#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjx n GLU 2 N 0.00 0.00 -0.30 5.55 1.02 -1.26 -4.46 120.64 121.18 1jjx n GLU 2 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1jjx n GLU 2 Cb 0.00 -0.52 0.43 0.00 -0.02 0.00 0.00 31.44 31.33 1jjx n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jjx h ALA 3 N 0.00 1.99 0.00 0.62 0.00 -2.04 -2.53 119.26 117.29 1jjx h ALA 3 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jjx h ALA 3 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jjx h ALA 3 CO 0.00 -0.33 0.00 1.19 0.00 0.00 0.00 179.25 180.11 1jjx n PHE 4 N -4.63 0.32 -2.39 0.00 3.72 -1.26 -4.83 117.46 108.39 1jjx n PHE 4 Ca 0.22 0.11 -0.40 0.00 -0.05 0.00 0.00 57.45 57.33 1jjx n PHE 4 Cb 0.67 -0.68 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1jjx n PHE 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jjx s ALA 6 N 6.73 -1.85 -0.63 0.00 0.00 -0.91 -4.98 121.76 120.13 1jjx s ALA 6 Ca 0.46 0.84 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 1jjx s ALA 6 Cb -0.10 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1jjx s ALA 6 CO 0.18 -0.79 1.12 0.99 0.00 0.00 0.00 175.76 177.26 1jjx s THR 7 N -3.02 4.07 -0.41 0.00 2.01 -1.26 -1.57 115.64 115.45 1jjx s THR 7 Ca 0.08 0.44 -0.16 0.00 0.31 0.00 0.00 61.69 62.36 1jjx s THR 7 Cb -0.01 -4.73 0.02 0.00 0.01 0.00 0.00 72.50 67.79 1jjx s THR 7 CO -0.05 -1.45 0.34 0.26 -0.69 0.00 0.00 174.62 173.03 1jjx s TRP 8 N 4.81 3.22 -0.15 4.92 0.52 -0.51 -0.34 118.94 131.41 1jjx s TRP 8 Ca 0.35 -0.50 -0.13 0.00 0.02 0.00 0.00 56.10 55.84 1jjx s TRP 8 Cb -0.10 -2.68 -0.05 0.00 -1.15 0.00 0.00 33.47 29.50 1jjx s TRP 8 CO 0.19 -0.61 0.27 0.15 0.02 0.00 0.00 176.95 176.97 1jjx s LYS 9 N 1.82 4.17 -0.06 4.98 1.02 -0.14 -0.57 119.74 130.96 1jjx s LYS 9 Ca 0.07 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.83 1jjx s LYS 9 Cb -0.18 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.68 1jjx s LYS 9 CO 0.11 0.31 1.60 -1.17 -0.92 0.00 0.00 175.35 175.29 1jjx s LEU 10 N 0.24 4.31 -0.21 3.17 0.20 -1.22 -1.37 118.68 123.80 1jjx s LEU 10 Ca 0.16 2.18 -0.14 0.00 0.69 0.00 0.00 54.13 57.02 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 0.04 -0.90 0.07 0.35 -0.29 0.00 0.00 176.35 175.62 1jjx n THR 11 N 5.40 1.59 -3.58 3.68 -2.24 0.50 -4.93 114.28 114.70 1jjx n THR 11 Ca 0.17 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1jjx n THR 11 Cb 0.43 -1.87 -0.13 0.00 -2.10 0.00 0.00 70.33 66.66 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 -7.01 0.88 -0.65 3.42 2.47 -1.21 -4.99 114.94 107.83 1jjx s ASN 12 Ca -0.30 0.17 -0.11 0.00 0.42 0.00 0.00 52.86 53.04 1jjx s ASN 12 Cb 0.08 0.50 0.17 0.00 -1.45 0.00 0.00 41.25 40.55 1jjx s ASN 12 CO 0.61 -0.28 0.56 -0.94 -3.72 0.00 0.00 177.10 173.33 1jjx s SER 13 N 2.36 6.11 -0.23 -4.21 1.04 -1.26 -1.21 113.70 116.30 1jjx s SER 13 Ca 0.05 -2.39 -0.25 0.00 0.48 0.00 0.00 55.95 53.83 1jjx s SER 13 Cb -0.14 -2.09 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 1jjx s SER 13 CO -0.10 -0.61 0.86 -1.10 0.98 0.00 0.00 173.24 173.28 1jjx s GLN 14 N 0.64 4.22 -1.92 4.02 -0.21 -0.00 -4.12 119.66 122.29 1jjx s GLN 14 Ca 0.12 1.02 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1jjx s GLN 14 Cb -0.19 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.19 1jjx s GLN 14 CO -0.04 -0.50 0.00 -1.71 -2.12 0.00 0.00 175.29 170.92 1jjx n ASN 15 N 5.90 -5.21 -0.11 5.90 2.85 -1.26 -0.99 115.26 122.35 1jjx n ASN 15 Ca 0.06 0.42 -0.08 0.00 -0.11 0.00 0.00 54.58 54.87 1jjx n ASN 15 Cb 0.48 -4.32 0.08 0.00 1.24 0.00 0.00 39.78 37.25 1jjx n ASN 15 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1jjx h PHE 16 N 0.00 0.94 -0.43 1.20 3.57 -1.92 -2.62 116.94 117.67 1jjx h PHE 16 Ca -0.38 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 60.98 1jjx h PHE 16 Cb 1.20 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1jjx h PHE 16 CO 0.51 0.95 0.13 0.22 -2.23 0.00 0.00 178.31 177.89 1jjx h ASP 17 N 0.74 0.11 -0.25 0.41 3.58 -1.93 -0.55 116.42 118.53 1jjx h ASP 17 Ca 0.11 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1jjx h ASP 17 Cb 0.70 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1jjx h ASP 17 CO 0.05 0.10 0.13 -0.08 -2.88 0.00 0.00 179.24 176.56 1jjx h GLU 18 N 0.29 0.26 -0.45 0.28 4.81 -1.98 -0.71 114.58 117.08 1jjx h GLU 18 Ca 0.21 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 1jjx h GLU 18 Cb 0.22 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 1jjx h GLU 18 CO -0.23 0.17 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.21 1jjx h TYR 19 N 0.27 -0.21 -0.52 0.92 5.03 -1.35 0.40 116.97 121.51 1jjx h TYR 19 Ca 0.10 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.44 1jjx h TYR 19 Cb 0.03 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 1jjx h TYR 19 CO -0.09 -0.18 0.26 0.52 -1.32 0.00 0.00 178.16 177.35 1jjx h MET 20 N 0.02 0.75 -0.58 1.82 2.86 -0.99 -1.18 114.93 117.63 1jjx h MET 20 Ca 0.22 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1jjx h MET 20 Cb 0.33 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1jjx h MET 20 CO -0.45 0.61 0.25 -0.22 1.06 0.00 0.00 176.91 178.16 1jjx h LYS 21 N 0.70 0.86 -0.57 1.72 1.63 -1.10 -2.36 116.57 117.45 1jjx h LYS 21 Ca 0.18 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1jjx h LYS 21 Cb 0.10 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 1jjx h LYS 21 CO -0.02 0.72 0.31 0.00 -3.45 0.00 0.00 179.45 177.00 1jjx h ALA 22 N 1.10 0.73 -0.21 5.00 0.00 -0.83 -3.00 119.26 122.05 1jjx h ALA 22 Ca 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1jjx h ALA 22 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jjx h ALA 22 CO -0.02 0.25 -0.10 1.25 0.00 0.00 0.00 179.25 180.63 1jjx h LEU 23 N 0.76 0.31 -1.37 0.00 5.85 -1.29 -3.49 115.31 116.08 1jjx h LEU 23 Ca 0.20 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1jjx h LEU 23 Cb 0.05 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1jjx h LEU 23 CO -0.03 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.12 1jjx n GLY 24 N -0.86 0.61 2.53 3.75 0.00 -0.93 -5.01 105.19 105.28 1jjx n GLY 24 Ca -0.00 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.18 4.24 -4.03 1.61 0.24 -0.97 -4.97 118.33 113.28 1jjx n VAL 25 Ca 0.00 -3.25 0.00 0.00 -2.04 0.00 0.00 64.34 59.05 1jjx n VAL 25 Cb 0.40 -2.49 0.00 0.00 -1.47 0.00 0.00 33.84 30.29 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 3.29 0.46 0.13 7.63 0.00 -1.26 -1.31 105.19 114.13 1jjx n GLY 26 Ca 0.63 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.41 0.03 0.01 1.61 7.35 -1.26 -4.49 117.46 120.31 1jjx n PHE 27 Ca 0.00 0.01 -0.12 0.00 -0.76 0.00 0.00 57.45 56.58 1jjx n PHE 27 Cb 0.00 -1.00 -0.08 0.00 0.35 0.00 0.00 39.48 38.75 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 -0.35 0.02 -0.85 3.13 0.00 -2.00 -2.85 119.26 116.36 1jjx h ALA 28 Ca -0.62 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.20 1jjx h ALA 28 Cb 1.80 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 1jjx h ALA 28 CO -0.21 -0.37 0.55 1.15 0.00 0.00 0.00 179.25 180.38 1jjx h THR 29 N -0.20 1.17 -0.56 0.00 2.02 -1.87 -0.09 112.91 113.39 1jjx h THR 29 Ca 0.00 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1jjx h THR 29 Cb 0.23 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1jjx h THR 29 CO 0.00 0.20 0.36 0.08 0.37 0.00 0.00 175.52 176.53 1jjx h ARG 30 N 1.10 0.70 -0.43 6.66 0.11 -1.28 0.13 114.38 121.37 1jjx h ARG 30 Ca 0.33 -0.04 -0.13 0.00 0.10 0.00 0.00 59.98 60.23 1jjx h ARG 30 Cb -0.05 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 30.86 1jjx h ARG 30 CO -0.09 0.46 -0.26 1.96 0.10 0.00 0.00 179.97 182.14 1jjx h GLN 31 N 0.72 0.93 -0.18 0.08 7.50 -1.32 -1.11 115.11 121.73 1jjx h GLN 31 Ca 0.21 -0.43 0.05 0.00 0.50 0.00 0.00 58.65 58.99 1jjx h GLN 31 Cb -0.04 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 27.41 1jjx h GLN 31 CO -0.07 1.09 -0.35 0.28 -1.50 0.00 0.00 178.83 178.28 1jjx h VAL 32 N 0.76 0.23 -1.00 -0.54 2.07 -1.03 -1.55 116.25 115.19 1jjx h VAL 32 Ca 0.09 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.81 1jjx h VAL 32 Cb 0.84 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 1jjx h VAL 32 CO 0.07 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.51 1jjx h GLY 33 N -0.40 1.75 0.79 2.17 0.00 -0.90 -1.56 103.07 104.92 1jjx h GLY 33 Ca 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1jjx h GLY 33 CO -0.40 -0.08 -0.07 3.43 0.00 0.00 0.00 176.54 179.42 1jjx h ASN 34 N 0.73 0.39 0.80 0.19 2.35 -1.04 -3.36 115.58 115.65 1jjx h ASN 34 Ca 0.58 -0.39 -0.16 0.00 -0.55 0.00 0.00 56.30 55.78 1jjx h ASN 34 Cb 0.95 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 1jjx h ASN 34 CO -0.38 0.69 -0.75 -0.37 -1.65 0.00 0.00 177.43 174.97 1jjx h VAL 35 N 0.09 1.50 -3.94 2.81 -1.51 -1.14 -3.47 116.25 110.59 1jjx h VAL 35 Ca 0.05 -2.60 -0.46 0.00 -1.23 0.00 0.00 66.70 62.45 1jjx h VAL 35 Cb 0.53 2.41 -0.02 0.00 -2.13 0.00 0.00 31.29 32.09 1jjx h VAL 35 CO 0.02 0.73 0.35 0.28 -1.23 0.00 0.00 177.57 177.73 1jjx s THR 36 N -3.24 4.21 -0.60 7.19 -1.32 -0.60 -5.06 115.64 116.22 1jjx s THR 36 Ca -0.00 1.70 -0.18 0.00 -1.21 0.00 0.00 61.69 61.99 1jjx s THR 36 Cb 0.11 -3.88 0.12 0.00 -1.51 0.00 0.00 72.50 67.34 1jjx s THR 36 CO 0.78 0.02 0.68 -0.75 -2.21 0.00 0.00 174.62 173.13 1jjx s LYS 37 N -2.37 3.07 0.05 7.08 2.20 -1.26 -4.96 119.74 123.54 1jjx s LYS 37 Ca 0.54 -1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.38 1jjx s LYS 37 Cb -0.17 -4.30 -0.04 0.00 -1.51 0.00 0.00 37.83 31.81 1jjx s LYS 37 CO 0.21 -1.49 1.04 -1.25 -0.36 0.00 0.00 175.35 173.50 1jjx s PRO 38 N 2.34 4.55 -0.41 4.03 0.04 -1.26 -4.85 135.00 139.44 1jjx s PRO 38 Ca 0.10 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 1jjx s PRO 38 Cb -0.24 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 30.91 1jjx s PRO 38 CO 0.04 -0.05 0.39 0.99 0.04 0.00 0.00 177.00 178.41 1jjx s THR 39 N 0.75 5.15 -0.66 1.26 2.01 0.13 -3.44 115.64 120.84 1jjx s THR 39 Ca 0.53 -0.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 1jjx s THR 39 Cb -0.24 -3.98 0.14 0.00 0.01 0.00 0.00 72.50 68.43 1jjx s THR 39 CO 0.29 -0.35 0.68 -0.69 -0.69 0.00 0.00 174.62 173.87 1jjx s VAL 40 N 1.99 5.13 -0.50 3.82 1.01 0.27 -1.38 120.40 130.74 1jjx s VAL 40 Ca 0.10 -1.56 -0.18 0.00 0.00 0.00 0.00 61.98 60.34 1jjx s VAL 40 Cb -0.17 -4.46 0.06 0.00 0.00 0.00 0.00 36.38 31.81 1jjx s VAL 40 CO 0.12 -1.05 0.58 -0.63 0.00 0.00 0.00 175.10 174.13 1jjx s ILE 41 N 1.73 4.94 -0.22 2.22 1.01 -0.04 -1.43 121.20 129.41 1jjx s ILE 41 Ca 0.12 -0.58 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 1jjx s ILE 41 Cb -0.21 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 1jjx s ILE 41 CO 0.00 -0.76 0.46 -0.63 0.00 0.00 0.00 174.94 174.02 1jjx s ILE 42 N 2.45 5.13 -0.01 2.92 1.01 -0.61 -1.00 121.20 131.10 1jjx s ILE 42 Ca 0.13 0.82 -0.09 0.00 0.00 0.00 0.00 60.65 61.51 1jjx s ILE 42 Cb -0.20 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1jjx s ILE 42 CO 0.11 0.18 0.19 -0.94 0.00 0.00 0.00 174.94 174.48 1jjx s SER 43 N 1.25 -0.05 -0.24 3.58 1.04 -0.91 -2.14 113.70 116.23 1jjx s SER 43 Ca 0.21 -0.08 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 1jjx s SER 43 Cb -0.15 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1jjx s SER 43 CO 0.09 -0.37 0.57 -1.10 0.98 0.00 0.00 173.24 173.40 1jjx s GLN 44 N -1.27 4.12 -0.76 4.02 -0.21 -1.26 -0.76 119.66 123.54 1jjx s GLN 44 Ca -0.13 0.45 -0.03 0.00 0.02 0.00 0.00 55.36 55.66 1jjx s GLN 44 Cb -0.07 -3.63 0.19 0.00 1.00 0.00 0.00 33.01 30.51 1jjx s GLN 44 CO 0.02 -0.32 0.61 -1.21 -2.12 0.00 0.00 175.29 172.28 1jjx s GLU 45 N 2.20 2.95 0.00 2.91 0.41 0.20 -4.91 118.70 122.46 1jjx s GLU 45 Ca 0.24 -2.88 0.00 0.00 -0.41 0.00 0.00 54.97 51.92 1jjx s GLU 45 Cb -0.16 -3.87 0.00 0.00 -1.78 0.00 0.00 34.13 28.32 1jjx s GLU 45 CO 0.09 -1.22 0.00 0.41 -0.49 0.00 0.00 175.26 174.05 1jjx n GLY 46 N 2.97 1.65 0.63 -1.39 0.00 -1.26 -3.54 105.19 104.25 1jjx n GLY 46 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1jjx n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jjx n ASP 47 N 3.31 1.00 -4.81 1.61 10.43 -1.26 -5.12 116.55 121.70 1jjx n ASP 47 Ca 0.00 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.03 1jjx n ASP 47 Cb 0.00 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 42.94 1jjx n ASP 47 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 1jjx s LYS 48 N -1.65 3.65 -0.19 -1.24 -2.85 -1.23 -4.86 119.74 111.37 1jjx s LYS 48 Ca 0.00 1.20 -0.19 0.00 -1.00 0.00 0.00 55.97 55.99 1jjx s LYS 48 Cb 0.00 -2.08 -0.03 0.00 -2.06 0.00 0.00 37.83 33.65 1jjx s LYS 48 CO 0.00 -0.53 0.52 0.08 0.10 0.00 0.00 175.35 175.52 1jjx s VAL 49 N -2.31 5.11 -0.31 1.79 1.01 0.57 -0.63 120.40 125.64 1jjx s VAL 49 Ca 0.64 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 1jjx s VAL 49 Cb -0.14 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1jjx s VAL 49 CO 0.29 0.20 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1jjx s VAL 50 N 1.48 3.42 -0.41 2.92 1.01 0.06 -1.67 120.40 127.21 1jjx s VAL 50 Ca 0.25 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1jjx s VAL 50 Cb -0.15 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.40 1jjx s VAL 50 CO 0.10 -0.07 0.25 -0.63 0.00 0.00 0.00 175.10 174.75 1jjx s ILE 51 N 1.35 4.34 -0.69 2.22 1.01 0.12 -2.14 121.20 127.40 1jjx s ILE 51 Ca -0.02 -1.26 -0.20 0.00 0.00 0.00 0.00 60.65 59.17 1jjx s ILE 51 Cb -0.19 -3.60 0.11 0.00 0.01 0.00 0.00 42.46 38.79 1jjx s ILE 51 CO 0.01 -0.45 0.87 -0.13 0.00 0.00 0.00 174.94 175.24 1jjx s ARG 52 N 1.46 3.21 -0.77 2.79 0.52 -0.17 -0.69 118.95 125.30 1jjx s ARG 52 Ca 0.03 -1.34 -0.23 0.00 -0.52 0.00 0.00 55.73 53.67 1jjx s ARG 52 Cb -0.22 -4.40 0.07 0.00 0.52 0.00 0.00 34.95 30.92 1jjx s ARG 52 CO 0.03 -1.66 1.12 0.99 0.02 0.00 0.00 175.30 175.80 1jjx s THR 53 N 2.94 4.22 -0.16 0.02 2.01 -0.13 -0.86 115.64 123.67 1jjx s THR 53 Ca 0.19 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1jjx s THR 53 Cb -0.17 -4.80 -0.02 0.00 0.01 0.00 0.00 72.50 67.52 1jjx s THR 53 CO 0.03 -1.61 -0.08 -0.76 -0.69 0.00 0.00 174.62 171.51 1jjx s LEU 54 N 4.29 2.93 0.29 4.42 1.43 -0.48 -1.59 118.68 129.98 1jjx s LEU 54 Ca 0.30 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1jjx s LEU 54 Cb -0.11 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 1jjx s LEU 54 CO 0.05 0.12 -0.08 -0.44 0.23 0.00 0.00 176.35 176.23 1jjx s SER 55 N 0.63 3.08 -0.64 2.29 0.01 -0.37 -0.69 113.70 118.00 1jjx s SER 55 Ca -0.05 -1.17 -0.06 0.00 1.31 0.00 0.00 55.95 55.98 1jjx s SER 55 Cb -0.15 -0.23 -0.13 0.00 0.21 0.00 0.00 66.02 65.73 1jjx s SER 55 CO 0.03 -0.27 2.62 0.35 0.41 0.00 0.00 173.24 176.37 1jjx n THR 56 N -0.63 2.73 0.00 1.44 -2.24 -1.26 -2.70 114.28 111.61 1jjx n THR 56 Ca -0.05 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 1jjx n THR 56 Cb 0.63 -2.11 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 1jjx n THR 56 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jjx n PHE 57 N 3.34 0.00 -3.74 4.78 3.72 -1.26 -5.15 117.46 119.14 1jjx n PHE 57 Ca 0.46 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.69 1jjx n PHE 57 Cb 0.41 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.78 1jjx n PHE 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1jjx s LYS 58 N 0.00 -0.05 -0.49 -1.08 -0.14 -1.10 -5.12 119.74 111.76 1jjx s LYS 58 Ca 0.00 0.25 -0.11 0.00 -1.36 0.00 0.00 55.97 54.74 1jjx s LYS 58 Cb 0.00 -0.32 0.12 0.00 -1.68 0.00 0.00 37.83 35.95 1jjx s LYS 58 CO 0.00 -0.21 0.39 1.21 -0.76 0.00 0.00 175.35 175.97 1jjx s ASN 59 N 1.38 5.84 -0.58 2.83 3.84 -1.26 -1.24 114.94 125.75 1jjx s ASN 59 Ca -0.05 -1.87 -0.01 0.00 0.21 0.00 0.00 52.86 51.14 1jjx s ASN 59 Cb -0.13 -2.07 0.15 0.00 -0.55 0.00 0.00 41.25 38.65 1jjx s ASN 59 CO -0.03 -0.74 0.37 0.42 -2.79 0.00 0.00 177.10 174.33 1jjx s THR 60 N 1.43 3.40 -0.18 -5.21 -4.23 -0.62 -5.02 115.64 105.20 1jjx s THR 60 Ca 0.05 -2.94 -0.15 0.00 -1.18 0.00 0.00 61.69 57.47 1jjx s THR 60 Cb -0.27 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 1jjx s THR 60 CO 0.00 -0.84 0.38 -1.83 -0.54 0.00 0.00 174.62 171.79 1jjx s GLU 61 N 0.02 4.21 -0.45 3.99 -1.05 -1.26 -0.96 118.70 123.21 1jjx s GLU 61 Ca 0.16 0.19 -0.02 0.00 -0.15 0.00 0.00 54.97 55.15 1jjx s GLU 61 Cb -0.22 -3.50 0.12 0.00 -0.44 0.00 0.00 34.13 30.09 1jjx s GLU 61 CO -0.03 0.05 0.24 0.42 0.95 0.00 0.00 175.26 176.89 1jjx s ILE 62 N 1.03 3.24 -0.31 1.83 1.01 0.14 -4.95 121.20 123.19 1jjx s ILE 62 Ca 0.19 -2.30 -0.11 0.00 0.00 0.00 0.00 60.65 58.43 1jjx s ILE 62 Cb -0.14 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1jjx s ILE 62 CO 0.07 -0.72 0.18 -0.94 0.00 0.00 0.00 174.94 173.52 1jjx s SER 63 N 1.45 5.72 -0.03 3.58 1.04 -1.26 -0.70 113.70 123.49 1jjx s SER 63 Ca 0.10 -0.41 -0.18 0.00 0.48 0.00 0.00 55.95 55.95 1jjx s SER 63 Cb -0.22 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 63.88 1jjx s SER 63 CO -0.04 -0.18 0.38 0.72 0.98 0.00 0.00 173.24 175.10 1jjx s PHE 64 N 1.66 -0.28 0.31 5.02 -0.71 -0.67 -4.99 117.98 118.33 1jjx s PHE 64 Ca 0.05 0.46 -0.13 0.00 -1.04 0.00 0.00 56.93 56.28 1jjx s PHE 64 Cb -0.17 0.15 -0.08 0.00 -1.21 0.00 0.00 43.02 41.71 1jjx s PHE 64 CO 0.08 -0.42 0.69 -0.65 -1.34 0.00 0.00 175.22 173.58 1jjx s GLN 65 N -1.21 3.92 0.03 1.99 -0.21 -1.26 -0.31 119.66 122.61 1jjx s GLN 65 Ca -0.12 0.53 -0.30 0.00 0.02 0.00 0.00 55.36 55.49 1jjx s GLN 65 Cb -0.04 -2.48 -0.08 0.00 1.00 0.00 0.00 33.01 31.40 1jjx s GLN 65 CO 0.05 0.17 1.85 -0.51 -2.12 0.00 0.00 175.29 174.73 1jjx s LEU 66 N -3.06 4.40 0.00 2.90 1.43 -1.26 -1.16 118.68 121.93 1jjx s LEU 66 Ca 0.52 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.19 1jjx s LEU 66 Cb -0.10 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1jjx s LEU 66 CO 0.20 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1jjx n GLY 67 N 4.35 1.81 3.68 -3.19 0.00 -0.35 -5.01 105.19 106.49 1jjx n GLY 67 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.39 4.38 -0.06 1.61 -6.30 -0.31 -4.85 118.70 112.78 1jjx s GLU 68 Ca 0.00 1.23 -0.25 0.00 -2.50 0.00 0.00 54.97 53.45 1jjx s GLU 68 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 34.13 30.55 1jjx s GLU 68 CO 0.00 -0.29 0.80 -2.00 0.02 0.00 0.00 175.26 173.79 1jjx s GLU 69 N 1.96 4.45 0.12 4.30 2.12 -1.26 -4.32 118.70 126.07 1jjx s GLU 69 Ca 0.44 1.05 0.06 0.00 0.36 0.00 0.00 54.97 56.88 1jjx s GLU 69 Cb -0.18 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 1jjx s GLU 69 CO 0.16 -0.02 -0.14 -0.59 -0.54 0.00 0.00 175.26 174.13 1jjx s PHE 70 N 1.05 1.37 0.10 5.30 -0.71 -0.06 -4.90 117.98 120.12 1jjx s PHE 70 Ca 0.42 -0.56 -0.28 0.00 -1.04 0.00 0.00 56.93 55.46 1jjx s PHE 70 Cb -0.18 -0.72 -0.06 0.00 -1.21 0.00 0.00 43.02 40.85 1jjx s PHE 70 CO 0.20 0.13 0.90 -0.51 -1.34 0.00 0.00 175.22 174.59 1jjx s ASP 71 N -2.42 7.42 -0.26 1.98 1.01 -1.26 -0.37 116.67 122.76 1jjx s ASP 71 Ca 0.08 1.69 0.00 0.00 0.71 0.00 0.00 52.55 55.04 1jjx s ASP 71 Cb -0.05 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.40 1jjx s ASP 71 CO 0.03 -0.02 0.00 -0.70 0.21 0.00 0.00 175.17 174.69 1jjx s GLU 72 N -0.11 1.26 -0.72 8.23 2.12 -0.89 -4.94 118.70 123.66 1jjx s GLU 72 Ca 0.44 -1.02 -0.27 0.00 0.36 0.00 0.00 54.97 54.47 1jjx s GLU 72 Cb -0.23 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.73 1jjx s GLU 72 CO 0.28 -0.73 1.27 0.99 -0.54 0.00 0.00 175.26 176.53 1jjx s THR 73 N 1.46 3.76 0.66 -1.70 2.01 -1.26 -1.87 115.64 118.69 1jjx s THR 73 Ca 0.00 0.47 -0.07 0.00 0.31 0.00 0.00 61.69 62.40 1jjx s THR 73 Cb -0.18 -4.89 0.03 0.00 0.01 0.00 0.00 72.50 67.47 1jjx s THR 73 CO -0.11 -1.79 0.98 0.42 -0.69 0.00 0.00 174.62 173.43 1jjx s THR 74 N 5.65 3.03 -0.31 -0.82 -4.23 -0.86 -4.91 115.64 113.18 1jjx s THR 74 Ca 0.36 -0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.99 1jjx s THR 74 Cb -0.08 -3.26 0.18 0.00 1.34 0.00 0.00 72.50 70.68 1jjx s THR 74 CO 0.16 -0.28 1.53 0.00 -0.54 0.00 0.00 174.62 175.49 1jjx n ALA 75 N -2.79 1.01 0.53 3.99 0.00 -1.26 -1.11 120.51 120.88 1jjx n ALA 75 Ca 0.06 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.78 1jjx n ALA 75 Cb 0.59 -1.23 0.45 0.00 0.00 0.00 0.00 19.45 19.26 1jjx n ALA 75 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jjx n ASP 76 N -2.12 0.54 -2.36 0.00 4.64 -1.26 -4.79 116.55 111.19 1jjx n ASP 76 Ca -0.01 0.60 -0.00 0.00 -1.38 0.00 0.00 54.79 54.00 1jjx n ASP 76 Cb 0.05 -0.73 0.00 0.00 -1.04 0.00 0.00 41.12 39.40 1jjx n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1jjx n ASP 77 N -2.06 -5.19 -3.64 1.67 2.03 -0.26 -4.82 116.55 104.29 1jjx n ASP 77 Ca 0.04 -0.05 -0.05 0.00 0.52 0.00 0.00 54.79 55.25 1jjx n ASP 77 Cb 0.28 -3.38 -0.06 0.00 -0.72 0.00 0.00 41.12 37.24 1jjx n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jjx s ARG 78 N -3.02 0.65 -0.96 -0.67 1.70 -1.26 -4.97 118.95 110.42 1jjx s ARG 78 Ca 0.01 1.23 -0.20 0.00 -0.47 0.00 0.00 55.73 56.29 1jjx s ARG 78 Cb -0.00 0.30 0.10 0.00 -0.57 0.00 0.00 34.95 34.78 1jjx s ARG 78 CO 0.41 -0.15 1.24 0.54 -1.08 0.00 0.00 175.30 176.26 1jjx s ASN 79 N 1.90 6.58 -0.04 -2.89 4.22 -1.26 -2.04 114.94 121.41 1jjx s ASN 79 Ca -0.09 -1.82 -0.28 0.00 -2.14 0.00 0.00 52.86 48.53 1jjx s ASN 79 Cb -0.06 -2.46 -0.03 0.00 1.28 0.00 0.00 41.25 39.98 1jjx s ASN 79 CO -0.19 -1.23 0.91 0.00 -2.04 0.00 0.00 177.10 174.54 1jjx s LYS 81 N 1.14 2.81 -0.20 0.00 -0.14 0.19 -2.09 119.74 121.44 1jjx s LYS 81 Ca 0.47 0.11 -0.04 0.00 -1.36 0.00 0.00 55.97 55.15 1jjx s LYS 81 Cb -0.20 -4.56 -0.02 0.00 -1.68 0.00 0.00 37.83 31.37 1jjx s LYS 81 CO 0.24 -2.70 -0.02 -1.12 -0.76 0.00 0.00 175.35 170.98 1jjx s SER 82 N 6.93 4.62 -0.06 2.83 0.01 0.50 -2.23 113.70 126.30 1jjx s SER 82 Ca 0.59 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.64 1jjx s SER 82 Cb -0.09 -1.78 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1jjx s SER 82 CO 0.13 0.05 -0.23 0.54 0.41 0.00 0.00 173.24 174.14 1jjx s VAL 83 N 1.07 1.88 -0.13 3.43 0.11 -0.73 -0.88 120.40 125.14 1jjx s VAL 83 Ca 0.02 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 1jjx s VAL 83 Cb -0.14 -1.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.12 1jjx s VAL 83 CO 0.01 0.52 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.44 1jjx s VAL 84 N -0.04 1.68 0.04 2.04 1.01 -1.26 -1.30 120.40 122.57 1jjx s VAL 84 Ca -0.05 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1jjx s VAL 84 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1jjx s VAL 84 CO 0.04 0.48 -0.12 -0.44 0.00 0.00 0.00 175.10 175.05 1jjx s SER 85 N 1.10 1.42 -0.41 3.32 0.01 -0.88 -1.21 113.70 117.06 1jjx s SER 85 Ca -0.03 -0.46 -0.25 0.00 1.31 0.00 0.00 55.95 56.52 1jjx s SER 85 Cb -0.14 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1jjx s SER 85 CO -0.05 -0.02 0.91 -0.76 0.41 0.00 0.00 173.24 173.73 1jjx s LEU 86 N -1.19 4.02 -0.98 2.44 1.43 -1.26 -1.29 118.68 121.84 1jjx s LEU 86 Ca -0.01 0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1jjx s LEU 86 Cb -0.08 -3.20 0.26 0.00 0.03 0.00 0.00 46.19 43.20 1jjx s LEU 86 CO 0.01 -0.92 1.05 -0.67 0.23 0.00 0.00 176.35 176.05 1jjx n ASP 87 N 6.89 5.07 -2.82 2.29 2.03 0.29 -4.82 116.55 125.49 1jjx n ASP 87 Ca 0.06 -3.21 -0.09 0.00 0.52 0.00 0.00 54.79 52.07 1jjx n ASP 87 Cb 0.48 -1.15 0.04 0.00 -0.72 0.00 0.00 41.12 39.77 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 2.00 -0.75 3.90 0.27 0.00 -1.26 -3.36 105.19 105.99 1jjx n GLY 88 Ca 0.24 0.37 -0.28 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.59 -3.34 -3.69 1.61 2.03 -1.26 -5.04 116.55 104.27 1jjx n ASP 89 Ca -0.04 -0.83 -0.26 0.00 0.52 0.00 0.00 54.79 54.18 1jjx n ASP 89 Cb 0.57 -3.74 -0.17 0.00 -0.72 0.00 0.00 41.12 37.06 1jjx n ASP 89 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1jjx s LYS 90 N -6.49 0.37 -1.08 -0.67 1.02 -1.21 -4.00 119.74 107.68 1jjx s LYS 90 Ca 0.45 -0.15 -0.20 0.00 0.02 0.00 0.00 55.97 56.08 1jjx s LYS 90 Cb -0.23 -1.70 0.08 0.00 -0.52 0.00 0.00 37.83 35.47 1jjx s LYS 90 CO 0.84 -0.57 1.45 -0.51 -0.92 0.00 0.00 175.35 175.64 1jjx s LEU 91 N 2.00 4.00 -0.50 3.17 1.43 0.76 -0.54 118.68 129.01 1jjx s LEU 91 Ca 0.02 -1.91 -0.23 0.00 -1.03 0.00 0.00 54.13 50.97 1jjx s LEU 91 Cb -0.16 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1jjx s LEU 91 CO -0.07 -1.29 0.85 -0.69 0.23 0.00 0.00 176.35 175.38 1jjx s VAL 92 N 4.09 4.54 0.09 -1.59 1.01 -0.42 -2.67 120.40 125.46 1jjx s VAL 92 Ca 0.45 0.33 -0.25 0.00 0.00 0.00 0.00 61.98 62.51 1jjx s VAL 92 Cb -0.00 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 1jjx s VAL 92 CO -0.05 -0.90 0.76 -2.28 0.00 0.00 0.00 175.10 172.63 1jjx s HIS 93 N 3.56 3.80 -0.20 5.22 2.46 -0.72 -2.08 115.29 127.33 1jjx s HIS 93 Ca 0.30 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.36 1jjx s HIS 93 Cb -0.13 -2.79 0.05 0.00 -0.13 0.00 0.00 32.58 29.58 1jjx s HIS 93 CO 0.21 0.37 -0.06 0.42 -2.47 0.00 0.00 174.74 173.21 1jjx s ILE 94 N -0.49 1.38 -0.26 0.89 1.01 -0.42 -0.53 121.20 122.78 1jjx s ILE 94 Ca 0.37 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 1jjx s ILE 94 Cb -0.21 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1jjx s ILE 94 CO 0.24 0.04 0.15 -1.10 0.00 0.00 0.00 174.94 174.27 1jjx s GLN 95 N 1.49 3.89 -0.14 2.79 -0.21 -0.16 -1.77 119.66 125.55 1jjx s GLN 95 Ca -0.02 -0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.01 1jjx s GLN 95 Cb -0.17 -3.54 -0.00 0.00 1.00 0.00 0.00 33.01 30.30 1jjx s GLN 95 CO -0.07 -0.13 -0.17 0.15 -2.12 0.00 0.00 175.29 172.95 1jjx s LYS 96 N 1.57 3.21 -0.18 2.91 1.02 -0.95 -2.25 119.74 125.07 1jjx s LYS 96 Ca 0.07 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.17 1jjx s LYS 96 Cb -0.15 -2.57 0.06 0.00 -0.52 0.00 0.00 37.83 34.64 1jjx s LYS 96 CO 0.08 0.06 0.46 1.67 -0.92 0.00 0.00 175.35 176.70 1jjx s TRP 97 N 0.68 -0.62 -2.01 3.18 -2.14 -0.68 -0.63 118.94 116.72 1jjx s TRP 97 Ca -0.08 1.37 0.00 0.00 2.66 0.00 0.00 56.10 60.05 1jjx s TRP 97 Cb -0.16 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.49 1jjx s TRP 97 CO 0.02 -0.33 0.00 -0.25 -2.66 0.00 0.00 176.95 173.73 1jjx n ASP 98 N 3.78 -5.47 0.00 -2.66 9.92 -1.26 -0.57 116.55 120.29 1jjx n ASP 98 Ca -0.20 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 1jjx n ASP 98 Cb 0.56 -4.74 0.00 0.00 -0.64 0.00 0.00 41.12 36.30 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 -0.59 0.57 3.30 0.44 0.00 -1.26 -5.10 105.19 102.55 1jjx n GLY 99 Ca -0.21 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.24 1.87 -0.09 1.61 3.01 0.27 -5.14 119.74 121.02 1jjx s LYS 100 Ca 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 55.97 54.01 1jjx s LYS 100 Cb 0.00 -1.90 0.02 0.00 -1.01 0.00 0.00 37.83 34.95 1jjx s LYS 100 CO 0.00 0.51 -0.07 -2.00 0.51 0.00 0.00 175.35 174.30 1jjx s GLU 101 N -0.83 1.38 -0.03 1.68 2.12 -1.26 -1.69 118.70 120.07 1jjx s GLU 101 Ca 0.10 -0.22 0.06 0.00 0.36 0.00 0.00 54.97 55.26 1jjx s GLU 101 Cb -0.10 -1.40 -0.02 0.00 0.26 0.00 0.00 34.13 32.87 1jjx s GLU 101 CO 0.00 -0.20 -0.19 -0.08 -0.54 0.00 0.00 175.26 174.25 1jjx s THR 102 N 1.47 2.63 -0.00 -1.70 -1.32 -0.95 -4.42 115.64 111.34 1jjx s THR 102 Ca -0.00 -0.92 0.04 0.00 -1.21 0.00 0.00 61.69 59.60 1jjx s THR 102 Cb -0.13 -1.99 -0.01 0.00 -1.51 0.00 0.00 72.50 68.86 1jjx s THR 102 CO -0.05 0.57 -0.12 0.20 -2.21 0.00 0.00 174.62 173.01 1jjx s ASN 103 N -0.73 1.36 -0.30 8.08 0.01 -0.33 -0.99 114.94 122.04 1jjx s ASN 103 Ca 0.11 -0.23 -0.01 0.00 -0.71 0.00 0.00 52.86 52.02 1jjx s ASN 103 Cb -0.10 -0.14 0.10 0.00 0.41 0.00 0.00 41.25 41.51 1jjx s ASN 103 CO 0.00 0.13 0.08 -0.36 -1.51 0.00 0.00 177.10 175.44 1jjx s PHE 104 N -0.34 1.84 -0.69 2.20 0.40 0.31 -0.79 117.98 120.92 1jjx s PHE 104 Ca 0.04 -1.77 -0.19 0.00 -0.60 0.00 0.00 56.93 54.41 1jjx s PHE 104 Cb -0.05 -1.75 0.12 0.00 0.51 0.00 0.00 43.02 41.85 1jjx s PHE 104 CO -0.00 -0.86 0.82 0.08 0.70 0.00 0.00 175.22 175.96 1jjx s VAL 105 N 1.57 4.83 -0.47 -0.44 1.01 -0.09 -1.76 120.40 125.04 1jjx s VAL 105 Ca 0.08 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 1jjx s VAL 105 Cb -0.17 -4.56 0.03 0.00 0.00 0.00 0.00 36.38 31.68 1jjx s VAL 105 CO -0.22 -1.23 0.73 -0.13 0.00 0.00 0.00 175.10 174.25 1jjx s ARG 106 N 2.59 3.30 -0.06 2.72 0.52 -1.09 -1.47 118.95 125.46 1jjx s ARG 106 Ca 0.17 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1jjx s ARG 106 Cb -0.18 -3.99 -0.00 0.00 0.52 0.00 0.00 34.95 31.29 1jjx s ARG 106 CO 0.02 -1.16 -0.20 -1.83 0.02 0.00 0.00 175.30 172.16 1jjx s GLU 107 N 3.11 2.15 -0.56 3.54 -1.05 -0.93 -0.17 118.70 124.79 1jjx s GLU 107 Ca 0.25 -0.70 -0.28 0.00 -0.15 0.00 0.00 54.97 54.09 1jjx s GLU 107 Cb -0.14 -1.80 0.01 0.00 -0.44 0.00 0.00 34.13 31.76 1jjx s GLU 107 CO 0.19 0.25 1.49 0.42 0.95 0.00 0.00 175.26 178.56 1jjx s ILE 108 N 0.09 3.71 -0.83 1.83 -1.09 -1.26 -0.73 121.20 122.93 1jjx s ILE 108 Ca -0.07 0.60 -0.10 0.00 -2.23 0.00 0.00 60.65 58.85 1jjx s ILE 108 Cb -0.13 -4.34 0.21 0.00 -1.58 0.00 0.00 42.46 36.62 1jjx s ILE 108 CO 0.04 -1.11 0.74 -0.75 -1.23 0.00 0.00 174.94 172.63 1jjx s LYS 109 N 5.69 3.43 -1.14 2.79 2.47 0.35 -4.77 119.74 128.56 1jjx s LYS 109 Ca 0.55 -2.64 -0.18 0.00 -1.56 0.00 0.00 55.97 52.14 1jjx s LYS 109 Cb -0.12 -4.25 -0.02 0.00 -1.46 0.00 0.00 37.83 31.98 1jjx s LYS 109 CO 0.25 -1.26 0.80 -3.47 0.16 0.00 0.00 175.35 171.83 1jjx n ASP 110 N 3.57 -5.24 0.00 1.43 2.03 -1.26 -2.91 116.55 114.16 1jjx n ASP 110 Ca 0.14 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1jjx n ASP 110 Cb 0.43 -3.61 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 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 -1.63 2.72 3.80 0.27 0.00 -1.26 -5.07 105.19 104.02 1jjx n GLY 111 Ca -0.10 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 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 4.03 -0.60 1.61 1.02 -1.15 -4.67 119.74 119.98 1jjx s LYS 112 Ca 0.00 0.37 -0.26 0.00 0.02 0.00 0.00 55.97 56.10 1jjx s LYS 112 Cb 0.00 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 34.06 1jjx s LYS 112 CO 0.00 0.53 1.11 1.41 -0.92 0.00 0.00 175.35 177.48 1jjx s MET 113 N -0.56 3.37 -0.54 1.68 -2.45 -0.68 -0.49 119.30 119.63 1jjx s MET 113 Ca 0.23 -0.09 -0.19 0.00 -1.25 0.00 0.00 55.69 54.39 1jjx s MET 113 Cb -0.16 -4.07 0.07 0.00 1.25 0.00 0.00 34.83 31.92 1jjx s MET 113 CO 0.11 -1.71 0.68 0.08 1.05 0.00 0.00 175.02 175.23 1jjx s VAL 114 N 4.69 4.82 -0.43 10.11 1.01 0.09 -1.26 120.40 139.42 1jjx s VAL 114 Ca 0.36 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1jjx s VAL 114 Cb -0.10 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1jjx s VAL 114 CO 0.20 -0.95 0.58 -0.32 0.00 0.00 0.00 175.10 174.61 1jjx s MET 115 N 2.75 3.23 -0.38 2.72 0.00 -0.02 -2.20 119.30 125.40 1jjx s MET 115 Ca 0.15 -0.49 -0.16 0.00 0.00 0.00 0.00 55.69 55.18 1jjx s MET 115 Cb -0.20 -3.95 0.01 0.00 0.00 0.00 0.00 34.83 30.68 1jjx s MET 115 CO 0.10 -0.95 0.41 0.99 0.00 0.00 0.00 175.02 175.57 1jjx s THR 116 N 2.60 5.12 -0.52 10.11 2.01 -0.54 -0.78 115.64 133.64 1jjx s THR 116 Ca 0.19 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 1jjx s THR 116 Cb -0.15 -3.94 0.11 0.00 0.01 0.00 0.00 72.50 68.53 1jjx s THR 116 CO 0.17 -0.27 0.48 -0.76 -0.69 0.00 0.00 174.62 173.55 1jjx s LEU 117 N 2.09 5.94 -0.37 4.42 1.02 0.81 -0.92 118.68 131.69 1jjx s LEU 117 Ca 0.12 -1.60 -0.13 0.00 0.02 0.00 0.00 54.13 52.54 1jjx s LEU 117 Cb -0.17 -2.21 0.00 0.00 0.02 0.00 0.00 46.19 43.83 1jjx s LEU 117 CO 0.13 -0.80 0.25 0.28 0.02 0.00 0.00 176.35 176.22 1jjx s THR 118 N 1.69 5.09 -1.15 5.49 -1.32 0.03 -1.55 115.64 123.92 1jjx s THR 118 Ca 0.04 -0.48 -0.10 0.00 -1.21 0.00 0.00 61.69 59.94 1jjx s THR 118 Cb -0.28 -3.72 0.24 0.00 -1.51 0.00 0.00 72.50 67.24 1jjx s THR 118 CO 0.05 -0.14 1.29 0.33 -2.21 0.00 0.00 174.62 173.94 1jjx n PHE 119 N 5.09 4.79 0.00 9.09 7.35 -0.74 -1.18 117.46 141.86 1jjx n PHE 119 Ca -0.12 -3.56 0.00 0.00 -0.76 0.00 0.00 57.45 53.01 1jjx n PHE 119 Cb 0.48 -1.83 0.00 0.00 0.35 0.00 0.00 39.48 38.48 1jjx n PHE 119 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jjx n GLY 120 N 2.99 3.23 0.25 7.13 0.00 -1.26 -2.59 105.19 114.93 1jjx n GLY 120 Ca 0.29 0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.69 1jjx n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jjx h ASP 121 N 0.00 0.00 -3.16 1.61 5.19 -2.00 -3.43 116.42 114.64 1jjx h ASP 121 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 1jjx h ASP 121 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 1jjx h ASP 121 CO 0.00 0.00 0.67 -0.69 -3.12 0.00 0.00 179.24 176.10 1jjx s VAL 122 N -3.50 4.28 -0.29 -1.35 1.01 -1.07 -5.01 120.40 114.47 1jjx s VAL 122 Ca 0.03 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 1jjx s VAL 122 Cb 0.08 -4.60 0.05 0.00 0.00 0.00 0.00 36.38 31.91 1jjx s VAL 122 CO 0.57 -1.20 -0.03 -0.69 0.00 0.00 0.00 175.10 173.75 1jjx s VAL 123 N 4.24 2.83 0.24 2.92 1.01 -1.26 -1.80 120.40 128.58 1jjx s VAL 123 Ca 0.33 -1.38 0.04 0.00 0.00 0.00 0.00 61.98 60.97 1jjx s VAL 123 Cb -0.11 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1jjx s VAL 123 CO 0.20 -0.05 0.37 0.00 0.00 0.00 0.00 175.10 175.62 1jjx s ALA 124 N 1.24 3.91 -0.19 5.51 0.00 -0.60 -4.85 121.76 126.79 1jjx s ALA 124 Ca -0.05 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1jjx s ALA 124 Cb -0.19 -1.77 0.06 0.00 0.00 0.00 0.00 23.12 21.21 1jjx s ALA 124 CO -0.02 0.26 0.00 0.08 0.00 0.00 0.00 175.76 176.08 1jjx s VAL 125 N -1.97 0.79 -0.26 0.00 1.01 -0.16 -0.13 120.40 119.68 1jjx s VAL 125 Ca 0.35 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1jjx s VAL 125 Cb -0.09 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1jjx s VAL 125 CO 0.30 -0.11 0.14 -0.13 0.00 0.00 0.00 175.10 175.29 1jjx s ARG 126 N 1.75 3.87 -0.38 2.72 0.52 0.04 -0.82 118.95 126.65 1jjx s ARG 126 Ca -0.01 -0.36 -0.13 0.00 -0.52 0.00 0.00 55.73 54.70 1jjx s ARG 126 Cb -0.17 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.81 1jjx s ARG 126 CO -0.07 -0.12 0.26 -1.01 0.02 0.00 0.00 175.30 174.37 1jjx s HIS 127 N 1.54 3.24 -0.16 -0.53 3.76 -0.35 -0.84 115.29 121.95 1jjx s HIS 127 Ca 0.07 -0.65 -0.05 0.00 -0.15 0.00 0.00 55.06 54.28 1jjx s HIS 127 Cb -0.15 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 30.99 1jjx s HIS 127 CO 0.07 -0.57 -0.01 0.71 -0.85 0.00 0.00 174.74 174.10 1jjx s TYR 128 N 1.64 3.09 0.16 1.40 2.02 -0.39 -0.37 117.35 124.90 1jjx s TYR 128 Ca 0.04 -0.18 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1jjx s TYR 128 Cb -0.19 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.34 1jjx s TYR 128 CO 0.09 0.03 0.34 -1.21 -1.57 0.00 0.00 175.55 173.23 1jjx s GLU 129 N 0.34 3.52 0.00 -0.62 0.41 -0.47 -1.68 118.70 120.20 1jjx s GLU 129 Ca -0.02 -0.34 -0.30 0.00 -0.41 0.00 0.00 54.97 53.90 1jjx s GLU 129 Cb -0.14 -2.89 -0.04 0.00 -1.78 0.00 0.00 34.13 29.28 1jjx s GLU 129 CO 0.02 0.47 1.17 0.15 -0.49 0.00 0.00 175.26 176.58 1jjx s LYS 130 N -3.01 4.41 0.00 1.61 1.02 -1.26 -0.97 119.74 121.54 1jjx s LYS 130 Ca 0.38 1.68 0.19 0.00 0.02 0.00 0.00 55.97 58.24 1jjx s LYS 130 Cb -0.12 -3.45 0.15 0.00 -0.52 0.00 0.00 37.83 33.89 1jjx s LYS 130 CO 0.28 -0.31 1.09 0.00 -0.92 0.00 0.00 175.35 175.49