#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 -0.19 -0.02 7.34 5.08 -2.02 -1.97 114.58 122.80 1jjx h GLU 2 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1jjx h GLU 2 Cb 0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1jjx h GLU 2 CO 0.00 0.17 0.03 0.00 -1.00 0.00 0.00 179.01 178.21 1jjx h ALA 3 N 0.16 1.46 0.00 3.43 0.00 -2.04 -2.98 119.26 119.29 1jjx h ALA 3 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jjx h ALA 3 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jjx h ALA 3 CO 0.03 -0.04 -0.40 1.19 0.00 0.00 0.00 179.25 180.04 1jjx n PHE 4 N -3.69 0.45 -2.52 0.00 3.72 -1.05 -4.91 117.46 109.45 1jjx n PHE 4 Ca -0.02 0.13 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 1jjx n PHE 4 Cb 0.11 -0.61 -0.03 0.00 -0.94 0.00 0.00 39.48 38.01 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 5.70 -1.87 -0.26 0.00 0.00 -0.84 -4.99 121.76 119.51 1jjx s ALA 6 Ca 0.40 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 1jjx s ALA 6 Cb -0.06 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1jjx s ALA 6 CO 0.07 -0.80 1.00 0.99 0.00 0.00 0.00 175.76 177.02 1jjx s THR 7 N -2.96 4.67 -0.35 0.00 2.01 -1.26 -1.17 115.64 116.57 1jjx s THR 7 Ca 0.09 1.85 -0.05 0.00 0.31 0.00 0.00 61.69 63.89 1jjx s THR 7 Cb -0.00 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.27 1jjx s THR 7 CO -0.05 -0.24 0.11 0.26 -0.69 0.00 0.00 174.62 174.01 1jjx s TRP 8 N 3.24 3.33 -0.12 4.92 0.52 -0.20 -0.27 118.94 130.36 1jjx s TRP 8 Ca 0.42 -1.77 -0.18 0.00 0.02 0.00 0.00 56.10 54.59 1jjx s TRP 8 Cb -0.14 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1jjx s TRP 8 CO 0.09 -0.81 0.48 0.15 0.02 0.00 0.00 176.95 176.88 1jjx s LYS 9 N 1.31 4.34 0.19 4.98 1.02 -0.12 -0.52 119.74 130.93 1jjx s LYS 9 Ca -0.00 0.46 -0.30 0.00 0.02 0.00 0.00 55.97 56.14 1jjx s LYS 9 Cb -0.21 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.57 1jjx s LYS 9 CO 0.00 0.14 1.35 -1.17 -0.92 0.00 0.00 175.35 174.75 1jjx s LEU 10 N 0.67 4.40 -0.11 3.17 1.98 -1.07 -1.51 118.68 126.22 1jjx s LEU 10 Ca 0.26 2.43 0.05 0.00 -2.89 0.00 0.00 54.13 53.98 1jjx s LEU 10 Cb -0.15 -3.61 -0.10 0.00 0.66 0.00 0.00 46.19 42.99 1jjx s LEU 10 CO 0.10 -0.58 -0.03 0.35 -1.89 0.00 0.00 176.35 174.30 1jjx n THR 11 N 2.84 0.70 -3.33 3.68 -2.24 0.42 -4.89 114.28 111.46 1jjx n THR 11 Ca 0.07 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 1jjx n THR 11 Cb 0.42 -0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 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 -4.69 -0.81 -0.74 3.42 2.47 -1.22 -5.00 114.94 108.37 1jjx s ASN 12 Ca -0.11 0.82 -0.11 0.00 0.42 0.00 0.00 52.86 53.89 1jjx s ASN 12 Cb 0.04 1.83 0.19 0.00 -1.45 0.00 0.00 41.25 41.86 1jjx s ASN 12 CO 0.35 -0.26 0.64 -0.94 -3.72 0.00 0.00 177.10 173.17 1jjx s SER 13 N 2.76 6.23 -0.10 -4.21 1.04 -1.26 -1.24 113.70 116.92 1jjx s SER 13 Ca 0.13 -2.67 -0.29 0.00 0.48 0.00 0.00 55.95 53.59 1jjx s SER 13 Cb -0.14 -2.09 -0.01 0.00 0.10 0.00 0.00 66.02 63.87 1jjx s SER 13 CO -0.18 -0.53 0.99 -1.10 0.98 0.00 0.00 173.24 173.40 1jjx s GLN 14 N 0.20 4.43 -1.97 4.02 -0.21 -0.10 -4.04 119.66 121.99 1jjx s GLN 14 Ca 0.16 1.37 0.00 0.00 0.02 0.00 0.00 55.36 56.92 1jjx s GLN 14 Cb -0.15 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.33 1jjx s GLN 14 CO -0.06 -0.29 0.00 -1.71 -2.12 0.00 0.00 175.29 171.11 1jjx n ASN 15 N 4.91 -5.31 0.05 5.90 5.15 -1.26 -1.43 115.26 123.26 1jjx n ASN 15 Ca 0.08 0.41 -0.09 0.00 -0.60 0.00 0.00 54.58 54.38 1jjx n ASN 15 Cb 0.49 -4.47 0.05 0.00 -0.53 0.00 0.00 39.78 35.32 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 0.49 0.22 1.20 3.57 -1.92 -1.81 116.94 118.69 1jjx h PHE 16 Ca -0.40 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 60.90 1jjx h PHE 16 Cb 1.25 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1jjx h PHE 16 CO 0.53 0.94 -0.34 0.22 -2.23 0.00 0.00 178.31 177.43 1jjx h ASP 17 N 0.26 -0.95 -0.11 0.41 3.58 -1.92 -1.24 116.42 116.44 1jjx h ASP 17 Ca -0.02 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1jjx h ASP 17 Cb 1.24 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 42.62 1jjx h ASP 17 CO 0.11 -0.45 0.04 -0.33 -2.88 0.00 0.00 179.24 175.73 1jjx h GLU 18 N -0.63 0.24 0.13 0.28 3.07 -1.98 -2.21 114.58 113.47 1jjx h GLU 18 Ca 0.01 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1jjx h GLU 18 Cb 0.62 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1jjx h GLU 18 CO -0.14 0.23 -0.06 -0.92 -1.40 0.00 0.00 179.01 176.72 1jjx h TYR 19 N 0.24 -0.16 -0.59 4.33 5.03 -1.29 -2.61 116.97 121.92 1jjx h TYR 19 Ca 0.06 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.39 1jjx h TYR 19 Cb 0.11 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.40 1jjx h TYR 19 CO 0.00 -0.03 0.36 0.52 -1.32 0.00 0.00 178.16 177.69 1jjx h MET 20 N -0.25 0.68 -0.86 1.82 2.86 -0.83 0.18 114.93 118.53 1jjx h MET 20 Ca -0.02 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1jjx h MET 20 Cb 0.20 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 1jjx h MET 20 CO 0.03 0.45 0.47 1.57 1.06 0.00 0.00 176.91 180.49 1jjx h LYS 21 N 0.70 1.20 -0.30 1.72 2.10 -1.55 -1.96 116.57 118.48 1jjx h LYS 21 Ca 0.24 -0.14 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 1jjx h LYS 21 Cb 0.03 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.11 1jjx h LYS 21 CO -0.10 0.89 0.13 0.00 -2.00 0.00 0.00 179.45 178.37 1jjx h ALA 22 N 1.25 0.39 0.00 0.07 0.00 -1.13 -3.24 119.26 116.60 1jjx h ALA 22 Ca 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jjx h ALA 22 Cb 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jjx h ALA 22 CO -0.05 -0.04 -0.07 1.25 0.00 0.00 0.00 179.25 180.35 1jjx h LEU 23 N 0.34 0.00 -0.67 0.00 5.85 -0.69 -3.48 115.31 116.66 1jjx h LEU 23 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1jjx h LEU 23 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1jjx h LEU 23 CO -0.01 0.07 0.00 0.61 -0.34 0.00 0.00 178.44 178.77 1jjx n GLY 24 N -1.22 0.48 3.67 3.75 0.00 -0.95 -5.09 105.19 105.83 1jjx n GLY 24 Ca -0.03 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1jjx n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jjx s VAL 25 N -1.68 4.21 0.00 1.61 -7.23 -0.78 -5.06 120.40 111.47 1jjx s VAL 25 Ca 0.00 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1jjx s VAL 25 Cb 0.00 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1jjx s VAL 25 CO 0.00 0.60 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 1jjx n GLY 26 N 2.14 -2.17 2.40 2.32 0.00 -1.26 -4.55 105.19 104.07 1jjx n GLY 26 Ca -0.18 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.14 2.64 0.01 1.61 7.35 -1.26 -3.85 117.46 121.82 1jjx n PHE 27 Ca 0.00 -3.06 0.00 0.00 -0.76 0.00 0.00 57.45 53.63 1jjx n PHE 27 Cb 0.00 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.37 1jjx n PHE 27 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jjx n ALA 28 N 3.92 1.79 -0.13 3.13 0.00 -1.26 -4.81 120.51 123.15 1jjx n ALA 28 Ca 0.73 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.22 1jjx n ALA 28 Cb 0.26 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.08 1jjx n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jjx h THR 29 N 0.00 1.07 -0.27 0.00 2.02 -1.90 -2.26 112.91 111.58 1jjx h THR 29 Ca 0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1jjx h THR 29 Cb 0.00 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1jjx h THR 29 CO 0.00 0.13 0.08 0.08 0.37 0.00 0.00 175.52 176.18 1jjx h ARG 30 N 0.72 0.37 -0.51 6.66 0.11 -1.89 -0.16 114.38 119.69 1jjx h ARG 30 Ca 0.25 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.29 1jjx h ARG 30 Cb 0.11 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1jjx h ARG 30 CO -0.07 0.34 0.00 1.04 0.10 0.00 0.00 179.97 181.38 1jjx n GLN 31 N -4.40 1.49 0.03 0.08 1.13 -0.87 -3.82 117.38 111.01 1jjx n GLN 31 Ca 0.01 -0.51 -0.01 0.00 -1.94 0.00 0.00 57.00 54.55 1jjx n GLN 31 Cb 0.15 -1.35 -0.00 0.00 0.11 0.00 0.00 30.24 29.14 1jjx n GLN 31 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1jjx n VAL 32 N -0.01 1.03 0.28 5.09 0.31 -0.83 -4.67 118.33 119.53 1jjx n VAL 32 Ca 0.05 0.33 0.15 0.00 -0.01 0.00 0.00 64.34 64.85 1jjx n VAL 32 Cb 0.26 -1.53 0.82 0.00 -0.91 0.00 0.00 33.84 32.47 1jjx n VAL 32 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1jjx h GLY 33 N -0.06 0.00 0.82 2.92 0.00 -1.25 -3.20 103.07 102.31 1jjx h GLY 33 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1jjx h GLY 33 CO 0.00 0.00 -1.84 3.43 0.00 0.00 0.00 176.54 178.13 1jjx h ASN 34 N 0.00 0.35 0.75 0.19 2.35 -1.80 -3.43 115.58 114.00 1jjx h ASN 34 Ca -0.00 -0.69 -0.25 0.00 -0.55 0.00 0.00 56.30 54.80 1jjx h ASN 34 Cb 0.27 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1jjx h ASN 34 CO 0.01 1.61 -1.18 -0.37 -1.65 0.00 0.00 177.43 175.85 1jjx h VAL 35 N 0.06 1.55 -0.76 2.81 -1.51 -1.81 -3.48 116.25 113.12 1jjx h VAL 35 Ca -0.36 -3.18 -0.55 0.00 -1.23 0.00 0.00 66.70 61.38 1jjx h VAL 35 Cb 2.04 2.90 -0.03 0.00 -2.13 0.00 0.00 31.29 34.06 1jjx h VAL 35 CO 0.11 0.92 -0.28 0.28 -1.23 0.00 0.00 177.57 177.36 1jjx s THR 36 N -2.67 1.89 -0.57 7.19 -1.32 -1.21 -5.11 115.64 113.83 1jjx s THR 36 Ca -0.02 -1.40 -0.17 0.00 -1.21 0.00 0.00 61.69 58.89 1jjx s THR 36 Cb 0.08 -2.28 0.12 0.00 -1.51 0.00 0.00 72.50 68.91 1jjx s THR 36 CO 0.86 0.00 0.60 -0.75 -2.21 0.00 0.00 174.62 173.12 1jjx s LYS 37 N -4.31 3.03 0.07 7.08 2.20 -1.26 -4.94 119.74 121.61 1jjx s LYS 37 Ca 0.41 -1.57 -0.31 0.00 -0.36 0.00 0.00 55.97 54.14 1jjx s LYS 37 Cb -0.03 -4.29 -0.07 0.00 -1.51 0.00 0.00 37.83 31.92 1jjx s LYS 37 CO 0.25 -1.42 1.48 -1.25 -0.36 0.00 0.00 175.35 174.05 1jjx s PRO 38 N 2.03 4.26 -0.41 4.03 0.04 -1.26 -4.68 135.00 139.02 1jjx s PRO 38 Ca 0.07 2.14 -0.06 0.00 0.04 0.00 0.00 61.00 63.20 1jjx s PRO 38 Cb -0.27 -3.43 0.09 0.00 0.04 0.00 0.00 34.50 30.94 1jjx s PRO 38 CO 0.04 -0.58 0.21 0.99 0.04 0.00 0.00 177.00 177.71 1jjx s THR 39 N 1.90 3.67 -0.50 1.26 2.01 -0.18 -2.61 115.64 121.20 1jjx s THR 39 Ca 0.67 -1.72 -0.13 0.00 0.31 0.00 0.00 61.69 60.82 1jjx s THR 39 Cb -0.37 -3.36 0.11 0.00 0.01 0.00 0.00 72.50 68.90 1jjx s THR 39 CO 0.30 -0.57 0.41 -0.69 -0.69 0.00 0.00 174.62 173.38 1jjx s VAL 40 N 1.28 4.80 -0.59 3.82 1.01 0.32 -1.42 120.40 129.61 1jjx s VAL 40 Ca 0.04 -1.51 -0.23 0.00 0.00 0.00 0.00 61.98 60.28 1jjx s VAL 40 Cb -0.23 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1jjx s VAL 40 CO -0.01 -0.76 0.93 -0.63 0.00 0.00 0.00 175.10 174.63 1jjx s ILE 41 N 1.51 4.38 -0.42 2.22 1.01 -0.12 -1.04 121.20 128.76 1jjx s ILE 41 Ca 0.04 -0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 1jjx s ILE 41 Cb -0.27 -4.59 0.02 0.00 0.01 0.00 0.00 42.46 37.63 1jjx s ILE 41 CO 0.02 -1.24 0.78 -0.63 0.00 0.00 0.00 174.94 173.87 1jjx s ILE 42 N 3.94 4.68 -0.09 2.92 1.01 -0.32 -0.85 121.20 132.48 1jjx s ILE 42 Ca 0.26 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.50 1jjx s ILE 42 Cb -0.15 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.08 1jjx s ILE 42 CO 0.15 -0.60 0.02 -0.94 0.00 0.00 0.00 174.94 173.57 1jjx s SER 43 N 2.02 1.77 -0.32 3.58 1.04 -0.55 -1.99 113.70 119.26 1jjx s SER 43 Ca 0.30 -0.20 -0.26 0.00 0.48 0.00 0.00 55.95 56.27 1jjx s SER 43 Cb -0.12 -0.42 0.01 0.00 0.10 0.00 0.00 66.02 65.59 1jjx s SER 43 CO 0.20 -0.23 0.93 -1.10 0.98 0.00 0.00 173.24 174.03 1jjx s GLN 44 N 1.99 3.99 -0.45 4.02 -0.21 -1.26 -0.32 119.66 127.42 1jjx s GLN 44 Ca 0.04 0.80 0.01 0.00 0.02 0.00 0.00 55.36 56.23 1jjx s GLN 44 Cb -0.13 -3.74 0.12 0.00 1.00 0.00 0.00 33.01 30.26 1jjx s GLN 44 CO -0.06 -0.81 0.21 -1.21 -2.12 0.00 0.00 175.29 171.30 1jjx s GLU 45 N 3.33 1.93 0.00 2.91 0.41 -0.44 -4.88 118.70 121.96 1jjx s GLU 45 Ca 0.39 -2.13 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 1jjx s GLU 45 Cb -0.13 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 1jjx s GLU 45 CO 0.14 -1.06 0.00 0.41 -0.49 0.00 0.00 175.26 174.27 1jjx n GLY 46 N 3.98 2.30 1.68 -1.39 0.00 -1.26 -3.95 105.19 106.54 1jjx n GLY 46 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jjx n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jjx n ASP 47 N 4.50 0.05 -4.72 1.61 5.75 -1.26 -5.14 116.55 117.34 1jjx n ASP 47 Ca 0.00 0.08 -0.34 0.00 -0.01 0.00 0.00 54.79 54.52 1jjx n ASP 47 Cb 0.00 0.04 0.09 0.00 -1.03 0.00 0.00 41.12 40.22 1jjx n ASP 47 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1jjx s LYS 48 N -2.00 2.13 -0.44 0.11 -2.85 -1.25 -4.98 119.74 110.46 1jjx s LYS 48 Ca 0.00 1.74 -0.19 0.00 -1.00 0.00 0.00 55.97 56.52 1jjx s LYS 48 Cb 0.00 -1.83 0.03 0.00 -2.06 0.00 0.00 37.83 33.96 1jjx s LYS 48 CO 0.00 -1.84 0.55 0.08 0.10 0.00 0.00 175.35 174.25 1jjx s VAL 49 N -2.02 4.94 -0.58 1.79 1.01 0.67 -1.33 120.40 124.89 1jjx s VAL 49 Ca 0.74 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1jjx s VAL 49 Cb -0.29 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.04 1jjx s VAL 49 CO 0.46 -0.54 0.71 -0.69 0.00 0.00 0.00 175.10 175.04 1jjx s VAL 50 N 2.52 4.78 -0.32 2.92 1.01 0.57 -2.14 120.40 129.73 1jjx s VAL 50 Ca 0.18 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1jjx s VAL 50 Cb -0.16 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 1jjx s VAL 50 CO 0.16 -1.08 0.44 -0.63 0.00 0.00 0.00 175.10 173.99 1jjx s ILE 51 N 2.82 5.10 -0.53 2.22 1.01 0.08 -1.47 121.20 130.43 1jjx s ILE 51 Ca 0.14 0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.99 1jjx s ILE 51 Cb -0.22 -3.85 0.13 0.00 0.01 0.00 0.00 42.46 38.53 1jjx s ILE 51 CO 0.08 -0.07 0.47 -0.13 0.00 0.00 0.00 174.94 175.29 1jjx s ARG 52 N 2.20 2.88 -0.79 2.79 0.52 -0.03 -1.17 118.95 125.36 1jjx s ARG 52 Ca 0.16 -1.74 -0.22 0.00 -0.52 0.00 0.00 55.73 53.40 1jjx s ARG 52 Cb -0.16 -4.21 0.08 0.00 0.52 0.00 0.00 34.95 31.18 1jjx s ARG 52 CO 0.12 -1.30 1.11 0.99 0.02 0.00 0.00 175.30 176.24 1jjx s THR 53 N 1.51 4.30 -0.89 0.02 2.01 0.09 -0.94 115.64 121.72 1jjx s THR 53 Ca 0.04 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 1jjx s THR 53 Cb -0.29 -4.79 0.23 0.00 0.01 0.00 0.00 72.50 67.66 1jjx s THR 53 CO 0.02 -1.59 0.83 -0.76 -0.69 0.00 0.00 174.62 172.43 1jjx s LEU 54 N 4.05 6.38 0.33 4.42 1.43 -0.51 -2.14 118.68 132.65 1jjx s LEU 54 Ca 0.30 -3.05 -0.26 0.00 -1.03 0.00 0.00 54.13 50.08 1jjx s LEU 54 Cb -0.10 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 1jjx s LEU 54 CO 0.03 -0.44 0.96 -0.55 0.23 0.00 0.00 176.35 176.58 1jjx s SER 55 N 1.56 7.26 0.00 2.29 0.15 -1.23 -1.01 113.70 122.72 1jjx s SER 55 Ca 0.22 1.86 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1jjx s SER 55 Cb -0.11 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1jjx s SER 55 CO -0.08 -0.12 0.69 0.35 1.20 0.00 0.00 173.24 175.27 1jjx n THR 56 N 0.47 0.69 0.17 6.45 -2.24 -1.26 -3.47 114.28 115.09 1jjx n THR 56 Ca 0.02 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jjx n THR 56 Cb 0.50 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 1.11 -3.79 -3.59 4.78 3.72 -1.26 -5.06 117.46 113.37 1jjx n PHE 57 Ca 0.00 1.08 -0.40 0.00 -0.05 0.00 0.00 57.45 58.08 1jjx n PHE 57 Cb 0.25 2.72 -0.09 0.00 -0.94 0.00 0.00 39.48 41.42 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 -2.00 2.42 -0.91 -1.08 -0.14 -1.23 -5.05 119.74 111.75 1jjx s LYS 58 Ca 0.00 -1.74 -0.15 0.00 -1.36 0.00 0.00 55.97 52.72 1jjx s LYS 58 Cb 0.00 -3.86 0.20 0.00 -1.68 0.00 0.00 37.83 32.49 1jjx s LYS 58 CO 0.00 -1.15 0.94 -0.80 -0.76 0.00 0.00 175.35 173.58 1jjx s ASN 59 N 2.49 6.82 -0.10 2.83 -0.87 -1.26 -3.52 114.94 121.34 1jjx s ASN 59 Ca 0.06 -2.67 -0.03 0.00 -1.57 0.00 0.00 52.86 48.65 1jjx s ASN 59 Cb -0.25 -2.27 -0.03 0.00 -0.02 0.00 0.00 41.25 38.67 1jjx s ASN 59 CO -0.01 -0.67 0.04 0.28 -2.57 0.00 0.00 177.10 174.17 1jjx s THR 60 N 0.68 4.60 0.03 1.60 -1.32 -0.91 -4.98 115.64 115.34 1jjx s THR 60 Ca 0.25 -0.13 0.03 0.00 -1.21 0.00 0.00 61.69 60.62 1jjx s THR 60 Cb -0.08 -2.96 -0.02 0.00 -1.51 0.00 0.00 72.50 67.93 1jjx s THR 60 CO -0.08 0.60 -0.08 -1.83 -2.21 0.00 0.00 174.62 171.02 1jjx s GLU 61 N -0.86 0.58 -0.05 7.08 -1.05 -1.26 -0.73 118.70 122.41 1jjx s GLU 61 Ca 0.13 -0.57 0.01 0.00 -0.15 0.00 0.00 54.97 54.39 1jjx s GLU 61 Cb -0.12 -0.48 0.02 0.00 -0.44 0.00 0.00 34.13 33.12 1jjx s GLU 61 CO 0.03 0.11 -0.05 0.96 0.95 0.00 0.00 175.26 177.26 1jjx s ILE 62 N -0.85 0.56 -0.21 1.83 -4.36 -0.31 -5.01 121.20 112.86 1jjx s ILE 62 Ca -0.03 -0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.22 1jjx s ILE 62 Cb -0.07 -0.58 0.02 0.00 1.25 0.00 0.00 42.46 43.08 1jjx s ILE 62 CO 0.00 0.23 -0.15 -0.44 0.24 0.00 0.00 174.94 174.83 1jjx s SER 63 N 0.92 3.63 0.01 4.36 0.01 -1.26 -0.74 113.70 120.64 1jjx s SER 63 Ca -0.11 -0.77 -0.16 0.00 1.31 0.00 0.00 55.95 56.23 1jjx s SER 63 Cb -0.14 -1.55 0.03 0.00 0.21 0.00 0.00 66.02 64.57 1jjx s SER 63 CO 0.00 -0.05 0.34 0.72 0.41 0.00 0.00 173.24 174.66 1jjx s PHE 64 N 1.29 -0.18 0.18 2.43 -0.12 -0.91 -4.95 117.98 115.71 1jjx s PHE 64 Ca 0.02 0.18 -0.05 0.00 -0.05 0.00 0.00 56.93 57.04 1jjx s PHE 64 Cb -0.15 0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.31 1jjx s PHE 64 CO -0.09 -0.47 0.42 -0.65 -0.05 0.00 0.00 175.22 174.38 1jjx s GLN 65 N -1.95 3.63 0.00 1.99 -0.21 -1.26 -0.24 119.66 121.62 1jjx s GLN 65 Ca -0.09 -0.06 -0.30 0.00 0.02 0.00 0.00 55.36 54.93 1jjx s GLN 65 Cb -0.03 -2.80 -0.06 0.00 1.00 0.00 0.00 33.01 31.12 1jjx s GLN 65 CO 0.01 0.41 1.56 -0.51 -2.12 0.00 0.00 175.29 174.65 1jjx s LEU 66 N -2.85 4.33 0.00 2.90 1.43 -1.26 -2.03 118.68 121.20 1jjx s LEU 66 Ca 0.42 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1jjx s LEU 66 Cb -0.12 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1jjx s LEU 66 CO 0.25 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1jjx n GLY 67 N 3.92 3.15 3.69 -3.19 0.00 -0.36 -5.03 105.19 107.37 1jjx n GLY 67 Ca 0.15 0.00 -0.42 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 -0.30 4.45 0.30 1.61 -6.30 -0.86 -4.85 118.70 112.75 1jjx s GLU 68 Ca 0.00 1.42 -0.25 0.00 -2.50 0.00 0.00 54.97 53.64 1jjx s GLU 68 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 34.13 30.52 1jjx s GLU 68 CO 0.00 -0.26 0.90 -2.00 0.02 0.00 0.00 175.26 173.92 1jjx s GLU 69 N 1.76 4.53 -0.03 4.30 2.12 -1.26 -4.37 118.70 125.74 1jjx s GLU 69 Ca 0.50 1.24 -0.03 0.00 0.36 0.00 0.00 54.97 57.04 1jjx s GLU 69 Cb -0.19 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.37 1jjx s GLU 69 CO 0.21 0.31 0.08 -0.59 -0.54 0.00 0.00 175.26 174.73 1jjx s PHE 70 N -1.58 -0.06 -0.01 5.30 -0.71 -0.19 -4.96 117.98 115.77 1jjx s PHE 70 Ca 0.48 0.16 -0.30 0.00 -1.04 0.00 0.00 56.93 56.23 1jjx s PHE 70 Cb -0.18 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.61 1jjx s PHE 70 CO 0.23 -0.07 1.03 -0.51 -1.34 0.00 0.00 175.22 174.56 1jjx s ASP 71 N -0.14 7.29 -0.30 1.98 1.11 -1.26 -0.74 116.67 124.62 1jjx s ASP 71 Ca -0.02 1.70 0.02 0.00 0.18 0.00 0.00 52.55 54.42 1jjx s ASP 71 Cb -0.02 -2.57 0.09 0.00 1.07 0.00 0.00 42.92 41.49 1jjx s ASP 71 CO 0.00 -0.34 0.03 -0.70 1.18 0.00 0.00 175.17 175.35 1jjx s GLU 72 N 1.23 1.31 -0.65 8.23 2.12 -0.44 -4.94 118.70 125.56 1jjx s GLU 72 Ca 0.53 -1.35 -0.28 0.00 0.36 0.00 0.00 54.97 54.22 1jjx s GLU 72 Cb -0.22 -2.64 0.03 0.00 0.26 0.00 0.00 34.13 31.55 1jjx s GLU 72 CO 0.26 -0.84 1.25 0.99 -0.54 0.00 0.00 175.26 176.38 1jjx s THR 73 N 1.27 3.86 0.80 -1.70 2.01 -1.26 -1.53 115.64 119.10 1jjx s THR 73 Ca 0.05 0.67 -0.12 0.00 0.31 0.00 0.00 61.69 62.60 1jjx s THR 73 Cb -0.18 -4.79 0.07 0.00 0.01 0.00 0.00 72.50 67.61 1jjx s THR 73 CO -0.13 -1.56 1.14 0.42 -0.69 0.00 0.00 174.62 173.80 1jjx s THR 74 N 5.41 2.52 -0.49 -0.82 -4.23 -0.63 -4.91 115.64 112.49 1jjx s THR 74 Ca 0.40 0.17 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 1jjx s THR 74 Cb -0.08 -3.08 0.06 0.00 1.34 0.00 0.00 72.50 70.75 1jjx s THR 74 CO 0.21 -0.22 1.09 0.00 -0.54 0.00 0.00 174.62 175.15 1jjx n ALA 75 N -3.36 0.76 -1.94 3.99 0.00 -1.26 -1.41 120.51 117.29 1jjx n ALA 75 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1jjx n ALA 75 Cb 0.59 -0.84 0.09 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.66 3.34 -3.02 0.00 -0.08 -1.26 -4.87 116.55 108.99 1jjx n ASP 76 Ca -0.00 -3.62 -0.14 0.00 -1.51 0.00 0.00 54.79 49.52 1jjx n ASP 76 Cb 0.16 -0.42 0.07 0.00 2.34 0.00 0.00 41.12 43.27 1jjx n ASP 76 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1jjx n ASP 77 N -0.80 -3.84 -4.20 1.67 9.92 -0.50 -4.92 116.55 113.88 1jjx n ASP 77 Ca 0.31 -0.56 -0.32 0.00 -0.53 0.00 0.00 54.79 53.69 1jjx n ASP 77 Cb 0.86 -4.45 -0.17 0.00 -0.64 0.00 0.00 41.12 36.72 1jjx n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jjx s ARG 78 N -4.70 2.98 -0.91 -1.24 1.70 -1.26 -4.94 118.95 110.59 1jjx s ARG 78 Ca 0.18 -0.85 -0.19 0.00 -0.47 0.00 0.00 55.73 54.40 1jjx s ARG 78 Cb -0.02 -2.30 0.13 0.00 -0.57 0.00 0.00 34.95 32.19 1jjx s ARG 78 CO 0.62 0.11 1.09 0.54 -1.08 0.00 0.00 175.30 176.58 1jjx s ASN 79 N 0.51 6.61 -0.12 -2.89 4.22 -1.26 -1.61 114.94 120.41 1jjx s ASN 79 Ca -0.15 -2.04 -0.12 0.00 -2.14 0.00 0.00 52.86 48.41 1jjx s ASN 79 Cb -0.17 -2.38 -0.05 0.00 1.28 0.00 0.00 41.25 39.93 1jjx s ASN 79 CO 0.05 -1.04 0.26 0.00 -2.04 0.00 0.00 177.10 174.33 1jjx s LYS 81 N -0.25 2.99 -0.28 0.00 3.01 0.42 -1.33 119.74 124.29 1jjx s LYS 81 Ca 0.17 -0.32 -0.11 0.00 -1.01 0.00 0.00 55.97 54.71 1jjx s LYS 81 Cb -0.13 -4.82 -0.04 0.00 -1.01 0.00 0.00 37.83 31.82 1jjx s LYS 81 CO 0.05 -2.67 0.18 -1.12 0.51 0.00 0.00 175.35 172.31 1jjx s SER 82 N 6.34 5.89 -0.13 2.83 0.01 0.08 -2.00 113.70 126.72 1jjx s SER 82 Ca 0.56 -0.10 0.02 0.00 1.31 0.00 0.00 55.95 57.74 1jjx s SER 82 Cb -0.06 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.08 1jjx s SER 82 CO 0.04 -0.07 -0.20 0.54 0.41 0.00 0.00 173.24 173.96 1jjx s VAL 83 N 1.73 1.88 -0.25 3.43 0.11 -0.65 -1.02 120.40 125.63 1jjx s VAL 83 Ca 0.07 -0.87 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 1jjx s VAL 83 Cb -0.16 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 1jjx s VAL 83 CO 0.10 0.52 0.03 -0.69 -3.33 0.00 0.00 175.10 171.72 1jjx s VAL 84 N 0.85 3.81 -0.08 2.04 1.01 -1.26 -1.15 120.40 125.63 1jjx s VAL 84 Ca -0.07 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1jjx s VAL 84 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1jjx s VAL 84 CO -0.01 0.29 -0.22 -0.94 0.00 0.00 0.00 175.10 174.21 1jjx s SER 85 N 1.52 3.27 -0.70 3.32 1.04 -0.61 -1.22 113.70 120.33 1jjx s SER 85 Ca 0.05 -0.47 -0.21 0.00 0.48 0.00 0.00 55.95 55.79 1jjx s SER 85 Cb -0.15 -1.06 0.09 0.00 0.10 0.00 0.00 66.02 64.99 1jjx s SER 85 CO 0.00 0.22 0.94 -0.22 0.98 0.00 0.00 173.24 175.17 1jjx s LEU 86 N -0.04 4.71 -1.14 2.42 0.20 -1.26 -0.62 118.68 122.95 1jjx s LEU 86 Ca -0.07 -1.27 -0.12 0.00 0.69 0.00 0.00 54.13 53.36 1jjx s LEU 86 Cb -0.15 -2.39 0.21 0.00 -0.43 0.00 0.00 46.19 43.43 1jjx s LEU 86 CO 0.05 -1.31 1.27 -0.62 -0.29 0.00 0.00 176.35 175.45 1jjx s ASP 87 N 3.66 7.14 0.03 3.68 -1.08 0.50 -4.89 116.67 125.71 1jjx s ASP 87 Ca 0.22 -3.17 0.00 0.00 -0.52 0.00 0.00 52.55 49.08 1jjx s ASP 87 Cb -0.16 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 1jjx s ASP 87 CO 0.06 -0.57 0.00 0.61 0.52 0.00 0.00 175.17 175.78 1jjx n GLY 88 N 3.62 1.41 1.10 2.66 0.00 -1.26 -2.12 105.19 110.60 1jjx n GLY 88 Ca 0.30 0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.70 1jjx n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jjx n ASP 89 N 4.99 3.31 -4.08 1.61 5.68 -1.26 -5.02 116.55 121.78 1jjx n ASP 89 Ca 0.00 -1.98 -0.32 0.00 -0.50 0.00 0.00 54.79 52.00 1jjx n ASP 89 Cb 0.00 -0.22 -0.16 0.00 -1.14 0.00 0.00 41.12 39.60 1jjx n ASP 89 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1jjx s LYS 90 N -1.56 2.70 -0.70 0.11 1.02 -0.90 -3.61 119.74 116.80 1jjx s LYS 90 Ca 0.38 -0.72 -0.25 0.00 0.02 0.00 0.00 55.97 55.39 1jjx s LYS 90 Cb 0.22 -2.38 0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1jjx s LYS 90 CO 0.31 -0.23 1.16 -0.51 -0.92 0.00 0.00 175.35 175.16 1jjx s LEU 91 N 1.37 3.62 -0.51 3.17 1.43 0.52 -0.37 118.68 127.91 1jjx s LEU 91 Ca 0.05 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 1jjx s LEU 91 Cb -0.13 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.66 1jjx s LEU 91 CO -0.12 -1.67 0.45 -0.69 0.23 0.00 0.00 176.35 174.55 1jjx s VAL 92 N 5.07 5.05 -0.50 -1.59 1.01 0.21 -1.48 120.40 128.18 1jjx s VAL 92 Ca 0.31 -1.43 -0.22 0.00 0.00 0.00 0.00 61.98 60.64 1jjx s VAL 92 Cb -0.11 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.12 1jjx s VAL 92 CO 0.14 -0.77 0.75 -2.28 0.00 0.00 0.00 175.10 172.94 1jjx s HIS 93 N 1.57 2.96 -0.50 5.22 5.04 -0.89 -1.58 115.29 127.12 1jjx s HIS 93 Ca 0.04 -0.16 -0.16 0.00 -1.54 0.00 0.00 55.06 53.24 1jjx s HIS 93 Cb -0.28 -3.69 0.09 0.00 0.04 0.00 0.00 32.58 28.75 1jjx s HIS 93 CO 0.03 -1.09 0.43 0.42 -2.34 0.00 0.00 174.74 172.19 1jjx s ILE 94 N 3.19 5.21 -0.23 0.89 1.01 -0.30 -1.44 121.20 129.52 1jjx s ILE 94 Ca 0.24 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 1jjx s ILE 94 Cb -0.15 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1jjx s ILE 94 CO 0.17 -0.68 0.40 -1.10 0.00 0.00 0.00 174.94 173.73 1jjx s GLN 95 N 1.62 4.11 -0.19 2.79 -0.21 -0.31 -1.64 119.66 125.83 1jjx s GLN 95 Ca 0.04 0.16 -0.01 0.00 0.02 0.00 0.00 55.36 55.56 1jjx s GLN 95 Cb -0.26 -3.59 0.01 0.00 1.00 0.00 0.00 33.01 30.17 1jjx s GLN 95 CO 0.05 -0.14 -0.13 0.15 -2.12 0.00 0.00 175.29 173.09 1jjx s LYS 96 N 1.65 3.17 -0.16 2.91 1.02 -0.85 -2.23 119.74 125.25 1jjx s LYS 96 Ca 0.18 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.34 1jjx s LYS 96 Cb -0.15 -2.74 0.06 0.00 -0.52 0.00 0.00 37.83 34.48 1jjx s LYS 96 CO 0.09 -0.16 0.38 1.67 -0.92 0.00 0.00 175.35 176.41 1jjx s TRP 97 N 1.26 -0.57 -1.41 3.18 -2.14 -0.50 -0.44 118.94 118.32 1jjx s TRP 97 Ca 0.03 1.22 -0.03 0.00 2.66 0.00 0.00 56.10 59.98 1jjx s TRP 97 Cb -0.14 0.23 0.02 0.00 -3.10 0.00 0.00 33.47 30.48 1jjx s TRP 97 CO -0.07 -0.34 0.60 -0.25 -2.66 0.00 0.00 176.95 174.23 1jjx n ASP 98 N 4.38 -1.31 -0.51 -2.66 8.00 -1.26 -1.01 116.55 122.18 1jjx n ASP 98 Ca -0.22 -0.92 -0.07 0.00 0.71 0.00 0.00 54.79 54.29 1jjx n ASP 98 Cb 0.54 -3.44 -0.03 0.00 -0.02 0.00 0.00 41.12 38.17 1jjx n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjx n GLY 99 N -1.77 0.84 3.02 0.44 0.00 -1.26 -5.05 105.19 101.41 1jjx n GLY 99 Ca -0.24 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.19 0.68 -0.04 1.61 1.02 -0.18 -5.16 119.74 115.47 1jjx s LYS 100 Ca 0.00 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 55.68 1jjx s LYS 100 Cb 0.00 -0.65 0.02 0.00 -0.52 0.00 0.00 37.83 36.68 1jjx s LYS 100 CO 0.00 0.18 -0.04 -2.00 -0.92 0.00 0.00 175.35 172.56 1jjx s GLU 101 N -0.26 0.78 -0.16 1.68 2.12 -1.26 -1.41 118.70 120.19 1jjx s GLU 101 Ca 0.03 -0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.27 1jjx s GLU 101 Cb -0.04 -0.79 0.01 0.00 0.26 0.00 0.00 34.13 33.58 1jjx s GLU 101 CO -0.00 -0.07 -0.20 -0.08 -0.54 0.00 0.00 175.26 174.37 1jjx s THR 102 N 0.83 2.16 -0.23 -1.70 -1.32 -0.95 -4.72 115.64 109.72 1jjx s THR 102 Ca -0.11 -0.93 -0.06 0.00 -1.21 0.00 0.00 61.69 59.38 1jjx s THR 102 Cb -0.14 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 68.94 1jjx s THR 102 CO 0.00 0.54 0.03 0.54 -2.21 0.00 0.00 174.62 173.52 1jjx s ASN 103 N 0.97 4.95 -0.40 8.08 6.03 -1.25 -1.17 114.94 132.15 1jjx s ASN 103 Ca -0.03 -0.21 -0.12 0.00 -1.03 0.00 0.00 52.86 51.47 1jjx s ASN 103 Cb -0.15 -1.87 0.04 0.00 -3.03 0.00 0.00 41.25 36.25 1jjx s ASN 103 CO -0.05 0.01 0.26 -0.36 -2.03 0.00 0.00 177.10 174.93 1jjx s PHE 104 N 1.34 3.26 -0.54 1.54 0.08 -0.52 -3.43 117.98 119.71 1jjx s PHE 104 Ca 0.05 -1.02 -0.20 0.00 0.12 0.00 0.00 56.93 55.88 1jjx s PHE 104 Cb -0.15 -2.66 0.07 0.00 -0.57 0.00 0.00 43.02 39.71 1jjx s PHE 104 CO 0.02 -0.70 0.68 0.08 -0.10 0.00 0.00 175.22 175.20 1jjx s VAL 105 N 1.56 4.80 -0.46 -0.44 1.01 0.04 -2.10 120.40 124.81 1jjx s VAL 105 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1jjx s VAL 105 Cb -0.21 -4.38 0.12 0.00 0.00 0.00 0.00 36.38 31.92 1jjx s VAL 105 CO 0.06 -0.93 0.29 -0.13 0.00 0.00 0.00 175.10 174.39 1jjx s ARG 106 N 2.81 2.26 0.11 2.72 0.52 -0.55 -0.83 118.95 125.99 1jjx s ARG 106 Ca 0.16 -1.86 0.09 0.00 -0.52 0.00 0.00 55.73 53.60 1jjx s ARG 106 Cb -0.20 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 1jjx s ARG 106 CO 0.11 -1.13 -0.23 -1.83 0.02 0.00 0.00 175.30 172.23 1jjx s GLU 107 N 1.13 1.23 -0.44 3.54 4.04 -0.58 -0.36 118.70 127.26 1jjx s GLU 107 Ca 0.08 -1.23 -0.27 0.00 0.04 0.00 0.00 54.97 53.58 1jjx s GLU 107 Cb -0.24 -1.59 0.03 0.00 0.02 0.00 0.00 34.13 32.35 1jjx s GLU 107 CO -0.03 0.37 1.03 0.42 -1.84 0.00 0.00 175.26 175.22 1jjx s ILE 108 N -1.12 4.38 -0.83 1.83 -1.09 -1.24 -0.69 121.20 122.44 1jjx s ILE 108 Ca 0.09 1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 59.56 1jjx s ILE 108 Cb -0.10 -4.49 0.21 0.00 -1.58 0.00 0.00 42.46 36.50 1jjx s ILE 108 CO 0.05 -0.83 0.73 -0.75 -1.23 0.00 0.00 174.94 172.91 1jjx s LYS 109 N 4.01 3.36 -1.14 2.79 2.47 0.48 -4.82 119.74 126.89 1jjx s LYS 109 Ca 0.43 -2.74 -0.23 0.00 -1.56 0.00 0.00 55.97 51.86 1jjx s LYS 109 Cb -0.09 -4.18 0.00 0.00 -1.46 0.00 0.00 37.83 32.10 1jjx s LYS 109 CO 0.26 -1.25 0.78 -3.47 0.16 0.00 0.00 175.35 171.83 1jjx n ASP 110 N 3.36 -5.16 0.00 1.43 2.03 -1.26 -2.63 116.55 114.31 1jjx n ASP 110 Ca 0.15 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.40 1jjx n ASP 110 Cb 0.42 -3.08 0.00 0.00 -0.72 0.00 0.00 41.12 37.74 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 -1.75 2.71 3.81 0.27 0.00 -1.26 -5.07 105.19 103.89 1jjx n GLY 111 Ca -0.10 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 4.25 -0.41 1.61 1.02 -1.08 -4.52 119.74 120.62 1jjx s LYS 112 Ca 0.00 0.81 -0.25 0.00 0.02 0.00 0.00 55.97 56.54 1jjx s LYS 112 Cb 0.00 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 1jjx s LYS 112 CO 0.00 0.59 0.91 1.41 -0.92 0.00 0.00 175.35 177.34 1jjx s MET 113 N -1.29 3.69 -0.56 1.68 -2.45 -0.40 -0.39 119.30 119.58 1jjx s MET 113 Ca 0.33 0.37 -0.22 0.00 -1.25 0.00 0.00 55.69 54.91 1jjx s MET 113 Cb -0.19 -3.86 0.06 0.00 1.25 0.00 0.00 34.83 32.08 1jjx s MET 113 CO 0.21 -1.06 0.83 0.08 1.05 0.00 0.00 175.02 176.12 1jjx s VAL 114 N 3.57 4.56 -0.60 10.11 1.01 0.13 -1.17 120.40 138.00 1jjx s VAL 114 Ca 0.37 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 1jjx s VAL 114 Cb -0.11 -4.48 0.08 0.00 0.00 0.00 0.00 36.38 31.86 1jjx s VAL 114 CO 0.22 -1.08 0.83 -0.32 0.00 0.00 0.00 175.10 174.75 1jjx s MET 115 N 3.47 3.11 -0.42 2.72 0.00 -0.21 -1.53 119.30 126.44 1jjx s MET 115 Ca 0.23 -0.94 -0.20 0.00 0.00 0.00 0.00 55.69 54.77 1jjx s MET 115 Cb -0.16 -4.20 0.02 0.00 0.00 0.00 0.00 34.83 30.48 1jjx s MET 115 CO 0.15 -1.61 0.62 0.99 0.00 0.00 0.00 175.02 175.17 1jjx s THR 116 N 3.40 4.86 -0.26 10.11 2.01 -0.01 -0.81 115.64 134.95 1jjx s THR 116 Ca 0.18 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 1jjx s THR 116 Cb -0.19 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1jjx s THR 116 CO 0.10 -0.52 0.36 -0.76 -0.69 0.00 0.00 174.62 173.10 1jjx s LEU 117 N 2.74 4.06 -0.12 4.42 1.02 0.57 -0.78 118.68 130.59 1jjx s LEU 117 Ca 0.22 0.30 0.01 0.00 0.02 0.00 0.00 54.13 54.68 1jjx s LEU 117 Cb -0.14 -2.41 0.02 0.00 0.02 0.00 0.00 46.19 43.68 1jjx s LEU 117 CO 0.18 -0.14 -0.13 0.28 0.02 0.00 0.00 176.35 176.55 1jjx s THR 118 N 1.86 1.40 -0.81 5.49 -1.32 -1.22 -0.61 115.64 120.43 1jjx s THR 118 Ca 0.15 -0.55 0.01 0.00 -1.21 0.00 0.00 61.69 60.08 1jjx s THR 118 Cb -0.15 -1.32 0.20 0.00 -1.51 0.00 0.00 72.50 69.72 1jjx s THR 118 CO 0.09 0.43 0.66 0.12 -2.21 0.00 0.00 174.62 173.70 1jjx s PHE 119 N 1.30 3.76 0.00 9.09 5.36 -0.45 -3.92 117.98 133.11 1jjx s PHE 119 Ca -0.01 -3.15 0.00 0.00 -0.96 0.00 0.00 56.93 52.82 1jjx s PHE 119 Cb -0.14 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 1jjx s PHE 119 CO -0.06 -0.67 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 1jjx n GLY 120 N 2.23 0.92 0.07 13.12 0.00 -1.26 -2.71 105.19 117.56 1jjx n GLY 120 Ca 0.20 0.40 -0.09 0.00 0.00 0.00 0.00 46.02 46.53 1jjx n GLY 120 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jjx h ASP 121 N 0.00 0.06 -3.47 1.61 2.03 -2.02 -3.47 116.42 111.16 1jjx h ASP 121 Ca 0.00 -0.08 -0.61 0.00 -0.73 0.00 0.00 57.03 55.61 1jjx h ASP 121 Cb 0.00 -0.02 -0.11 0.00 -0.83 0.00 0.00 39.33 38.37 1jjx h ASP 121 CO 0.00 1.07 0.18 -0.69 -1.03 0.00 0.00 179.24 178.77 1jjx s VAL 122 N -2.66 4.97 -0.16 4.15 1.01 -1.10 -5.05 120.40 121.56 1jjx s VAL 122 Ca -0.02 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 1jjx s VAL 122 Cb 0.09 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1jjx s VAL 122 CO 0.83 0.01 -0.14 -0.69 0.00 0.00 0.00 175.10 175.11 1jjx s VAL 123 N 2.53 2.72 0.22 2.92 1.01 -1.26 -1.35 120.40 127.20 1jjx s VAL 123 Ca 0.27 -0.75 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1jjx s VAL 123 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1jjx s VAL 123 CO 0.09 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.53 1jjx s ALA 124 N 0.87 2.77 -0.17 5.51 0.00 0.22 -4.77 121.76 126.20 1jjx s ALA 124 Ca -0.04 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.25 1jjx s ALA 124 Cb -0.15 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.54 1jjx s ALA 124 CO -0.01 0.39 0.02 0.08 0.00 0.00 0.00 175.76 176.24 1jjx s VAL 125 N -1.94 0.58 -0.26 0.00 1.01 -0.52 -0.32 120.40 118.95 1jjx s VAL 125 Ca 0.25 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1jjx s VAL 125 Cb -0.07 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1jjx s VAL 125 CO 0.14 -0.08 0.19 -0.13 0.00 0.00 0.00 175.10 175.21 1jjx s ARG 126 N 1.85 4.02 -0.32 2.72 0.52 0.01 -0.92 118.95 126.82 1jjx s ARG 126 Ca 0.00 -0.26 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 1jjx s ARG 126 Cb -0.16 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1jjx s ARG 126 CO -0.07 -0.07 0.16 -1.01 0.02 0.00 0.00 175.30 174.33 1jjx s HIS 127 N 1.43 3.19 -0.11 -0.53 3.76 -0.37 -1.05 115.29 121.61 1jjx s HIS 127 Ca 0.08 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 1jjx s HIS 127 Cb -0.15 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 31.16 1jjx s HIS 127 CO 0.08 -0.50 -0.15 0.71 -0.85 0.00 0.00 174.74 174.03 1jjx s TYR 128 N 1.60 2.76 0.11 1.40 2.02 -0.32 -0.44 117.35 124.47 1jjx s TYR 128 Ca 0.04 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1jjx s TYR 128 Cb -0.18 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 1jjx s TYR 128 CO 0.06 -0.19 0.21 -1.21 -1.57 0.00 0.00 175.55 172.85 1jjx s GLU 129 N 0.20 3.29 0.10 -0.62 2.02 -0.57 -1.28 118.70 121.85 1jjx s GLU 129 Ca -0.09 -0.58 -0.30 0.00 0.02 0.00 0.00 54.97 54.01 1jjx s GLU 129 Cb -0.15 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.09 1jjx s GLU 129 CO 0.05 0.56 1.18 0.15 0.02 0.00 0.00 175.26 177.23 1jjx s LYS 130 N -2.81 4.47 0.00 1.61 1.02 -1.26 -0.95 119.74 121.81 1jjx s LYS 130 Ca 0.33 1.78 0.17 0.00 0.02 0.00 0.00 55.97 58.28 1jjx s LYS 130 Cb -0.12 -3.32 0.14 0.00 -0.52 0.00 0.00 37.83 34.01 1jjx s LYS 130 CO 0.27 -0.18 1.04 0.00 -0.92 0.00 0.00 175.35 175.56