 0.00 175.10 174.84 1jjx s VAL 50 N 1.61 3.31 -0.34 2.92 1.01 0.66 -2.07 120.40 127.50 1jjx s VAL 50 Ca 0.31 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1jjx s VAL 50 Cb -0.16 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 1jjx s VAL 50 CO 0.12 -0.03 0.64 -0.63 0.00 0.00 0.00 175.10 175.20 1jjx s ILE 51 N 1.34 4.90 -0.56 2.22 1.01 -0.81 -1.13 121.20 128.17 1jjx s ILE 51 Ca -0.02 0.68 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 1jjx s ILE 51 Cb -0.19 -4.05 0.15 0.00 0.01 0.00 0.00 42.46 38.38 1jjx s ILE 51 CO -0.00 -0.26 0.42 -0.13 0.00 0.00 0.00 174.94 174.96 1jjx s ARG 52 N 2.68 2.60 -0.93 2.79 0.52 0.10 -1.47 118.95 125.24 1jjx s ARG 52 Ca 0.25 -2.11 -0.21 0.00 -0.52 0.00 0.00 55.73 53.13 1jjx s ARG 52 Cb -0.15 -3.89 0.09 0.00 0.52 0.00 0.00 34.95 31.52 1jjx s ARG 52 CO 0.14 -1.19 1.25 0.99 0.02 0.00 0.00 175.30 176.51 1jjx s THR 53 N 0.72 4.29 -0.62 0.02 2.01 -0.24 -1.20 115.64 120.63 1jjx s THR 53 Ca 0.11 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 61.01 1jjx s THR 53 Cb -0.22 -4.89 0.16 0.00 0.01 0.00 0.00 72.50 67.56 1jjx s THR 53 CO -0.03 -1.70 0.53 -0.76 -0.69 0.00 0.00 174.62 171.96 1jjx s LEU 54 N 3.96 6.09 -0.28 4.42 1.43 -0.84 -2.04 118.68 131.42 1jjx s LEU 54 Ca 0.37 -2.24 0.10 0.00 -1.03 0.00 0.00 54.13 51.34 1jjx s LEU 54 Cb -0.04 -2.10 0.53 0.00 0.03 0.00 0.00 46.19 44.60 1jjx s LEU 54 CO -0.06 -0.66 1.50 -1.54 0.23 0.00 0.00 176.35 175.82 1jjx n SER 55 N 4.54 2.97 -1.05 2.29 3.41 -1.26 -0.96 113.62 123.56 1jjx n SER 55 Ca -0.01 -3.57 -0.07 0.00 -0.26 0.00 0.00 58.87 54.96 1jjx n SER 55 Cb 0.42 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1jjx n SER 55 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1jjx n THR 56 N -0.96 0.00 0.18 6.66 5.66 -1.26 -4.52 114.28 120.04 1jjx n THR 56 Ca 0.33 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 1jjx n THR 56 Cb 1.07 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 1jjx n THR 56 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1jjx n PHE 57 N -1.40 -3.91 0.19 1.09 3.72 -1.26 -5.03 117.46 110.86 1jjx n PHE 57 Ca -0.07 1.16 -0.08 0.00 -0.05 0.00 0.00 57.45 58.42 1jjx n PHE 57 Cb 0.24 2.87 -0.04 0.00 -0.94 0.00 0.00 39.48 41.61 1jjx n PHE 57 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1jjx h LYS 58 N 0.00 -0.51 -5.45 -1.08 3.64 -1.89 -3.49 116.57 107.79 1jjx h LYS 58 Ca 0.00 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1jjx h LYS 58 Cb 0.00 0.12 0.12 0.00 -0.41 0.00 0.00 32.23 32.06 1jjx h LYS 58 CO 0.00 -0.34 -0.55 0.09 -2.27 0.00 0.00 179.45 176.38 1jjx n ASN 59 N -4.72 -7.04 -4.17 4.20 3.02 -1.14 -4.98 115.26 100.43 1jjx n ASN 59 Ca -0.07 -0.48 -0.33 0.00 -0.03 0.00 0.00 54.58 53.67 1jjx n ASN 59 Cb 0.21 -5.19 -0.16 0.00 -0.61 0.00 0.00 39.78 34.03 1jjx n ASN 59 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1jjx s THR 60 N -3.24 2.24 -0.31 3.41 -1.32 -0.87 -4.98 115.64 110.58 1jjx s THR 60 Ca 0.29 -0.90 -0.06 0.00 -1.21 0.00 0.00 61.69 59.81 1jjx s THR 60 Cb -0.04 -1.93 0.02 0.00 -1.51 0.00 0.00 72.50 69.04 1jjx s THR 60 CO 0.75 0.53 0.08 -1.83 -2.21 0.00 0.00 174.62 171.94 1jjx s GLU 61 N 1.05 2.89 -0.27 7.08 -1.05 -1.26 -1.08 118.70 126.07 1jjx s GLU 61 Ca -0.01 -0.99 -0.04 0.00 -0.15 0.00 0.00 54.97 53.78 1jjx s GLU 61 Cb -0.14 -3.39 0.02 0.00 -0.44 0.00 0.00 34.13 30.18 1jjx s GLU 61 CO -0.06 -0.53 -0.00 0.96 0.95 0.00 0.00 175.26 176.58 1jjx s ILE 62 N 1.45 3.30 -0.27 1.83 -4.36 -0.54 -4.98 121.20 117.64 1jjx s ILE 62 Ca 0.01 -0.92 -0.08 0.00 -0.26 0.00 0.00 60.65 59.40 1jjx s ILE 62 Cb -0.18 -2.70 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 1jjx s ILE 62 CO 0.02 0.13 0.09 -0.94 0.24 0.00 0.00 174.94 174.49 1jjx s SER 63 N 1.39 5.23 0.06 4.36 1.04 -1.26 -1.93 113.70 122.58 1jjx s SER 63 Ca 0.01 -0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.00 1jjx s SER 63 Cb -0.17 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 64.03 1jjx s SER 63 CO -0.02 -0.08 0.28 0.72 0.98 0.00 0.00 173.24 175.12 1jjx s PHE 64 N 1.61 -0.04 0.21 5.02 -0.12 -0.88 -5.00 117.98 118.78 1jjx s PHE 64 Ca 0.06 -0.18 -0.07 0.00 -0.05 0.00 0.00 56.93 56.69 1jjx s PHE 64 Cb -0.16 0.07 -0.06 0.00 -0.63 0.00 0.00 43.02 42.24 1jjx s PHE 64 CO 0.04 -0.52 0.50 -0.65 -0.05 0.00 0.00 175.22 174.54 1jjx s GLN 65 N -2.93 3.71 0.08 1.99 -0.21 -1.26 -0.80 119.66 120.24 1jjx s GLN 65 Ca -0.02 0.11 -0.31 0.00 0.02 0.00 0.00 55.36 55.15 1jjx s GLN 65 Cb 0.00 -2.71 -0.08 0.00 1.00 0.00 0.00 33.01 31.23 1jjx s GLN 65 CO -0.06 0.34 1.48 -0.51 -2.12 0.00 0.00 175.29 174.43 1jjx s LEU 66 N -2.92 4.35 0.00 2.90 1.43 -1.26 -1.93 118.68 121.26 1jjx s LEU 66 Ca 0.45 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1jjx s LEU 66 Cb -0.11 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1jjx s LEU 66 CO 0.24 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.68 1jjx n GLY 67 N 3.70 1.95 3.69 -3.19 0.00 0.13 -4.99 105.19 106.48 1jjx n GLY 67 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1jjx n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjx s GLU 68 N -0.16 4.36 -0.11 1.61 -6.30 -0.81 -4.89 118.70 112.41 1jjx s GLU 68 Ca 0.00 0.89 -0.30 0.00 -2.50 0.00 0.00 54.97 53.06 1jjx s GLU 68 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 34.13 30.61 1jjx s GLU 68 CO 0.00 -0.10 1.06 -2.00 0.02 0.00 0.00 175.26 174.24 1jjx s GLU 69 N 1.37 4.39 0.03 4.30 2.12 -1.26 -4.28 118.70 125.36 1jjx s GLU 69 Ca 0.37 1.46 0.04 0.00 0.36 0.00 0.00 54.97 57.20 1jjx s GLU 69 Cb -0.17 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 1jjx s GLU 69 CO 0.15 -0.38 -0.13 -0.59 -0.54 0.00 0.00 175.26 173.78 1jjx s PHE 70 N 2.20 1.12 0.16 5.30 -0.71 0.04 -4.92 117.98 121.16 1jjx s PHE 70 Ca 0.50 -0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.75 1jjx s PHE 70 Cb -0.19 -0.67 -0.07 0.00 -1.21 0.00 0.00 43.02 40.87 1jjx s PHE 70 CO 0.18 0.02 1.17 -0.51 -1.34 0.00 0.00 175.22 174.73 1jjx s ASP 71 N -1.02 7.14 -0.07 1.98 1.11 -1.26 -0.19 116.67 124.35 1jjx s ASP 71 Ca 0.01 2.15 0.00 0.00 0.18 0.00 0.00 52.55 54.88 1jjx s ASP 71 Cb -0.07 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.34 1jjx s ASP 71 CO 0.01 -0.34 -0.04 -0.70 1.18 0.00 0.00 175.17 175.28 1jjx s GLU 72 N -0.02 0.92 0.07 8.23 2.12 -0.06 -4.94 118.70 125.02 1jjx s GLU 72 Ca 0.53 -0.07 -0.31 0.00 0.36 0.00 0.00 54.97 55.48 1jjx s GLU 72 Cb -0.31 -1.05 -0.07 0.00 0.26 0.00 0.00 34.13 32.96 1jjx s GLU 72 CO 0.35 -0.19 1.37 0.99 -0.54 0.00 0.00 175.26 177.24 1jjx s THR 73 N 1.41 3.52 0.47 -1.70 2.01 -1.26 -0.71 115.64 119.38 1jjx s THR 73 Ca -0.03 1.04 0.06 0.00 0.31 0.00 0.00 61.69 63.08 1jjx s THR 73 Cb -0.13 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1jjx s THR 73 CO -0.03 0.05 0.64 0.42 -0.69 0.00 0.00 174.62 175.02 1jjx s THR 74 N 1.51 2.86 0.62 -0.82 -4.23 -0.88 -4.99 115.64 109.71 1jjx s THR 74 Ca 0.64 -0.89 0.28 0.00 -1.18 0.00 0.00 61.69 60.53 1jjx s THR 74 Cb -0.34 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 70.87 1jjx s THR 74 CO 0.29 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.21 1jjx h ALA 75 N 0.44 1.96 0.00 3.99 0.00 -1.97 -0.66 119.26 123.02 1jjx h ALA 75 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jjx h ALA 75 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1jjx h ALA 75 CO 0.47 -0.67 0.00 0.22 0.00 0.00 0.00 179.25 179.27 1jjx h ASP 76 N 0.00 0.00 -2.89 0.00 -0.00 -1.95 -3.48 116.42 108.10 1jjx h ASP 76 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.03 56.91 1jjx h ASP 76 Cb 1.15 0.00 0.03 0.00 -0.00 0.00 0.00 39.33 40.51 1jjx h ASP 76 CO -0.00 0.00 -0.40 0.47 -0.00 0.00 0.00 179.24 179.31 1jjx n ASP 77 N -2.42 -4.56 -4.74 2.28 8.00 -0.25 -4.96 116.55 109.89 1jjx n ASP 77 Ca 0.04 -0.15 -0.35 0.00 0.71 0.00 0.00 54.79 55.04 1jjx n ASP 77 Cb 0.38 -3.50 -0.08 0.00 -0.02 0.00 0.00 41.12 37.90 1jjx n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jjx s ARG 78 N -5.17 3.81 -0.39 -1.24 1.70 -1.26 -4.91 118.95 111.49 1jjx s ARG 78 Ca 0.16 -0.25 -0.18 0.00 -0.47 0.00 0.00 55.73 54.98 1jjx s ARG 78 Cb -0.07 -3.24 0.01 0.00 -0.57 0.00 0.00 34.95 31.08 1jjx s ARG 78 CO 0.19 0.46 0.52 -0.80 -1.08 0.00 0.00 175.30 174.60 1jjx s ASN 79 N -0.13 6.29 -0.05 -2.89 0.01 -1.26 -2.08 114.94 114.83 1jjx s ASN 79 Ca 0.09 -0.26 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 1jjx s ASN 79 Cb -0.12 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1jjx s ASN 79 CO 0.01 -0.57 -0.07 0.00 -1.51 0.00 0.00 177.10 174.96 1jjx s LYS 81 N -1.01 3.52 -0.19 0.00 -0.14 0.06 -0.88 119.74 121.10 1jjx s LYS 81 Ca 0.14 1.00 -0.04 0.00 -1.36 0.00 0.00 55.97 55.71 1jjx s LYS 81 Cb -0.11 -4.06 -0.02 0.00 -1.68 0.00 0.00 37.83 31.95 1jjx s LYS 81 CO 0.03 -1.64 -0.02 -1.12 -0.76 0.00 0.00 175.35 171.84 1jjx s SER 82 N 4.36 4.73 -0.10 2.83 0.01 0.73 -0.85 113.70 125.41 1jjx s SER 82 Ca 0.64 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.72 1jjx s SER 82 Cb -0.15 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.30 1jjx s SER 82 CO 0.33 0.09 -0.14 0.54 0.41 0.00 0.00 173.24 174.46 1jjx s VAL 83 N 0.83 1.41 -0.25 3.43 0.11 -0.77 -0.78 120.40 124.39 1jjx s VAL 83 Ca -0.00 -0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 1jjx s VAL 83 Cb -0.14 -1.30 0.02 0.00 -1.53 0.00 0.00 36.38 33.43 1jjx s VAL 83 CO 0.02 0.42 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.47 1jjx s VAL 84 N 0.96 3.03 0.06 2.04 1.01 -1.26 -1.04 120.40 125.20 1jjx s VAL 84 Ca -0.08 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1jjx s VAL 84 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1jjx s VAL 84 CO -0.01 0.23 -0.15 -0.94 0.00 0.00 0.00 175.10 174.24 1jjx s SER 85 N 1.37 1.75 -0.30 3.32 1.04 -1.11 -0.70 113.70 119.08 1jjx s SER 85 Ca 0.01 -0.55 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 1jjx s SER 85 Cb -0.16 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1jjx s SER 85 CO -0.04 -0.02 0.81 -0.76 0.98 0.00 0.00 173.24 174.22 1jjx s LEU 86 N -1.49 4.08 -0.90 2.42 1.43 -1.26 -1.26 118.68 121.69 1jjx s LEU 86 Ca 0.00 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1jjx s LEU 86 Cb -0.09 -3.12 0.32 0.00 0.03 0.00 0.00 46.19 43.33 1jjx s LEU 86 CO 0.02 -0.62 1.47 -0.67 0.23 0.00 0.00 176.35 176.78 1jjx n ASP 87 N 6.23 6.23 -2.03 2.29 2.03 0.13 -4.84 116.55 126.60 1jjx n ASP 87 Ca 0.04 -3.62 -0.02 0.00 0.52 0.00 0.00 54.79 51.72 1jjx n ASP 87 Cb 0.48 -1.01 0.01 0.00 -0.72 0.00 0.00 41.12 39.88 1jjx n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjx n GLY 88 N 0.22 -0.32 3.84 0.27 0.00 -1.26 -4.19 105.19 103.76 1jjx n GLY 88 Ca 0.38 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 1jjx n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jjx n ASP 89 N -1.52 -0.71 -3.42 1.61 2.03 -1.26 -5.03 116.55 108.25 1jjx n ASP 89 Ca -0.01 -0.92 -0.17 0.00 0.52 0.00 0.00 54.79 54.21 1jjx n ASP 89 Cb 0.51 -3.50 -0.10 0.00 -0.72 0.00 0.00 41.12 37.32 1jjx n ASP 89 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1jjx s LYS 90 N -6.30 0.29 -0.56 -0.67 2.20 -1.26 -4.22 119.74 109.22 1jjx s LYS 90 Ca 0.01 0.01 -0.25 0.00 -0.36 0.00 0.00 55.97 55.38 1jjx s LYS 90 Cb -0.01 -0.77 0.04 0.00 -1.51 0.00 0.00 37.83 35.59 1jjx s LYS 90 CO 0.85 -0.90 1.03 -0.51 -0.36 0.00 0.00 175.35 175.46 1jjx s LEU 91 N 2.37 3.88 -0.49 5.43 1.43 -0.37 -0.69 118.68 130.25 1jjx s LEU 91 Ca 0.09 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1jjx s LEU 91 Cb -0.14 -2.93 0.09 0.00 0.03 0.00 0.00 46.19 43.23 1jjx s LEU 91 CO -0.26 -1.32 0.41 -0.69 0.23 0.00 0.00 176.35 174.72 1jjx s VAL 92 N 4.30 5.05 -0.51 -1.59 1.01 -0.39 -1.90 120.40 126.37 1jjx s VAL 92 Ca 0.35 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 1jjx s VAL 92 Cb -0.11 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1jjx s VAL 92 CO 0.21 -0.67 0.77 -2.28 0.00 0.00 0.00 175.10 173.14 1jjx s HIS 93 N 1.59 2.94 -0.43 5.22 2.46 -0.93 -2.73 115.29 123.40 1jjx s HIS 93 Ca 0.04 -0.21 -0.16 0.00 0.47 0.00 0.00 55.06 55.20 1jjx s HIS 93 Cb -0.26 -3.76 0.03 0.00 -0.13 0.00 0.00 32.58 28.47 1jjx s HIS 93 CO 0.05 -1.15 0.36 0.42 -2.47 0.00 0.00 174.74 171.94 1jjx s ILE 94 N 3.26 5.21 -0.27 0.89 1.01 -0.21 -1.04 121.20 130.06 1jjx s ILE 94 Ca 0.24 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1jjx s ILE 94 Cb -0.15 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1jjx s ILE 94 CO 0.17 -0.41 0.27 -1.10 0.00 0.00 0.00 174.94 173.86 1jjx s GLN 95 N 1.78 4.00 -0.18 2.79 -0.21 -0.17 -1.85 119.66 125.82 1jjx s GLN 95 Ca 0.06 -0.15 -0.00 0.00 0.02 0.00 0.00 55.36 55.29 1jjx s GLN 95 Cb -0.20 -3.64 0.01 0.00 1.00 0.00 0.00 33.01 30.18 1jjx s GLN 95 CO 0.10 -0.19 -0.16 0.15 -2.12 0.00 0.00 175.29 173.07 1jjx s LYS 96 N 1.79 3.11 -0.13 2.91 1.02 -0.03 -2.28 119.74 126.12 1jjx s LYS 96 Ca 0.11 -0.78 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 1jjx s LYS 96 Cb -0.16 -2.66 0.05 0.00 -0.52 0.00 0.00 37.83 34.54 1jjx s LYS 96 CO 0.10 -0.16 0.33 1.67 -0.92 0.00 0.00 175.35 176.37 1jjx s TRP 97 N 1.22 -0.44 -2.00 3.18 -2.14 -0.59 -0.76 118.94 117.41 1jjx s TRP 97 Ca 0.03 1.00 0.00 0.00 2.66 0.00 0.00 56.10 59.78 1jjx s TRP 97 Cb -0.14 0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.38 1jjx s TRP 97 CO -0.08 -0.25 0.00 -0.25 -2.66 0.00 0.00 176.95 173.71 1jjx n ASP 98 N 3.83 -5.68 0.00 -2.66 9.92 -1.26 -0.53 116.55 120.17 1jjx n ASP 98 Ca -0.21 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1jjx n ASP 98 Cb 0.55 -4.87 0.00 0.00 -0.64 0.00 0.00 41.12 36.16 1jjx n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjx n GLY 99 N -0.69 0.52 3.31 0.44 0.00 -1.26 -5.09 105.19 102.42 1jjx n GLY 99 Ca -0.23 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1jjx n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjx s LYS 100 N -0.04 1.90 -0.05 1.61 3.01 0.31 -5.15 119.74 121.33 1jjx s LYS 100 Ca 0.00 -0.99 0.02 0.00 -1.01 0.00 0.00 55.97 53.98 1jjx s LYS 100 Cb 0.00 -1.95 0.02 0.00 -1.01 0.00 0.00 37.83 34.89 1jjx s LYS 100 CO 0.00 0.52 -0.07 -2.00 0.51 0.00 0.00 175.35 174.31 1jjx s GLU 101 N -0.90 1.15 -0.07 1.68 2.12 -1.26 -1.54 118.70 119.89 1jjx s GLU 101 Ca 0.10 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.27 1jjx s GLU 101 Cb -0.10 -1.04 -0.01 0.00 0.26 0.00 0.00 34.13 33.25 1jjx s GLU 101 CO 0.00 -0.03 -0.24 -0.08 -0.54 0.00 0.00 175.26 174.37 1jjx s THR 102 N 0.79 2.00 -0.08 -1.70 -1.32 -0.96 -4.53 115.64 109.84 1jjx s THR 102 Ca -0.13 -1.02 0.03 0.00 -1.21 0.00 0.00 61.69 59.36 1jjx s THR 102 Cb -0.15 -1.70 -0.02 0.00 -1.51 0.00 0.00 72.50 69.12 1jjx s THR 102 CO 0.02 0.55 -0.18 0.54 -2.21 0.00 0.00 174.62 173.34 1jjx s ASN 103 N -0.02 3.64 -0.52 8.08 2.20 -1.09 -1.00 114.94 126.23 1jjx s ASN 103 Ca -0.07 -0.37 -0.08 0.00 -0.94 0.00 0.00 52.86 51.40 1jjx s ASN 103 Cb -0.15 -1.14 0.13 0.00 -2.00 0.00 0.00 41.25 38.10 1jjx s ASN 103 CO 0.05 0.24 0.38 -0.36 -2.94 0.00 0.00 177.10 174.47 1jjx s PHE 104 N -0.11 3.47 -0.68 1.54 0.08 -0.21 -2.04 117.98 120.02 1jjx s PHE 104 Ca -0.03 -2.05 -0.24 0.00 0.12 0.00 0.00 56.93 54.73 1jjx s PHE 104 Cb -0.14 -3.46 0.06 0.00 -0.57 0.00 0.00 43.02 38.91 1jjx s PHE 104 CO 0.04 -0.97 1.05 0.08 -0.10 0.00 0.00 175.22 175.32 1jjx s VAL 105 N 1.04 4.16 -0.35 -0.44 1.01 0.03 -2.19 120.40 123.66 1jjx s VAL 105 Ca 0.09 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1jjx s VAL 105 Cb -0.24 -4.75 -0.00 0.00 0.00 0.00 0.00 36.38 31.39 1jjx s VAL 105 CO -0.02 -1.57 0.22 -0.60 0.00 0.00 0.00 175.10 173.13 1jjx s ARG 106 N 4.52 3.28 0.03 2.72 3.52 -0.80 -0.94 118.95 131.28 1jjx s ARG 106 Ca 0.26 -0.78 0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1jjx s ARG 106 Cb -0.14 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 1jjx s ARG 106 CO 0.11 -0.52 -0.17 -1.83 -0.81 0.00 0.00 175.30 172.08 1jjx s GLU 107 N 1.66 1.21 -0.48 5.12 -1.05 -0.56 -1.24 118.70 123.37 1jjx s GLU 107 Ca 0.05 -0.78 -0.25 0.00 -0.15 0.00 0.00 54.97 53.84 1jjx s GLU 107 Cb -0.18 -1.25 0.03 0.00 -0.44 0.00 0.00 34.13 32.29 1jjx s GLU 107 CO 0.09 0.32 0.90 0.42 0.95 0.00 0.00 175.26 177.94 1jjx s ILE 108 N -0.70 4.49 -0.75 1.83 -1.09 -1.26 -0.64 121.20 123.07 1jjx s ILE 108 Ca 0.05 0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 58.96 1jjx s ILE 108 Cb -0.08 -4.44 0.20 0.00 -1.58 0.00 0.00 42.46 36.56 1jjx s ILE 108 CO 0.01 -0.87 0.65 -0.75 -1.23 0.00 0.00 174.94 172.74 1jjx s LYS 109 N 3.71 3.21 -1.17 2.79 2.47 0.69 -4.80 119.74 126.63 1jjx s LYS 109 Ca 0.34 -2.52 -0.14 0.00 -1.56 0.00 0.00 55.97 52.09 1jjx s LYS 109 Cb -0.11 -4.15 -0.01 0.00 -1.46 0.00 0.00 37.83 32.09 1jjx s LYS 109 CO 0.24 -1.24 0.76 -3.47 0.16 0.00 0.00 175.35 171.80 1jjx n ASP 110 N 3.73 -4.46 0.00 1.43 2.03 -1.26 -2.61 116.55 115.41 1jjx n ASP 110 Ca 0.12 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1jjx n ASP 110 Cb 0.43 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 1jjx n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjx n GLY 111 N -1.64 2.62 3.83 0.27 0.00 -1.26 -5.07 105.19 103.95 1jjx n GLY 111 Ca -0.14 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 1jjx n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjx s LYS 112 N 0.00 3.95 -0.47 1.61 1.02 -1.07 -4.56 119.74 120.21 1jjx s LYS 112 Ca 0.00 0.45 -0.22 0.00 0.02 0.00 0.00 55.97 56.22 1jjx s LYS 112 Cb 0.00 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 34.14 1jjx s LYS 112 CO 0.00 0.67 0.73 1.41 -0.92 0.00 0.00 175.35 177.24 1jjx s MET 113 N -1.16 3.29 -0.48 1.68 -2.45 -0.23 -0.22 119.30 119.73 1jjx s MET 113 Ca 0.25 -0.39 -0.19 0.00 -1.25 0.00 0.00 55.69 54.12 1jjx s MET 113 Cb -0.17 -3.99 0.05 0.00 1.25 0.00 0.00 34.83 31.96 1jjx s MET 113 CO 0.15 -1.16 0.58 0.08 1.05 0.00 0.00 175.02 175.72 1jjx s VAL 114 N 3.10 4.92 -0.44 10.11 1.01 0.19 -1.08 120.40 138.21 1jjx s VAL 114 Ca 0.24 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 1jjx s VAL 114 Cb -0.14 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.07 1jjx s VAL 114 CO 0.19 -0.69 0.33 -0.32 0.00 0.00 0.00 175.10 174.60 1jjx s MET 115 N 2.53 2.88 -0.58 2.72 0.00 -0.33 -1.49 119.30 125.03 1jjx s MET 115 Ca 0.15 -1.29 -0.16 0.00 0.00 0.00 0.00 55.69 54.39 1jjx s MET 115 Cb -0.18 -3.98 0.13 0.00 0.00 0.00 0.00 34.83 30.80 1jjx s MET 115 CO 0.13 -0.93 0.56 0.99 0.00 0.00 0.00 175.02 175.78 1jjx s THR 116 N 1.59 5.17 -0.48 10.11 2.01 -0.12 -0.76 115.64 133.17 1jjx s THR 116 Ca 0.04 -1.50 -0.21 0.00 0.31 0.00 0.00 61.69 60.32 1jjx s THR 116 Cb -0.23 -4.38 0.04 0.00 0.01 0.00 0.00 72.50 67.94 1jjx s THR 116 CO 0.06 -0.93 0.72 -0.76 -0.69 0.00 0.00 174.62 173.02 1jjx s LEU 117 N 1.67 4.48 -0.12 4.42 1.02 0.47 -0.79 118.68 129.84 1jjx s LEU 117 Ca 0.06 -0.43 -0.02 0.00 0.02 0.00 0.00 54.13 53.76 1jjx s LEU 117 Cb -0.27 -2.73 -0.03 0.00 0.02 0.00 0.00 46.19 43.18 1jjx s LEU 117 CO 0.02 -0.91 -0.02 0.28 0.02 0.00 0.00 176.35 175.74 1jjx s THR 118 N 3.08 4.05 -0.34 5.49 -1.32 -0.87 -0.81 115.64 124.93 1jjx s THR 118 Ca 0.24 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 1jjx s THR 118 Cb -0.15 -2.73 0.11 0.00 -1.51 0.00 0.00 72.50 68.22 1jjx s THR 118 CO 0.18 0.55 0.10 0.12 -2.21 0.00 0.00 174.62 173.36 1jjx s PHE 119 N -0.27 2.50 0.00 9.09 5.36 -0.50 -2.69 117.98 131.48 1jjx s PHE 119 Ca 0.05 -2.31 0.00 0.00 -0.96 0.00 0.00 56.93 53.71 1jjx s PHE 119 Cb -0.13 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1jjx s PHE 119 CO 0.02 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.31 1jjx n GLY 120 N 4.42 1.59 0.03 13.12 0.00 -1.26 -1.68 105.19 121.41 1jjx n GLY 120 Ca 0.02 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1jjx n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jjx n ASP 121 N 5.43 1.62 -4.49 1.61 10.43 -1.26 -5.04 116.55 124.85 1jjx n ASP 121 Ca 0.00 -1.96 -0.43 0.00 2.57 0.00 0.00 54.79 54.97 1jjx n ASP 121 Cb 0.00 -0.06 -0.06 0.00 1.84 0.00 0.00 41.12 42.84 1jjx n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1jjx s VAL 122 N -1.03 4.79 -0.26 2.53 1.01 -0.68 -5.04 120.40 121.73 1jjx s VAL 122 Ca 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1jjx s VAL 122 Cb 0.04 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1jjx s VAL 122 CO 0.00 -0.74 -0.01 -0.69 0.00 0.00 0.00 175.10 173.66 1jjx s VAL 123 N 2.90 3.29 -0.23 2.92 1.01 -1.26 -1.41 120.40 127.61 1jjx s VAL 123 Ca 0.21 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1jjx s VAL 123 Cb -0.16 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1jjx s VAL 123 CO 0.16 0.19 0.09 0.00 0.00 0.00 0.00 175.10 175.55 1jjx s ALA 124 N 1.40 3.31 -0.43 5.51 0.00 0.01 -4.70 121.76 126.86 1jjx s ALA 124 Ca 0.02 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.88 1jjx s ALA 124 Cb -0.16 -2.10 0.08 0.00 0.00 0.00 0.00 23.12 20.94 1jjx s ALA 124 CO -0.02 -0.27 0.29 0.08 0.00 0.00 0.00 175.76 175.84 1jjx s VAL 125 N 1.21 4.43 -0.34 0.00 1.01 -0.19 -0.40 120.40 126.14 1jjx s VAL 125 Ca 0.05 -1.35 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 1jjx s VAL 125 Cb -0.14 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1jjx s VAL 125 CO 0.04 -0.54 0.51 -0.13 0.00 0.00 0.00 175.10 174.98 1jjx s ARG 126 N 1.47 3.69 -0.42 2.72 0.52 0.06 -0.97 118.95 126.02 1jjx s ARG 126 Ca 0.03 -0.09 -0.16 0.00 -0.52 0.00 0.00 55.73 54.99 1jjx s ARG 126 Cb -0.23 -3.78 0.02 0.00 0.52 0.00 0.00 34.95 31.47 1jjx s ARG 126 CO 0.03 -0.59 0.34 -1.01 0.02 0.00 0.00 175.30 174.08 1jjx s HIS 127 N 2.38 3.22 -0.17 -0.53 3.76 -0.45 -1.18 115.29 122.31 1jjx s HIS 127 Ca 0.19 -0.55 -0.04 0.00 -0.15 0.00 0.00 55.06 54.51 1jjx s HIS 127 Cb -0.15 -2.70 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 1jjx s HIS 127 CO 0.13 -0.63 -0.02 0.71 -0.85 0.00 0.00 174.74 174.07 1jjx s TYR 128 N 1.80 3.04 0.21 1.40 2.02 -0.24 -0.31 117.35 125.27 1jjx s TYR 128 Ca 0.07 -0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1jjx s TYR 128 Cb -0.19 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 1jjx s TYR 128 CO 0.11 -0.08 0.42 -1.21 -1.57 0.00 0.00 175.55 173.22 1jjx s GLU 129 N 0.53 3.57 0.18 -0.62 2.02 -0.68 -1.06 118.70 122.64 1jjx s GLU 129 Ca -0.02 -0.21 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 1jjx s GLU 129 Cb -0.14 -2.80 -0.08 0.00 0.10 0.00 0.00 34.13 31.21 1jjx s GLU 129 CO 0.02 0.37 1.22 0.15 0.02 0.00 0.00 175.26 177.05 1jjx s LYS 130 N -3.22 4.47 0.00 1.61 1.02 -1.26 -0.97 119.74 121.38 1jjx s LYS 130 Ca 0.40 1.91 0.16 0.00 0.02 0.00 0.00 55.97 58.47 1jjx s LYS 130 Cb -0.11 -3.23 0.13 0.00 -0.52 0.00 0.00 37.83 34.09 1jjx s LYS 130 CO 0.28 -0.13 1.02 0.00 -0.92 0.00 0.00 175.35 175.60