#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn3 h PHE 2 N 0.00 0.10 -3.60 0.00 -1.00 -1.96 -3.45 116.94 107.02 2jn3 h PHE 2 Ca 0.00 -0.05 -0.57 0.00 2.81 0.00 0.00 57.97 60.16 2jn3 h PHE 2 Cb 0.00 -0.01 0.14 0.00 3.61 0.00 0.00 35.95 39.69 2jn3 h PHE 2 CO 0.00 0.82 0.37 0.43 -1.61 0.00 0.00 178.31 178.33 2jn3 n SER 3 N -3.66 1.92 0.00 2.17 7.64 -1.26 -4.60 113.62 115.83 2jn3 n SER 3 Ca -0.02 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.85 2jn3 n SER 3 Cb 0.75 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2jn3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jn3 n GLY 4 N 0.98 0.83 3.66 0.23 0.00 0.32 -4.93 105.19 106.28 2jn3 n GLY 4 Ca 0.10 -2.23 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 2jn3 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jn3 s THR 5 N -0.91 4.80 0.05 2.61 2.01 -1.26 -1.25 115.64 121.68 2jn3 s THR 5 Ca 0.00 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.05 2jn3 s THR 5 Cb 0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2jn3 s THR 5 CO 0.00 0.49 -0.25 0.26 -0.69 0.00 0.00 174.62 174.43 2jn3 s TRP 6 N 0.08 2.20 -0.16 4.92 0.52 -0.68 -2.04 118.94 123.79 2jn3 s TRP 6 Ca 0.05 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.77 2jn3 s TRP 6 Cb -0.12 -1.32 0.03 0.00 -1.15 0.00 0.00 33.47 30.92 2jn3 s TRP 6 CO 0.01 0.12 -0.09 -1.14 0.02 0.00 0.00 176.95 175.87 2jn3 s GLN 7 N -1.25 1.84 0.09 4.98 0.74 -0.25 -1.52 119.66 124.29 2jn3 s GLN 7 Ca 0.11 -0.56 -0.31 0.00 0.05 0.00 0.00 55.36 54.65 2jn3 s GLN 7 Cb -0.10 -2.06 -0.09 0.00 1.10 0.00 0.00 33.01 31.87 2jn3 s GLN 7 CO 0.02 -0.35 1.64 0.08 -0.55 0.00 0.00 175.29 176.13 2jn3 s VAL 8 N 1.55 2.95 0.00 1.34 1.01 -1.26 -2.17 120.40 123.82 2jn3 s VAL 8 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2jn3 s VAL 8 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2jn3 s VAL 8 CO -0.09 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.02 2jn3 n TYR 9 N 5.27 0.00 -3.93 5.22 0.18 -0.96 -4.77 117.16 118.17 2jn3 n TYR 9 Ca 0.15 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.78 2jn3 n TYR 9 Cb 0.40 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.21 2jn3 n TYR 9 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jn3 s ALA 10 N -1.43 0.23 -0.16 -3.48 0.00 -1.22 -5.06 121.76 110.65 2jn3 s ALA 10 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 2jn3 s ALA 10 Cb 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 23.12 22.99 2jn3 s ALA 10 CO 0.00 -0.03 0.22 -0.65 0.00 0.00 0.00 175.76 175.30 2jn3 s GLN 11 N 0.63 0.15 0.10 0.00 -0.21 -1.26 -1.49 119.66 117.57 2jn3 s GLN 11 Ca -0.06 0.42 -0.13 0.00 0.02 0.00 0.00 55.36 55.61 2jn3 s GLN 11 Cb -0.09 -0.72 -0.06 0.00 1.00 0.00 0.00 33.01 33.14 2jn3 s GLN 11 CO -0.01 -0.49 0.48 -2.00 -2.12 0.00 0.00 175.29 171.14 2jn3 s GLU 12 N 2.34 3.90 -1.46 2.91 2.12 -1.24 -3.94 118.70 123.34 2jn3 s GLU 12 Ca 0.05 0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.76 2jn3 s GLU 12 Cb -0.14 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2jn3 s GLU 12 CO -0.10 0.55 0.00 0.09 -0.54 0.00 0.00 175.26 175.26 2jn3 n ASN 13 N 1.04 -4.92 -0.15 -1.70 5.03 -1.26 -4.04 115.26 109.26 2jn3 n ASN 13 Ca -0.08 0.34 -0.03 0.00 0.87 0.00 0.00 54.58 55.68 2jn3 n ASN 13 Cb 0.52 -4.02 0.06 0.00 -1.02 0.00 0.00 39.78 35.32 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2jn3 h TYR 14 N 0.00 0.12 -0.13 3.10 3.20 -1.95 0.46 116.97 121.77 2jn3 h TYR 14 Ca -0.28 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 2jn3 h TYR 14 Cb 1.11 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.40 2jn3 h TYR 14 CO 0.52 -0.02 -0.00 0.93 -1.64 0.00 0.00 178.16 177.95 2jn3 h GLU 15 N 0.21 0.23 0.46 1.82 4.39 -1.90 -2.26 114.58 117.53 2jn3 h GLU 15 Ca 0.24 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2jn3 h GLU 15 Cb 0.32 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2jn3 h GLU 15 CO -0.32 0.47 -0.39 0.93 -1.16 0.00 0.00 179.01 178.54 2jn3 h GLU 16 N -0.03 -0.80 -0.35 2.33 5.08 -1.81 0.65 114.58 119.65 2jn3 h GLU 16 Ca 0.04 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2jn3 h GLU 16 Cb 0.37 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 2jn3 h GLU 16 CO 0.01 -0.53 -0.47 0.35 -1.00 0.00 0.00 179.01 177.36 2jn3 h PHE 17 N -0.83 -1.39 -0.63 4.33 3.57 -0.98 -0.54 116.94 120.46 2jn3 h PHE 17 Ca -0.06 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2jn3 h PHE 17 Cb 0.70 0.66 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 2jn3 h PHE 17 CO -0.17 -0.47 0.35 -0.07 -2.23 0.00 0.00 178.31 175.72 2jn3 h LEU 18 N -0.39 0.53 -0.98 0.59 3.38 -1.27 -1.71 115.31 115.46 2jn3 h LEU 18 Ca 0.11 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.37 2jn3 h LEU 18 Cb 0.60 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.14 2jn3 h LEU 18 CO -0.55 0.35 0.53 0.50 0.09 0.00 0.00 178.44 179.37 2jn3 h LYS 19 N 0.67 0.43 0.00 1.13 3.64 0.19 0.86 116.57 123.49 2jn3 h LYS 19 Ca 0.28 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2jn3 h LYS 19 Cb 0.15 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2jn3 h LYS 19 CO -0.16 0.28 -0.36 0.00 -2.27 0.00 0.00 179.45 176.93 2jn3 h ALA 20 N 1.77 1.17 0.00 5.00 0.00 -0.75 -2.68 119.26 123.77 2jn3 h ALA 20 Ca 0.66 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2jn3 h ALA 20 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jn3 h ALA 20 CO -0.54 0.45 0.16 1.25 0.00 0.00 0.00 179.25 180.57 2jn3 h LEU 21 N 0.00 0.00 0.10 0.00 5.85 0.89 -3.45 115.31 118.70 2jn3 h LEU 21 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2jn3 h LEU 21 Cb 0.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2jn3 h LEU 21 CO 0.05 0.00 -0.02 0.00 -0.34 0.00 0.00 178.44 178.13 2jn3 n ALA 22 N -1.96 -0.02 -1.49 1.25 0.00 -1.01 -5.03 120.51 112.24 2jn3 n ALA 22 Ca -0.02 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 2jn3 n ALA 22 Cb 0.21 -0.57 0.11 0.00 0.00 0.00 0.00 19.45 19.21 2jn3 n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jn3 s LEU 23 N -0.23 2.33 0.26 0.00 1.43 -1.26 -4.99 118.68 116.22 2jn3 s LEU 23 Ca 0.00 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 2jn3 s LEU 23 Cb 0.00 -3.69 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2jn3 s LEU 23 CO 0.00 -2.28 1.14 -2.16 0.23 0.00 0.00 176.35 173.29 2jn3 s PRO 24 N -5.16 4.57 0.24 1.29 0.04 -1.26 -4.93 135.00 129.79 2jn3 s PRO 24 Ca 0.62 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 63.47 2jn3 s PRO 24 Cb -0.15 -3.19 0.28 0.00 0.04 0.00 0.00 34.50 31.49 2jn3 s PRO 24 CO 0.54 0.10 1.89 0.93 0.04 0.00 0.00 177.00 180.50 2jn3 h GLU 25 N 4.09 1.12 -0.24 4.56 4.39 -1.99 -0.44 114.58 126.07 2jn3 h GLU 25 Ca -0.46 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.24 2jn3 h GLU 25 Cb 1.21 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2jn3 h GLU 25 CO 0.68 0.74 0.24 -0.44 -1.16 0.00 0.00 179.01 179.08 2jn3 h ASP 26 N 1.15 0.00 0.65 1.42 3.32 -2.00 0.10 116.42 121.06 2jn3 h ASP 26 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2jn3 h ASP 26 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2jn3 h ASP 26 CO -0.12 0.00 -1.24 -0.11 -1.72 0.00 0.00 179.24 176.06 2jn3 n LEU 27 N -3.87 0.60 0.07 1.55 7.94 -0.26 -3.45 117.00 119.57 2jn3 n LEU 27 Ca 0.03 0.18 -0.22 0.00 -1.11 0.00 0.00 56.01 54.89 2jn3 n LEU 27 Cb 0.38 -0.06 -0.15 0.00 0.53 0.00 0.00 43.42 44.13 2jn3 n LEU 27 CO 0.29 -0.10 -0.26 0.40 -1.11 0.00 0.00 177.39 176.61 2jn3 h ILE 28 N 0.00 1.22 -0.06 1.96 2.04 -0.01 -2.14 117.51 120.51 2jn3 h ILE 28 Ca 0.00 -2.53 -0.15 0.00 1.00 0.00 0.00 64.86 63.18 2jn3 h ILE 28 Cb 0.94 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 2jn3 h ILE 28 CO 0.00 0.76 -0.63 0.07 0.00 0.00 0.00 178.15 178.35 2jn3 h LYS 29 N -0.15 0.23 0.07 2.37 2.10 -1.37 0.92 116.57 120.74 2jn3 h LYS 29 Ca -0.25 -0.16 -0.25 0.00 -2.00 0.00 0.00 60.65 57.99 2jn3 h LYS 29 Cb 1.88 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.23 2jn3 h LYS 29 CO 0.16 0.78 -1.17 1.98 -2.00 0.00 0.00 179.45 179.20 2jn3 h MET 30 N 0.17 0.15 -0.40 0.07 4.05 -1.68 -3.25 114.93 114.04 2jn3 h MET 30 Ca -0.01 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2jn3 h MET 30 Cb 1.14 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 2jn3 h MET 30 CO 0.10 1.10 0.00 0.00 0.23 0.00 0.00 176.91 178.34 2jn3 n ALA 31 N -2.47 2.44 0.54 0.39 0.00 -0.81 -4.22 120.51 116.38 2jn3 n ALA 31 Ca -0.06 -0.92 0.05 0.00 0.00 0.00 0.00 53.44 52.51 2jn3 n ALA 31 Cb 0.99 -0.93 0.28 0.00 0.00 0.00 0.00 19.45 19.79 2jn3 n ALA 31 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jn3 n ARG 32 N 1.24 0.17 -2.76 0.00 -4.01 0.31 -3.26 116.66 108.36 2jn3 n ARG 32 Ca 0.19 0.17 -0.10 0.00 -1.04 0.00 0.00 57.85 57.07 2jn3 n ARG 32 Cb 0.54 -1.50 0.06 0.00 -3.04 0.00 0.00 32.46 28.52 2jn3 n ARG 32 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2jn3 n ASP 33 N -1.27 -0.25 -4.03 2.89 5.75 -1.26 -5.05 116.55 113.34 2jn3 n ASP 33 Ca 0.05 -2.79 -0.31 0.00 -0.01 0.00 0.00 54.79 51.74 2jn3 n ASP 33 Cb 0.08 0.28 -0.16 0.00 -1.03 0.00 0.00 41.12 40.30 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2jn3 s ILE 34 N -1.48 1.80 -1.12 2.12 1.01 -1.20 -5.05 121.20 117.27 2jn3 s ILE 34 Ca 0.27 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 2jn3 s ILE 34 Cb 0.40 -1.83 0.14 0.00 0.01 0.00 0.00 42.46 41.19 2jn3 s ILE 34 CO -0.03 0.20 1.37 -1.59 0.00 0.00 0.00 174.94 174.89 2jn3 s LYS 35 N 1.33 3.91 0.11 2.79 -2.85 -1.26 -4.99 119.74 118.78 2jn3 s LYS 35 Ca -0.01 -2.21 -0.30 0.00 -1.00 0.00 0.00 55.97 52.44 2jn3 s LYS 35 Cb -0.16 -5.08 -0.07 0.00 -2.06 0.00 0.00 37.83 30.46 2jn3 s LYS 35 CO -0.08 -1.83 1.22 -1.25 0.10 0.00 0.00 175.35 173.51 2jn3 s PRO 36 N 2.32 4.44 0.43 1.78 0.04 -1.26 -4.81 135.00 137.93 2jn3 s PRO 36 Ca 0.41 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 63.20 2jn3 s PRO 36 Cb -0.03 -3.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 2jn3 s PRO 36 CO -0.03 -0.23 0.78 0.42 0.04 0.00 0.00 177.00 177.99 2jn3 s ILE 37 N 0.72 4.80 -0.09 0.56 1.01 -1.10 -3.99 121.20 123.10 2jn3 s ILE 37 Ca 0.58 0.56 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 2jn3 s ILE 37 Cb -0.31 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.43 2jn3 s ILE 37 CO 0.32 -0.60 0.00 -0.69 0.00 0.00 0.00 174.94 173.97 2jn3 s VAL 38 N -2.46 0.41 -0.10 2.92 1.01 -0.57 -1.82 120.40 119.79 2jn3 s VAL 38 Ca 0.51 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 2jn3 s VAL 38 Cb -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2jn3 s VAL 38 CO 0.34 0.19 0.24 -0.70 0.00 0.00 0.00 175.10 175.18 2jn3 s GLU 39 N 1.95 3.77 -0.09 2.72 2.12 -0.94 -1.68 118.70 126.55 2jn3 s GLU 39 Ca 0.04 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.46 2jn3 s GLU 39 Cb -0.13 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.01 2jn3 s GLU 39 CO -0.06 0.63 -0.17 0.42 -0.54 0.00 0.00 175.26 175.54 2jn3 s ILE 40 N -0.69 1.55 -0.54 -3.70 -1.09 -0.38 -1.95 121.20 114.40 2jn3 s ILE 40 Ca 0.17 -0.71 0.06 0.00 -2.23 0.00 0.00 60.65 57.94 2jn3 s ILE 40 Cb -0.13 -1.38 0.22 0.00 -1.58 0.00 0.00 42.46 39.58 2jn3 s ILE 40 CO 0.06 0.45 0.55 1.67 -1.23 0.00 0.00 174.94 176.44 2jn3 n GLN 41 N 3.79 1.43 -1.20 2.79 7.27 -0.87 -0.52 117.38 130.07 2jn3 n GLN 41 Ca -0.21 -3.95 -0.29 0.00 0.07 0.00 0.00 57.00 52.62 2jn3 n GLN 41 Cb 0.52 -1.87 0.15 0.00 2.41 0.00 0.00 30.24 31.45 2jn3 n GLN 41 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2jn3 s GLN 42 N -1.42 1.04 -0.31 3.69 0.74 -1.26 -3.84 119.66 118.30 2jn3 s GLN 42 Ca 0.34 0.73 0.08 0.00 0.05 0.00 0.00 55.36 56.56 2jn3 s GLN 42 Cb 0.09 -1.79 0.29 0.00 1.10 0.00 0.00 33.01 32.70 2jn3 s GLN 42 CO -0.11 -2.37 1.27 1.63 -0.55 0.00 0.00 175.29 175.16 2jn3 n LYS 43 N -3.96 0.94 0.00 1.67 5.02 -1.16 -4.99 118.16 115.69 2jn3 n LYS 43 Ca 0.06 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 2jn3 n LYS 43 Cb 0.56 0.15 0.00 0.00 -0.02 0.00 0.00 35.03 35.72 2jn3 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jn3 n GLY 44 N -0.87 1.41 0.45 0.72 0.00 -1.26 -4.54 105.19 101.10 2jn3 n GLY 44 Ca -0.12 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.04 2jn3 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jn3 n ASP 45 N 0.00 1.84 -4.85 1.61 8.00 -1.26 -4.97 116.55 116.92 2jn3 n ASP 45 Ca 0.00 -1.42 -0.31 0.00 0.71 0.00 0.00 54.79 53.76 2jn3 n ASP 45 Cb 0.00 0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 2jn3 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jn3 s ASP 46 N -1.48 6.01 -0.03 -2.24 2.15 -1.26 -0.68 116.67 119.14 2jn3 s ASP 46 Ca 0.14 0.18 0.03 0.00 0.43 0.00 0.00 52.55 53.33 2jn3 s ASP 46 Cb 0.12 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 2jn3 s ASP 46 CO 0.27 0.20 -0.10 -0.36 -0.17 0.00 0.00 175.17 175.01 2jn3 s PHE 47 N -1.40 1.10 -0.27 -5.34 0.40 -0.69 -2.98 117.98 108.81 2jn3 s PHE 47 Ca 0.30 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 2jn3 s PHE 47 Cb -0.13 -0.78 0.06 0.00 0.51 0.00 0.00 43.02 42.68 2jn3 s PHE 47 CO 0.23 -0.13 -0.09 0.08 0.70 0.00 0.00 175.22 176.01 2jn3 s VAL 48 N 0.23 2.16 -0.15 -0.44 1.01 -1.25 -2.27 120.40 119.69 2jn3 s VAL 48 Ca -0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 61.98 60.21 2jn3 s VAL 48 Cb -0.10 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2jn3 s VAL 48 CO 0.01 -0.09 -0.06 -0.69 0.00 0.00 0.00 175.10 174.27 2jn3 s VAL 49 N 1.09 3.73 -0.26 2.92 1.01 -0.80 -2.05 120.40 126.03 2jn3 s VAL 49 Ca -0.07 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2jn3 s VAL 49 Cb -0.20 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.64 2jn3 s VAL 49 CO -0.05 0.50 0.03 -0.89 0.00 0.00 0.00 175.10 174.69 2jn3 s THR 50 N 0.36 1.12 0.03 3.92 2.01 -0.82 -0.89 115.64 121.36 2jn3 s THR 50 Ca -0.05 -1.24 -0.19 0.00 0.31 0.00 0.00 61.69 60.51 2jn3 s THR 50 Cb -0.15 -1.65 -0.06 0.00 0.01 0.00 0.00 72.50 70.65 2jn3 s THR 50 CO 0.03 -0.39 0.56 -0.44 -0.69 0.00 0.00 174.62 173.70 2jn3 s SER 51 N 1.54 6.99 -0.18 3.53 0.01 -0.40 -2.21 113.70 122.98 2jn3 s SER 51 Ca 0.03 1.18 -0.01 0.00 1.31 0.00 0.00 55.95 58.45 2jn3 s SER 51 Cb -0.18 -2.35 0.05 0.00 0.21 0.00 0.00 66.02 63.75 2jn3 s SER 51 CO -0.14 0.20 -0.02 -0.54 0.41 0.00 0.00 173.24 173.15 2jn3 s LYS 52 N -0.66 1.18 0.48 12.44 1.02 -0.76 -0.65 119.74 132.79 2jn3 s LYS 52 Ca 0.29 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.77 2jn3 s LYS 52 Cb -0.19 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.04 2jn3 s LYS 52 CO 0.17 -0.52 0.67 0.95 -0.92 0.00 0.00 175.35 175.70 2jn3 s THR 53 N 1.67 3.11 -0.33 2.17 -4.23 0.26 -2.72 115.64 115.57 2jn3 s THR 53 Ca -0.01 -0.76 0.27 0.00 -1.18 0.00 0.00 61.69 60.02 2jn3 s THR 53 Cb -0.16 -3.12 0.31 0.00 1.34 0.00 0.00 72.50 70.87 2jn3 s THR 53 CO -0.07 -0.07 1.80 1.55 -0.54 0.00 0.00 174.62 177.29 2jn3 h PRO 54 N 0.35 0.00 0.00 3.99 0.13 -1.96 -3.11 132.00 131.40 2jn3 h PRO 54 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jn3 h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jn3 h PRO 54 CO 0.51 0.00 -1.51 -2.13 -0.23 0.00 0.00 178.00 174.64 2jn3 n ARG 55 N -2.64 0.74 -3.55 0.86 0.63 -1.26 -5.04 116.66 106.40 2jn3 n ARG 55 Ca 0.02 -0.11 -0.07 0.00 -0.92 0.00 0.00 57.85 56.77 2jn3 n ARG 55 Cb 0.33 -1.32 -0.02 0.00 0.45 0.00 0.00 32.46 31.90 2jn3 n ARG 55 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2jn3 s GLN 56 N -2.91 0.83 -0.03 -0.14 -2.07 -1.17 -5.17 119.66 108.99 2jn3 s GLN 56 Ca -0.04 -0.34 0.04 0.00 -1.82 0.00 0.00 55.36 53.20 2jn3 s GLN 56 Cb 0.10 0.36 -0.00 0.00 -1.09 0.00 0.00 33.01 32.38 2jn3 s GLN 56 CO 0.61 -0.37 -0.14 0.95 -1.32 0.00 0.00 175.29 175.02 2jn3 s THR 57 N -3.08 1.17 -0.06 3.63 -4.23 -1.26 0.89 115.64 112.70 2jn3 s THR 57 Ca 0.06 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2jn3 s THR 57 Cb -0.01 -1.01 0.02 0.00 1.34 0.00 0.00 72.50 72.84 2jn3 s THR 57 CO -0.07 0.34 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.61 2jn3 s VAL 58 N 0.07 0.67 -0.07 2.29 1.01 0.17 -4.96 120.40 119.59 2jn3 s VAL 58 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2jn3 s VAL 58 Cb -0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2jn3 s VAL 58 CO 0.01 0.27 -0.06 0.28 0.00 0.00 0.00 175.10 175.61 2jn3 s THR 59 N 1.14 3.79 0.03 3.92 -1.32 -1.26 -1.28 115.64 120.67 2jn3 s THR 59 Ca -0.07 -0.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.99 2jn3 s THR 59 Cb -0.14 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.27 2jn3 s THR 59 CO -0.01 0.60 -0.07 0.20 -2.21 0.00 0.00 174.62 173.12 2jn3 s ASN 60 N -0.77 0.77 -0.02 8.08 0.02 -0.07 -4.94 114.94 118.02 2jn3 s ASN 60 Ca 0.12 -0.45 0.00 0.00 -1.02 0.00 0.00 52.86 51.51 2jn3 s ASN 60 Cb -0.11 0.02 0.03 0.00 0.02 0.00 0.00 41.25 41.20 2jn3 s ASN 60 CO 0.02 -0.15 0.02 -0.44 0.02 0.00 0.00 177.10 176.56 2jn3 s SER 61 N -1.27 0.14 0.26 -1.22 0.01 -1.26 -1.91 113.70 108.45 2jn3 s SER 61 Ca -0.08 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.18 2jn3 s SER 61 Cb -0.08 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 2jn3 s SER 61 CO 0.00 -0.12 0.31 0.72 0.41 0.00 0.00 173.24 174.56 2jn3 s PHE 62 N 1.00 1.04 0.03 2.43 -0.12 -0.96 -4.72 117.98 116.69 2jn3 s PHE 62 Ca -0.09 -1.25 0.09 0.00 -0.05 0.00 0.00 56.93 55.63 2jn3 s PHE 62 Cb -0.12 -0.31 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 2jn3 s PHE 62 CO -0.03 -0.86 -0.26 0.99 -0.05 0.00 0.00 175.22 175.01 2jn3 s THR 63 N -3.79 2.10 -0.00 -4.49 2.01 -1.26 -1.70 115.64 108.51 2jn3 s THR 63 Ca 0.34 -1.32 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 2jn3 s THR 63 Cb 0.03 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2jn3 s THR 63 CO 0.15 0.41 1.22 -0.76 -0.69 0.00 0.00 174.62 174.96 2jn3 s LEU 64 N -1.09 4.32 0.00 4.42 1.43 0.15 -2.69 118.68 125.22 2jn3 s LEU 64 Ca 0.11 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2jn3 s LEU 64 Cb -0.10 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2jn3 s LEU 64 CO 0.01 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.65 2jn3 n GLY 65 N 3.34 0.48 3.00 -3.19 0.00 -1.18 -4.90 105.19 102.74 2jn3 n GLY 65 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2jn3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 66 N -0.94 0.45 0.03 1.61 1.02 -1.09 -5.10 119.74 115.71 2jn3 s LYS 66 Ca 0.00 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 2jn3 s LYS 66 Cb 0.00 -0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 36.93 2jn3 s LYS 66 CO 0.00 0.07 1.47 -2.00 -0.92 0.00 0.00 175.35 173.97 2jn3 s GLU 67 N -0.86 4.26 0.12 1.68 2.12 -1.26 -4.50 118.70 120.26 2jn3 s GLU 67 Ca -0.04 2.08 0.08 0.00 0.36 0.00 0.00 54.97 57.44 2jn3 s GLU 67 Cb -0.06 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2jn3 s GLU 67 CO 0.00 -0.61 -0.19 0.00 -0.54 0.00 0.00 175.26 173.91 2jn3 s ALA 68 N 2.39 1.80 0.06 6.30 0.00 -1.10 -4.92 121.76 126.29 2jn3 s ALA 68 Ca 0.67 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 2jn3 s ALA 68 Cb -0.34 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2jn3 s ALA 68 CO 0.28 0.30 0.87 -0.51 0.00 0.00 0.00 175.76 176.71 2jn3 s ASP 69 N -2.11 7.34 0.05 0.00 1.01 -1.26 -1.42 116.67 120.28 2jn3 s ASP 69 Ca 0.08 1.61 0.07 0.00 0.71 0.00 0.00 52.55 55.02 2jn3 s ASP 69 Cb -0.09 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2jn3 s ASP 69 CO 0.05 -0.05 -0.19 -0.63 0.21 0.00 0.00 175.17 174.55 2jn3 s ILE 70 N 0.11 1.54 -0.06 0.77 -1.09 0.10 -4.66 121.20 117.91 2jn3 s ILE 70 Ca 0.43 -1.19 0.06 0.00 -2.23 0.00 0.00 60.65 57.72 2jn3 s ILE 70 Cb -0.22 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.30 2jn3 s ILE 70 CO 0.26 0.13 -0.24 -0.89 -1.23 0.00 0.00 174.94 172.98 2jn3 s THR 71 N -0.85 1.95 0.47 2.92 2.01 -1.26 -1.79 115.64 119.08 2jn3 s THR 71 Ca 0.06 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 2jn3 s THR 71 Cb -0.09 -1.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 2jn3 s THR 71 CO 0.02 0.54 0.83 -0.89 -0.69 0.00 0.00 174.62 174.43 2jn3 s THR 72 N -0.11 4.80 -0.18 -0.82 2.01 0.76 -4.92 115.64 117.18 2jn3 s THR 72 Ca -0.04 0.54 0.28 0.00 0.31 0.00 0.00 61.69 62.78 2jn3 s THR 72 Cb -0.14 -3.80 0.31 0.00 0.01 0.00 0.00 72.50 68.89 2jn3 s THR 72 CO 0.04 -0.75 1.85 -0.03 -0.69 0.00 0.00 174.62 175.04 2jn3 h MET 73 N 0.62 0.00 0.00 4.92 4.05 -1.97 -2.10 114.93 120.44 2jn3 h MET 73 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2jn3 h MET 73 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2jn3 h MET 73 CO 0.63 0.00 -0.24 -3.47 0.23 0.00 0.00 176.91 174.06 2jn3 n ASP 74 N -2.61 0.38 0.00 1.39 2.03 -1.26 -4.90 116.55 111.58 2jn3 n ASP 74 Ca 0.01 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2jn3 n ASP 74 Cb 0.24 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jn3 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jn3 n GLY 75 N 1.45 1.97 3.66 0.27 0.00 -0.79 -5.10 105.19 106.64 2jn3 n GLY 75 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2jn3 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 76 N -0.72 3.80 -0.12 1.61 1.02 -1.25 -4.90 119.74 119.18 2jn3 s LYS 76 Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.62 2jn3 s LYS 76 Cb 0.00 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2jn3 s LYS 76 CO 0.00 0.37 -0.00 0.21 -0.92 0.00 0.00 175.35 175.01 2jn3 s LYS 77 N 0.09 3.37 0.01 1.68 2.20 -1.26 -0.17 119.74 125.65 2jn3 s LYS 77 Ca 0.05 -0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 54.94 2jn3 s LYS 77 Cb -0.12 -2.90 0.10 0.00 -1.51 0.00 0.00 37.83 33.40 2jn3 s LYS 77 CO 0.01 0.48 0.85 -0.48 -0.36 0.00 0.00 175.35 175.84 2jn3 s LEU 78 N -0.27 -0.41 0.03 5.43 2.34 -0.74 -5.02 118.68 120.04 2jn3 s LEU 78 Ca 0.06 0.06 0.01 0.00 0.06 0.00 0.00 54.13 54.31 2jn3 s LEU 78 Cb -0.12 2.11 -0.04 0.00 -0.56 0.00 0.00 46.19 47.58 2jn3 s LEU 78 CO 0.02 -0.65 0.08 -0.54 -1.06 0.00 0.00 176.35 174.20 2jn3 s LYS 79 N -3.00 2.99 -0.15 1.48 1.02 -1.26 0.01 119.74 120.84 2jn3 s LYS 79 Ca 0.03 -0.57 -0.13 0.00 0.02 0.00 0.00 55.97 55.32 2jn3 s LYS 79 Cb -0.01 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.54 2jn3 s LYS 79 CO -0.08 0.62 0.40 0.00 -0.92 0.00 0.00 175.35 175.36 2jn3 s THR 81 N 0.31 5.18 0.84 0.00 2.01 -1.26 -2.71 115.64 120.00 2jn3 s THR 81 Ca -0.01 -2.75 -0.14 0.00 0.31 0.00 0.00 61.69 59.10 2jn3 s THR 81 Cb -0.03 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2jn3 s THR 81 CO -0.01 -1.02 0.54 0.52 -0.69 0.00 0.00 174.62 173.97 2jn3 n VAL 82 N 3.65 0.95 -3.64 3.82 0.31 -1.26 -4.74 118.33 117.42 2jn3 n VAL 82 Ca 0.14 -0.28 -0.15 0.00 -0.01 0.00 0.00 64.34 64.04 2jn3 n VAL 82 Cb 0.44 -0.73 -0.08 0.00 -0.91 0.00 0.00 33.84 32.56 2jn3 n VAL 82 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2jn3 s HIS 83 N -2.17 -0.59 -0.47 3.52 2.46 -1.18 -3.08 115.29 113.78 2jn3 s HIS 83 Ca 0.62 1.27 -0.16 0.00 0.47 0.00 0.00 55.06 57.26 2jn3 s HIS 83 Cb -0.27 0.26 0.07 0.00 -0.13 0.00 0.00 32.58 32.51 2jn3 s HIS 83 CO 0.62 -0.42 0.40 -0.51 -2.47 0.00 0.00 174.74 172.37 2jn3 s LEU 84 N -0.38 5.62 0.12 8.88 1.02 -1.26 -0.09 118.68 132.59 2jn3 s LEU 84 Ca -0.05 -1.33 0.09 0.00 0.02 0.00 0.00 54.13 52.86 2jn3 s LEU 84 Cb -0.03 -2.19 -0.04 0.00 0.02 0.00 0.00 46.19 43.95 2jn3 s LEU 84 CO 0.04 -0.66 -0.22 0.00 0.02 0.00 0.00 176.35 175.54 2jn3 s ALA 85 N 1.67 1.97 -0.78 4.21 0.00 -0.70 -4.65 121.76 123.48 2jn3 s ALA 85 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2jn3 s ALA 85 Cb -0.24 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2jn3 s ALA 85 CO 0.07 0.38 0.00 0.09 0.00 0.00 0.00 175.76 176.30 2jn3 n ASN 86 N 0.91 -3.61 -0.49 0.00 3.02 -1.26 -0.35 115.26 113.48 2jn3 n ASN 86 Ca -0.18 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jn3 n ASN 86 Cb 0.54 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jn3 n GLY 87 N 0.15 0.95 3.64 7.41 0.00 -1.26 -5.06 105.19 111.02 2jn3 n GLY 87 Ca -0.07 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 2jn3 n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jn3 s LYS 88 N -4.77 0.62 0.50 1.61 -2.85 0.52 -4.93 119.74 110.44 2jn3 s LYS 88 Ca 0.00 0.96 -0.23 0.00 -1.00 0.00 0.00 55.97 55.69 2jn3 s LYS 88 Cb 0.00 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 2jn3 s LYS 88 CO 0.00 -0.11 1.37 -1.17 0.10 0.00 0.00 175.35 175.54 2jn3 s LEU 89 N 1.16 3.96 -0.23 2.77 0.20 -1.21 -1.72 118.68 123.62 2jn3 s LEU 89 Ca -0.06 2.78 -0.03 0.00 0.69 0.00 0.00 54.13 57.51 2jn3 s LEU 89 Cb -0.05 -4.15 0.12 0.00 -0.43 0.00 0.00 46.19 41.69 2jn3 s LEU 89 CO -0.13 -1.38 0.36 -0.69 -0.29 0.00 0.00 176.35 174.22 2jn3 s VAL 90 N -1.28 -0.57 -0.52 1.68 1.01 0.87 -2.55 120.40 119.03 2jn3 s VAL 90 Ca 0.67 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.53 2jn3 s VAL 90 Cb -0.41 -0.77 0.13 0.00 0.00 0.00 0.00 36.38 35.34 2jn3 s VAL 90 CO 0.50 -0.10 0.39 -0.89 0.00 0.00 0.00 175.10 175.00 2jn3 s THR 91 N 2.52 4.27 0.38 3.92 2.01 0.39 -3.10 115.64 126.03 2jn3 s THR 91 Ca 0.10 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.12 2jn3 s THR 91 Cb -0.15 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 2jn3 s THR 91 CO -0.15 -0.81 0.57 -1.59 -0.69 0.00 0.00 174.62 171.95 2jn3 s LYS 92 N 1.08 3.24 0.00 4.92 -2.85 -1.26 -0.82 119.74 124.04 2jn3 s LYS 92 Ca 0.08 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 2jn3 s LYS 92 Cb -0.24 -2.67 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 2jn3 s LYS 92 CO -0.02 -0.01 0.00 0.45 0.10 0.00 0.00 175.35 175.87 2jn3 n SER 93 N -1.85 0.00 -2.13 0.03 2.88 -0.76 -4.70 113.62 107.09 2jn3 n SER 93 Ca -0.02 -0.45 -0.25 0.00 -1.33 0.00 0.00 58.87 56.82 2jn3 n SER 93 Cb 0.57 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.18 2jn3 n SER 93 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jn3 n GLU 94 N 0.00 2.38 0.00 -1.46 1.02 -1.26 -4.33 120.64 117.00 2jn3 n GLU 94 Ca 0.00 -3.16 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 2jn3 n GLU 94 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 2jn3 n GLU 94 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2jn3 n LYS 95 N -1.06 0.00 0.00 3.49 2.85 -1.26 -5.14 118.16 117.03 2jn3 n LYS 95 Ca 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 2jn3 n LYS 95 Cb 1.28 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.66 2jn3 n LYS 95 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 2jn3 n PHE 96 N 0.00 0.00 -4.38 5.58 1.16 -1.26 -4.77 117.46 113.79 2jn3 n PHE 96 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.33 2jn3 n PHE 96 Cb 0.08 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.86 2jn3 n PHE 96 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2jn3 s SER 97 N 0.00 4.09 -0.08 5.98 0.01 -0.81 -1.82 113.70 121.06 2jn3 s SER 97 Ca 0.00 -1.04 -0.09 0.00 1.31 0.00 0.00 55.95 56.14 2jn3 s SER 97 Cb 0.00 -0.49 0.02 0.00 0.21 0.00 0.00 66.02 65.76 2jn3 s SER 97 CO 0.00 -0.23 0.24 -2.28 0.41 0.00 0.00 173.24 171.38 2jn3 s HIS 98 N -2.54 -0.24 -0.20 2.43 5.04 -0.00 -3.09 115.29 116.69 2jn3 s HIS 98 Ca 0.34 0.58 -0.10 0.00 -1.54 0.00 0.00 55.06 54.34 2jn3 s HIS 98 Cb 0.00 0.08 0.07 0.00 0.04 0.00 0.00 32.58 32.78 2jn3 s HIS 98 CO 0.19 -0.16 0.48 -1.21 -2.34 0.00 0.00 174.74 171.70 2jn3 s GLU 99 N -0.06 0.45 0.12 2.88 8.01 0.19 -0.46 118.70 129.84 2jn3 s GLU 99 Ca -0.02 0.93 0.04 0.00 0.01 0.00 0.00 54.97 55.94 2jn3 s GLU 99 Cb -0.02 0.09 -0.04 0.00 -4.31 0.00 0.00 34.13 29.84 2jn3 s GLU 99 CO 0.01 -0.17 -0.11 -1.14 0.01 0.00 0.00 175.26 173.86 2jn3 s GLN 100 N 1.67 0.97 0.04 1.61 0.74 -1.06 0.35 119.66 123.97 2jn3 s GLN 100 Ca -0.08 -1.30 -0.23 0.00 0.05 0.00 0.00 55.36 53.80 2jn3 s GLN 100 Cb -0.08 -0.62 0.05 0.00 1.10 0.00 0.00 33.01 33.46 2jn3 s GLN 100 CO -0.14 0.09 0.52 -2.00 -0.55 0.00 0.00 175.29 173.21 2jn3 s GLU 101 N -3.22 1.02 0.01 1.67 2.12 0.35 -3.31 118.70 117.34 2jn3 s GLU 101 Ca 0.11 -0.20 0.07 0.00 0.36 0.00 0.00 54.97 55.31 2jn3 s GLU 101 Cb -0.01 0.47 -0.03 0.00 0.26 0.00 0.00 34.13 34.83 2jn3 s GLU 101 CO 0.01 -0.36 -0.22 0.54 -0.54 0.00 0.00 175.26 174.68 2jn3 s VAL 102 N -2.33 2.43 -0.34 3.70 0.11 -1.26 -0.51 120.40 122.20 2jn3 s VAL 102 Ca -0.06 -1.15 -0.01 0.00 -2.93 0.00 0.00 61.98 57.83 2jn3 s VAL 102 Cb -0.01 -1.94 0.12 0.00 -1.53 0.00 0.00 36.38 33.02 2jn3 s VAL 102 CO -0.01 0.46 0.17 -0.54 -3.33 0.00 0.00 175.10 171.85 2jn3 s LYS 103 N -1.02 0.59 5.88 1.54 -0.14 -0.51 -4.81 119.74 121.27 2jn3 s LYS 103 Ca 0.12 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.59 2jn3 s LYS 103 Cb -0.10 -1.56 0.00 0.00 -1.68 0.00 0.00 37.83 34.49 2jn3 s LYS 103 CO 0.02 -1.10 0.00 0.41 -0.76 0.00 0.00 175.35 173.92 2jn3 n GLY 104 N 4.50 1.69 0.42 -3.33 0.00 -1.26 -3.11 105.19 104.10 2jn3 n GLY 104 Ca 0.03 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.78 2jn3 n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jn3 n ASN 105 N 9.48 2.73 -4.47 1.61 6.94 -1.26 -4.69 115.26 125.59 2jn3 n ASN 105 Ca 0.00 -2.28 -0.25 0.00 -0.02 0.00 0.00 54.58 52.03 2jn3 n ASN 105 Cb 0.00 -0.23 -0.10 0.00 -2.36 0.00 0.00 39.78 37.09 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2jn3 s GLU 106 N -1.49 1.69 -0.01 -3.83 2.02 -1.18 -2.11 118.70 113.79 2jn3 s GLU 106 Ca 0.20 -1.64 0.05 0.00 0.02 0.00 0.00 54.97 53.60 2jn3 s GLU 106 Cb 0.13 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.51 2jn3 s GLU 106 CO 0.08 0.36 -0.16 1.41 0.02 0.00 0.00 175.26 176.98 2jn3 s MET 107 N -3.21 1.26 -0.10 1.61 -2.45 0.44 -1.42 119.30 115.42 2jn3 s MET 107 Ca 0.27 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 54.13 2jn3 s MET 107 Cb -0.06 -1.22 0.02 0.00 1.25 0.00 0.00 34.83 34.81 2jn3 s MET 107 CO 0.14 0.33 -0.12 0.08 1.05 0.00 0.00 175.02 176.50 2jn3 s VAL 108 N -0.41 1.26 -0.25 10.11 1.01 0.33 0.83 120.40 133.27 2jn3 s VAL 108 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2jn3 s VAL 108 Cb -0.06 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 2jn3 s VAL 108 CO -0.00 0.40 0.03 -1.61 0.00 0.00 0.00 175.10 173.91 2jn3 s GLU 109 N 1.17 3.35 -0.25 2.72 2.02 0.19 -0.49 118.70 127.41 2jn3 s GLU 109 Ca -0.04 -0.67 -0.06 0.00 0.02 0.00 0.00 54.97 54.22 2jn3 s GLU 109 Cb -0.14 -3.21 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 2jn3 s GLU 109 CO -0.03 -0.28 0.03 0.99 0.02 0.00 0.00 175.26 176.00 2jn3 s THR 110 N 1.52 3.89 -0.05 3.63 2.01 1.06 -0.48 115.64 127.22 2jn3 s THR 110 Ca 0.05 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.66 2jn3 s THR 110 Cb -0.15 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.51 2jn3 s THR 110 CO 0.00 0.30 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.46 2jn3 s ILE 111 N 1.54 1.24 -0.08 1.82 1.01 -0.86 0.57 121.20 126.44 2jn3 s ILE 111 Ca 0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 2jn3 s ILE 111 Cb -0.15 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 2jn3 s ILE 111 CO 0.01 0.37 -0.03 -0.89 0.00 0.00 0.00 174.94 174.40 2jn3 s THR 112 N 0.36 4.03 -0.29 2.92 2.01 -1.18 -0.30 115.64 123.20 2jn3 s THR 112 Ca -0.10 -0.35 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 2jn3 s THR 112 Cb -0.13 -2.68 0.10 0.00 0.01 0.00 0.00 72.50 69.80 2jn3 s THR 112 CO 0.03 0.60 0.72 0.12 -0.69 0.00 0.00 174.62 175.39 2jn3 s PHE 113 N -0.80 -1.08 -1.03 4.92 2.19 0.19 -1.93 117.98 120.44 2jn3 s PHE 113 Ca 0.12 2.07 -0.06 0.00 0.33 0.00 0.00 56.93 59.39 2jn3 s PHE 113 Cb -0.11 0.65 0.01 0.00 -1.31 0.00 0.00 43.02 42.25 2jn3 s PHE 113 CO 0.02 -0.54 0.74 0.41 1.83 0.00 0.00 175.22 177.68 2jn3 n GLY 114 N 4.58 -0.15 2.55 13.12 0.00 -1.26 -1.51 105.19 122.51 2jn3 n GLY 114 Ca -0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 2jn3 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jn3 n GLY 115 N -1.52 0.47 3.45 -0.02 0.00 -1.26 -4.97 105.19 101.33 2jn3 n GLY 115 Ca -0.02 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2jn3 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jn3 s VAL 116 N -1.64 2.99 -0.11 1.61 1.01 -0.57 -5.11 120.40 118.56 2jn3 s VAL 116 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2jn3 s VAL 116 Cb 0.00 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 2jn3 s VAL 116 CO 0.00 0.58 -0.15 -0.89 0.00 0.00 0.00 175.10 174.64 2jn3 s THR 117 N -0.54 2.90 0.12 3.92 2.01 -1.26 0.55 115.64 123.33 2jn3 s THR 117 Ca 0.07 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.41 2jn3 s THR 117 Cb -0.12 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2jn3 s THR 117 CO 0.01 0.54 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.21 2jn3 s LEU 118 N 0.19 3.21 -0.39 4.42 2.96 0.59 -4.89 118.68 124.77 2jn3 s LEU 118 Ca -0.09 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2jn3 s LEU 118 Cb -0.15 -1.96 0.12 0.00 0.50 0.00 0.00 46.19 44.70 2jn3 s LEU 118 CO 0.05 0.16 0.18 -0.63 -1.32 0.00 0.00 176.35 174.79 2jn3 s ILE 119 N -1.36 1.33 -0.18 6.68 1.01 -1.26 -2.03 121.20 125.39 2jn3 s ILE 119 Ca 0.24 -2.17 -0.23 0.00 0.00 0.00 0.00 60.65 58.49 2jn3 s ILE 119 Cb -0.11 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 2jn3 s ILE 119 CO 0.16 -0.80 0.71 -0.13 0.00 0.00 0.00 174.94 174.88 2jn3 s ARG 120 N 0.81 4.26 -0.22 2.79 0.52 0.37 -3.72 118.95 123.76 2jn3 s ARG 120 Ca 0.14 0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 56.06 2jn3 s ARG 120 Cb -0.22 -3.56 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 2jn3 s ARG 120 CO -0.09 -0.24 0.07 1.03 0.02 0.00 0.00 175.30 176.09 2jn3 s ARG 121 N 1.90 3.83 0.14 3.54 0.52 -0.55 0.57 118.95 128.89 2jn3 s ARG 121 Ca 0.33 -0.41 0.09 0.00 -0.52 0.00 0.00 55.73 55.22 2jn3 s ARG 121 Cb -0.16 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 2jn3 s ARG 121 CO 0.12 0.05 -0.20 -1.12 0.02 0.00 0.00 175.30 174.16 2jn3 s SER 122 N 0.98 2.74 0.21 0.23 0.01 0.24 -2.26 113.70 115.85 2jn3 s SER 122 Ca 0.04 -0.79 0.10 0.00 1.31 0.00 0.00 55.95 56.60 2jn3 s SER 122 Cb -0.14 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2jn3 s SER 122 CO 0.03 0.03 -0.11 -0.75 0.41 0.00 0.00 173.24 172.85 2jn3 s LYS 123 N -2.42 2.00 0.11 12.44 2.20 -0.92 0.17 119.74 133.31 2jn3 s LYS 123 Ca 0.13 -1.38 -0.27 0.00 -0.36 0.00 0.00 55.97 54.08 2jn3 s LYS 123 Cb -0.08 -2.08 -0.06 0.00 -1.51 0.00 0.00 37.83 34.10 2jn3 s LYS 123 CO 0.06 0.40 0.85 0.50 -0.36 0.00 0.00 175.35 176.80 2jn3 s ARG 124 N -3.05 4.61 0.00 4.03 3.52 -0.90 -1.09 118.95 126.07 2jn3 s ARG 124 Ca 0.26 1.25 0.19 0.00 -0.13 0.00 0.00 55.73 57.30 2jn3 s ARG 124 Cb -0.08 -3.34 0.15 0.00 -1.56 0.00 0.00 34.95 30.12 2jn3 s ARG 124 CO 0.15 0.33 1.10 0.28 -0.81 0.00 0.00 175.30 176.35