#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 0.18 -3.60 0.00 -1.00 -1.97 -3.45 116.94 107.10 2jn3 h PHE 2 Ca 0.00 -0.10 -0.56 0.00 2.81 0.00 0.00 57.97 60.11 2jn3 h PHE 2 Cb 0.00 -0.02 0.14 0.00 3.61 0.00 0.00 35.95 39.68 2jn3 h PHE 2 CO 0.00 0.93 0.39 0.43 -1.61 0.00 0.00 178.31 178.45 2jn3 n SER 3 N -3.61 2.02 0.00 2.17 7.64 -1.26 -4.60 113.62 115.97 2jn3 n SER 3 Ca -0.02 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.86 2jn3 n SER 3 Cb 0.81 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 0.95 0.77 3.58 0.23 0.00 0.25 -4.93 105.19 106.05 2jn3 n GLY 4 Ca 0.09 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.88 4.35 0.02 2.61 2.01 -1.26 -1.17 115.64 121.32 2jn3 s THR 5 Ca 0.00 -0.20 0.09 0.00 0.31 0.00 0.00 61.69 61.89 2jn3 s THR 5 Cb 0.00 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 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 0.19 2.35 -0.14 4.92 0.52 -0.71 -2.25 118.94 123.83 2jn3 s TRP 6 Ca 0.01 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.74 2jn3 s TRP 6 Cb -0.13 -1.44 0.02 0.00 -1.15 0.00 0.00 33.47 30.77 2jn3 s TRP 6 CO 0.02 0.08 -0.15 -1.14 0.02 0.00 0.00 176.95 175.77 2jn3 s GLN 7 N -1.03 2.35 0.13 4.98 0.74 -0.08 -1.58 119.66 125.18 2jn3 s GLN 7 Ca 0.11 -0.59 -0.31 0.00 0.05 0.00 0.00 55.36 54.62 2jn3 s GLN 7 Cb -0.10 -2.08 -0.10 0.00 1.10 0.00 0.00 33.01 31.83 2jn3 s GLN 7 CO 0.01 -0.16 1.67 0.08 -0.55 0.00 0.00 175.29 176.34 2jn3 s VAL 8 N 1.27 2.68 0.00 1.34 1.01 -1.26 -1.80 120.40 123.64 2jn3 s VAL 8 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2jn3 s VAL 8 Cb -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2jn3 s VAL 8 CO -0.07 0.01 0.29 0.00 0.00 0.00 0.00 175.10 175.33 2jn3 n TYR 9 N 4.92 0.00 -3.62 5.22 4.11 -0.79 -4.85 117.16 122.16 2jn3 n TYR 9 Ca 0.16 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.90 57.98 2jn3 n TYR 9 Cb 0.39 -0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.66 2jn3 n TYR 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jn3 s ALA 10 N -0.08 -2.14 -0.09 -3.48 0.00 -1.21 -5.03 121.76 109.73 2jn3 s ALA 10 Ca 0.00 2.29 -0.04 0.00 0.00 0.00 0.00 51.96 54.22 2jn3 s ALA 10 Cb 0.00 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.53 2jn3 s ALA 10 CO 0.00 -0.48 0.18 1.14 0.00 0.00 0.00 175.76 176.60 2jn3 s GLN 11 N 1.73 0.05 -0.03 0.00 -2.07 -1.26 -0.87 119.66 117.21 2jn3 s GLN 11 Ca -0.08 0.58 -0.04 0.00 -1.82 0.00 0.00 55.36 53.99 2jn3 s GLN 11 Cb -0.05 -0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 31.60 2jn3 s GLN 11 CO -0.18 -0.29 0.18 -2.00 -1.32 0.00 0.00 175.29 171.68 2jn3 s GLU 12 N 2.23 3.45 -1.29 9.60 2.12 -1.24 -4.20 118.70 129.37 2jn3 s GLU 12 Ca 0.02 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.09 2jn3 s GLU 12 Cb -0.12 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2jn3 s GLU 12 CO -0.06 0.70 0.00 0.09 -0.54 0.00 0.00 175.26 175.45 2jn3 n ASN 13 N 1.19 -5.22 -0.16 -1.70 5.03 -1.26 -3.99 115.26 109.14 2jn3 n ASN 13 Ca -0.13 0.30 -0.02 0.00 0.87 0.00 0.00 54.58 55.60 2jn3 n ASN 13 Cb 0.53 -4.05 0.07 0.00 -1.02 0.00 0.00 39.78 35.31 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 -0.17 3.10 3.20 -1.94 0.46 116.97 121.74 2jn3 h TYR 14 Ca -0.25 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 2jn3 h TYR 14 Cb 1.13 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2jn3 h TYR 14 CO 0.55 -0.03 0.03 0.93 -1.64 0.00 0.00 178.16 178.00 2jn3 h GLU 15 N 0.21 0.28 0.65 1.82 5.08 -1.92 -1.94 114.58 118.76 2jn3 h GLU 15 Ca 0.26 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2jn3 h GLU 15 Cb 0.36 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jn3 h GLU 15 CO -0.35 0.45 -0.50 0.93 -1.00 0.00 0.00 179.01 178.54 2jn3 h GLU 16 N 0.07 -1.06 -0.26 2.33 5.08 -1.78 0.62 114.58 119.58 2jn3 h GLU 16 Ca 0.05 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2jn3 h GLU 16 Cb 0.30 0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 2jn3 h GLU 16 CO 0.00 -0.71 -0.33 0.35 -1.00 0.00 0.00 179.01 177.32 2jn3 h PHE 17 N -1.10 -0.93 -0.40 4.33 3.04 -0.97 -1.49 116.94 119.43 2jn3 h PHE 17 Ca -0.09 0.05 0.08 0.00 3.98 0.00 0.00 57.97 61.99 2jn3 h PHE 17 Cb 0.92 0.45 -0.07 0.00 2.56 0.00 0.00 35.95 39.80 2jn3 h PHE 17 CO -0.18 -0.40 -0.06 -0.07 -2.02 0.00 0.00 178.31 175.59 2jn3 h LEU 18 N -0.33 -0.28 -1.00 0.59 3.38 -1.19 -0.55 115.31 115.93 2jn3 h LEU 18 Ca 0.13 0.11 0.37 0.00 0.09 0.00 0.00 57.88 58.57 2jn3 h LEU 18 Cb 0.55 0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.35 2jn3 h LEU 18 CO -0.45 -0.10 0.54 0.11 0.09 0.00 0.00 178.44 178.64 2jn3 h LYS 19 N 0.04 0.16 0.00 1.13 1.57 0.22 2.09 116.57 121.78 2jn3 h LYS 19 Ca 0.19 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2jn3 h LYS 19 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2jn3 h LYS 19 CO -0.37 0.11 -0.24 0.00 -0.57 0.00 0.00 179.45 178.37 2jn3 h ALA 20 N 1.92 1.15 0.00 3.86 0.00 -0.91 -2.59 119.26 122.69 2jn3 h ALA 20 Ca 0.78 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2jn3 h ALA 20 Cb 1.93 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2jn3 h ALA 20 CO -0.69 0.31 0.05 -0.07 0.00 0.00 0.00 179.25 178.84 2jn3 h LEU 21 N 0.00 0.00 0.38 0.00 -0.00 0.35 -3.44 115.31 112.60 2jn3 h LEU 21 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2jn3 h LEU 21 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.27 2jn3 h LEU 21 CO 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 178.44 178.39 2jn3 n ALA 22 N -2.00 -0.09 -1.56 1.53 0.00 -0.98 -5.02 120.51 112.40 2jn3 n ALA 22 Ca -0.03 0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2jn3 n ALA 22 Cb 0.11 -0.80 0.12 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.99 2.23 0.25 0.00 1.43 -1.26 -5.00 118.68 115.33 2jn3 s LEU 23 Ca 0.00 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.88 2jn3 s LEU 23 Cb 0.00 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 2jn3 s LEU 23 CO 0.00 -2.33 1.16 -2.16 0.23 0.00 0.00 176.35 173.24 2jn3 s PRO 24 N -5.25 4.56 0.22 1.29 0.04 -1.26 -4.92 135.00 129.68 2jn3 s PRO 24 Ca 0.63 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 63.46 2jn3 s PRO 24 Cb -0.14 -3.20 0.33 0.00 0.04 0.00 0.00 34.50 31.52 2jn3 s PRO 24 CO 0.53 0.06 1.77 0.93 0.04 0.00 0.00 177.00 180.33 2jn3 h GLU 25 N 4.33 0.53 -0.33 4.56 4.39 -1.99 0.16 114.58 126.23 2jn3 h GLU 25 Ca -0.46 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.30 2jn3 h GLU 25 Cb 1.21 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2jn3 h GLU 25 CO 0.70 0.35 0.39 -0.44 -1.16 0.00 0.00 179.01 178.84 2jn3 h ASP 26 N 0.55 0.00 0.77 1.42 3.32 -2.00 0.21 116.42 120.69 2jn3 h ASP 26 Ca 0.34 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.28 2jn3 h ASP 26 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2jn3 h ASP 26 CO -0.28 0.00 -1.31 -0.11 -1.72 0.00 0.00 179.24 175.82 2jn3 n LEU 27 N -3.67 0.84 0.00 1.55 7.94 0.51 -3.36 117.00 120.80 2jn3 n LEU 27 Ca 0.05 0.35 -0.18 0.00 -1.11 0.00 0.00 56.01 55.13 2jn3 n LEU 27 Cb 0.54 0.04 -0.10 0.00 0.53 0.00 0.00 43.42 44.43 2jn3 n LEU 27 CO 0.26 0.04 0.24 0.40 -1.11 0.00 0.00 177.39 177.23 2jn3 h ILE 28 N 0.00 1.35 0.00 1.96 2.04 0.10 0.01 117.51 122.97 2jn3 h ILE 28 Ca -0.11 -2.03 -0.01 0.00 1.00 0.00 0.00 64.86 63.70 2jn3 h ILE 28 Cb 1.40 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2jn3 h ILE 28 CO 0.03 0.62 -0.04 0.07 0.00 0.00 0.00 178.15 178.82 2jn3 h LYS 29 N 0.19 0.00 0.00 2.37 2.10 -1.52 0.61 116.57 120.32 2jn3 h LYS 29 Ca -0.07 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.35 2jn3 h LYS 29 Cb 1.38 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.67 2jn3 h LYS 29 CO 0.14 0.04 -1.73 -1.33 -2.00 0.00 0.00 179.45 174.58 2jn3 n MET 30 N -3.13 0.64 -0.12 0.07 2.81 -1.20 -4.13 117.12 112.06 2jn3 n MET 30 Ca 0.02 0.16 0.09 0.00 -1.81 0.00 0.00 57.70 56.15 2jn3 n MET 30 Cb 0.43 -1.72 0.14 0.00 -0.71 0.00 0.00 33.22 31.37 2jn3 n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jn3 n ALA 31 N -2.49 2.38 1.24 3.04 0.00 -0.01 -4.40 120.51 120.27 2jn3 n ALA 31 Ca -0.16 -0.90 0.06 0.00 0.00 0.00 0.00 53.44 52.45 2jn3 n ALA 31 Cb 0.93 -0.62 0.38 0.00 0.00 0.00 0.00 19.45 20.14 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 1.01 0.62 -2.70 0.00 1.85 0.20 -3.39 116.66 114.25 2jn3 n ARG 32 Ca 0.13 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.93 2jn3 n ARG 32 Cb 0.47 -1.32 0.10 0.00 -1.05 0.00 0.00 32.46 30.66 2jn3 n ARG 32 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2jn3 n ASP 33 N -0.82 -0.88 -4.08 2.89 -0.08 -1.26 -5.00 116.55 107.32 2jn3 n ASP 33 Ca 0.09 -2.43 -0.32 0.00 -1.51 0.00 0.00 54.79 50.63 2jn3 n ASP 33 Cb 0.04 0.53 -0.16 0.00 2.34 0.00 0.00 41.12 43.87 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jn3 s ILE 34 N -0.79 1.97 -1.13 5.18 1.01 -1.22 -5.05 121.20 121.17 2jn3 s ILE 34 Ca 0.21 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 2jn3 s ILE 34 Cb 0.42 -1.88 0.18 0.00 0.01 0.00 0.00 42.46 41.19 2jn3 s ILE 34 CO -0.07 0.37 1.31 -0.54 0.00 0.00 0.00 174.94 176.01 2jn3 s LYS 35 N 1.29 3.99 0.13 2.79 3.01 -1.26 -5.00 119.74 124.70 2jn3 s LYS 35 Ca 0.01 -2.50 -0.30 0.00 -1.01 0.00 0.00 55.97 52.17 2jn3 s LYS 35 Cb -0.15 -4.95 -0.07 0.00 -1.01 0.00 0.00 37.83 31.65 2jn3 s LYS 35 CO -0.10 -1.69 1.21 -1.25 0.51 0.00 0.00 175.35 174.03 2jn3 s PRO 36 N 1.39 4.46 0.60 -1.68 0.04 -1.26 -4.75 135.00 133.80 2jn3 s PRO 36 Ca 0.38 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 63.18 2jn3 s PRO 36 Cb -0.04 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2jn3 s PRO 36 CO -0.03 -0.17 0.96 0.42 0.04 0.00 0.00 177.00 178.22 2jn3 s ILE 37 N 0.43 4.16 -0.09 0.56 1.01 -1.13 -4.07 121.20 122.07 2jn3 s ILE 37 Ca 0.56 0.40 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 2jn3 s ILE 37 Cb -0.32 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.54 2jn3 s ILE 37 CO 0.33 -0.77 0.09 -0.69 0.00 0.00 0.00 174.94 173.90 2jn3 s VAL 38 N -3.08 -0.13 -0.11 2.92 1.01 -0.61 -2.12 120.40 118.27 2jn3 s VAL 38 Ca 0.54 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2jn3 s VAL 38 Cb -0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 2jn3 s VAL 38 CO 0.49 0.02 0.25 -0.70 0.00 0.00 0.00 175.10 175.16 2jn3 s GLU 39 N 2.18 3.88 -0.07 2.72 2.12 -1.04 -1.74 118.70 126.76 2jn3 s GLU 39 Ca 0.04 0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.47 2jn3 s GLU 39 Cb -0.13 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.96 2jn3 s GLU 39 CO -0.06 0.55 -0.20 0.42 -0.54 0.00 0.00 175.26 175.43 2jn3 s ILE 40 N -0.45 1.68 -0.46 -3.70 -1.09 -0.32 -2.02 121.20 114.84 2jn3 s ILE 40 Ca 0.17 -0.83 0.09 0.00 -2.23 0.00 0.00 60.65 57.85 2jn3 s ILE 40 Cb -0.13 -1.45 0.32 0.00 -1.58 0.00 0.00 42.46 39.61 2jn3 s ILE 40 CO 0.06 0.47 0.75 1.67 -1.23 0.00 0.00 174.94 176.66 2jn3 n GLN 41 N 3.34 1.68 -0.56 2.79 7.27 -1.00 -0.58 117.38 130.32 2jn3 n GLN 41 Ca -0.19 -3.88 -0.30 0.00 0.07 0.00 0.00 57.00 52.70 2jn3 n GLN 41 Cb 0.53 -1.81 0.22 0.00 2.41 0.00 0.00 30.24 31.59 2jn3 n GLN 41 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2jn3 n GLN 42 N 0.44 -1.72 -2.11 3.69 7.27 -1.26 -4.03 117.38 119.66 2jn3 n GLN 42 Ca 0.26 -0.46 -0.03 0.00 0.07 0.00 0.00 57.00 56.85 2jn3 n GLN 42 Cb 0.54 -2.20 0.07 0.00 2.41 0.00 0.00 30.24 31.05 2jn3 n GLN 42 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2jn3 n LYS 43 N -4.49 0.87 0.00 3.69 5.02 -1.16 -4.97 118.16 117.11 2jn3 n LYS 43 Ca 0.06 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.40 2jn3 n LYS 43 Cb 0.54 0.38 0.00 0.00 -0.02 0.00 0.00 35.03 35.93 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 -0.99 1.48 0.09 0.72 0.00 -1.26 -4.66 105.19 100.57 2jn3 n GLY 44 Ca -0.16 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.21 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 0.73 -4.89 1.61 8.00 -1.26 -5.00 116.55 115.73 2jn3 n ASP 45 Ca 0.00 -0.86 -0.23 0.00 0.71 0.00 0.00 54.79 54.40 2jn3 n ASP 45 Cb 0.00 0.75 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 2jn3 n ASP 45 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jn3 s ASP 46 N -1.51 5.97 -0.00 -2.24 1.01 -1.26 0.21 116.67 118.85 2jn3 s ASP 46 Ca 0.05 -0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.29 2jn3 s ASP 46 Cb 0.06 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.32 2jn3 s ASP 46 CO 0.28 -0.00 -0.02 -0.36 0.21 0.00 0.00 175.17 175.27 2jn3 s PHE 47 N -1.91 0.17 -0.33 4.23 0.40 -0.72 -3.00 117.98 116.82 2jn3 s PHE 47 Ca 0.33 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.64 2jn3 s PHE 47 Cb -0.09 -0.12 0.08 0.00 0.51 0.00 0.00 43.02 43.40 2jn3 s PHE 47 CO 0.27 -0.01 0.04 0.08 0.70 0.00 0.00 175.22 176.30 2jn3 s VAL 48 N 0.01 2.66 -0.19 -0.44 1.01 -1.26 -2.71 120.40 119.47 2jn3 s VAL 48 Ca 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 61.98 59.98 2jn3 s VAL 48 Cb -0.01 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2jn3 s VAL 48 CO -0.00 -0.40 0.06 -0.69 0.00 0.00 0.00 175.10 174.07 2jn3 s VAL 49 N 1.08 4.70 -0.31 2.92 1.01 -0.56 -2.38 120.40 126.86 2jn3 s VAL 49 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 2jn3 s VAL 49 Cb -0.20 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.15 2jn3 s VAL 49 CO -0.05 0.44 0.09 -0.89 0.00 0.00 0.00 175.10 174.69 2jn3 s THR 50 N 0.58 1.04 0.18 3.92 2.01 -0.86 -0.02 115.64 122.49 2jn3 s THR 50 Ca 0.03 -1.50 -0.26 0.00 0.31 0.00 0.00 61.69 60.28 2jn3 s THR 50 Cb -0.13 -1.78 -0.08 0.00 0.01 0.00 0.00 72.50 70.52 2jn3 s THR 50 CO 0.01 -0.65 0.79 -0.44 -0.69 0.00 0.00 174.62 173.64 2jn3 s SER 51 N 1.53 7.41 -0.23 3.53 0.01 -0.07 -2.50 113.70 123.38 2jn3 s SER 51 Ca 0.10 1.67 -0.02 0.00 1.31 0.00 0.00 55.95 59.01 2jn3 s SER 51 Cb -0.17 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.62 2jn3 s SER 51 CO -0.23 0.20 0.03 -0.54 0.41 0.00 0.00 173.24 173.12 2jn3 s LYS 52 N -1.18 0.86 0.50 12.44 1.02 -0.90 -1.24 119.74 131.24 2jn3 s LYS 52 Ca 0.37 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.67 2jn3 s LYS 52 Cb -0.23 -2.17 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 2jn3 s LYS 52 CO 0.27 -0.72 0.72 0.95 -0.92 0.00 0.00 175.35 175.64 2jn3 s THR 53 N 1.71 3.14 0.26 2.17 -4.23 0.27 -2.82 115.64 116.14 2jn3 s THR 53 Ca 0.01 -0.65 0.10 0.00 -1.18 0.00 0.00 61.69 59.97 2jn3 s THR 53 Cb -0.17 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 2jn3 s THR 53 CO -0.12 -0.11 1.59 1.55 -0.54 0.00 0.00 174.62 176.99 2jn3 h PRO 54 N 0.24 0.00 0.00 3.99 0.13 -1.98 -3.20 132.00 131.18 2jn3 h PRO 54 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2jn3 h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jn3 h PRO 54 CO 0.53 0.64 -1.64 -2.13 -0.23 0.00 0.00 178.00 175.17 2jn3 n ARG 55 N -3.76 0.64 -3.81 0.86 0.63 -1.26 -5.01 116.66 104.95 2jn3 n ARG 55 Ca -0.01 -0.01 -0.06 0.00 -0.92 0.00 0.00 57.85 56.85 2jn3 n ARG 55 Cb 0.64 -1.66 -0.02 0.00 0.45 0.00 0.00 32.46 31.87 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 -3.26 1.55 -0.06 -0.14 -2.07 -1.21 -5.16 119.66 109.31 2jn3 s GLN 56 Ca -0.05 -0.85 -0.00 0.00 -1.82 0.00 0.00 55.36 52.64 2jn3 s GLN 56 Cb 0.11 0.53 0.02 0.00 -1.09 0.00 0.00 33.01 32.59 2jn3 s GLN 56 CO 0.85 -0.71 -0.03 0.95 -1.32 0.00 0.00 175.29 175.03 2jn3 s THR 57 N -3.68 0.49 -0.12 3.63 -4.23 -1.26 0.94 115.64 111.41 2jn3 s THR 57 Ca 0.11 -0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.62 2jn3 s THR 57 Cb -0.04 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.23 2jn3 s THR 57 CO 0.05 0.25 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.50 2jn3 s VAL 58 N 1.42 1.71 0.08 2.29 1.01 -0.37 -4.94 120.40 121.60 2jn3 s VAL 58 Ca -0.03 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.23 2jn3 s VAL 58 Cb -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2jn3 s VAL 58 CO -0.03 0.48 -0.10 -0.89 0.00 0.00 0.00 175.10 174.56 2jn3 s THR 59 N 0.86 3.35 -0.01 3.92 2.01 -1.26 -0.89 115.64 123.62 2jn3 s THR 59 Ca -0.08 -1.16 -0.06 0.00 0.31 0.00 0.00 61.69 60.70 2jn3 s THR 59 Cb -0.15 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2jn3 s THR 59 CO -0.01 0.20 0.12 0.20 -0.69 0.00 0.00 174.62 174.44 2jn3 s ASN 60 N -1.95 0.01 -0.00 3.53 0.02 0.97 -4.86 114.94 112.66 2jn3 s ASN 60 Ca 0.20 -0.13 0.00 0.00 -1.02 0.00 0.00 52.86 51.91 2jn3 s ASN 60 Cb -0.11 0.21 -0.00 0.00 0.02 0.00 0.00 41.25 41.37 2jn3 s ASN 60 CO 0.11 -0.28 -0.01 -0.55 0.02 0.00 0.00 177.10 176.39 2jn3 s SER 61 N -1.04 0.17 0.20 -1.22 0.15 -1.26 -1.50 113.70 109.19 2jn3 s SER 61 Ca -0.11 -0.03 -0.13 0.00 0.70 0.00 0.00 55.95 56.37 2jn3 s SER 61 Cb -0.06 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 2jn3 s SER 61 CO 0.01 0.01 0.43 0.72 1.20 0.00 0.00 173.24 175.61 2jn3 s PHE 62 N -0.05 0.18 0.15 3.44 -0.12 -1.10 -4.66 117.98 115.82 2jn3 s PHE 62 Ca 0.00 -0.54 0.09 0.00 -0.05 0.00 0.00 56.93 56.44 2jn3 s PHE 62 Cb -0.01 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2jn3 s PHE 62 CO -0.00 -0.87 -0.16 0.99 -0.05 0.00 0.00 175.22 175.13 2jn3 s THR 63 N -3.94 2.88 -0.14 -4.49 2.01 -1.26 -1.75 115.64 108.94 2jn3 s THR 63 Ca 0.15 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.21 2jn3 s THR 63 Cb 0.01 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2jn3 s THR 63 CO 0.01 -0.01 1.09 -0.22 -0.69 0.00 0.00 174.62 174.80 2jn3 s LEU 64 N -2.47 4.20 0.00 4.42 2.96 0.13 -3.03 118.68 124.89 2jn3 s LEU 64 Ca 0.21 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 2jn3 s LEU 64 Cb -0.09 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.05 2jn3 s LEU 64 CO 0.12 -0.59 0.00 0.61 -1.32 0.00 0.00 176.35 175.17 2jn3 n GLY 65 N 3.29 0.82 3.02 7.98 0.00 -1.19 -4.93 105.19 114.18 2jn3 n GLY 65 Ca 0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.66 0.17 0.02 1.61 1.02 -1.17 -5.11 119.74 115.61 2jn3 s LYS 66 Ca 0.00 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 2jn3 s LYS 66 Cb 0.00 -0.00 -0.07 0.00 -0.52 0.00 0.00 37.83 37.24 2jn3 s LYS 66 CO 0.00 -0.08 1.64 -2.00 -0.92 0.00 0.00 175.35 173.99 2jn3 s GLU 67 N 0.52 4.20 0.12 1.68 2.12 -1.26 -4.44 118.70 121.65 2jn3 s GLU 67 Ca -0.04 2.25 0.09 0.00 0.36 0.00 0.00 54.97 57.64 2jn3 s GLU 67 Cb -0.05 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.55 2jn3 s GLU 67 CO -0.03 -0.76 -0.23 0.00 -0.54 0.00 0.00 175.26 173.70 2jn3 s ALA 68 N 3.18 2.05 0.01 6.30 0.00 -1.21 -4.95 121.76 127.15 2jn3 s ALA 68 Ca 0.73 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 2jn3 s ALA 68 Cb -0.37 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 2jn3 s ALA 68 CO 0.31 0.42 0.81 -0.51 0.00 0.00 0.00 175.76 176.78 2jn3 s ASP 69 N -2.05 7.21 0.07 0.00 1.01 -1.26 -1.71 116.67 119.94 2jn3 s ASP 69 Ca 0.10 1.45 0.09 0.00 0.71 0.00 0.00 52.55 54.90 2jn3 s ASP 69 Cb -0.10 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 2jn3 s ASP 69 CO 0.05 -0.07 -0.24 -0.63 0.21 0.00 0.00 175.17 174.48 2jn3 s ILE 70 N 0.36 1.99 -0.04 0.77 -1.09 0.49 -4.66 121.20 119.02 2jn3 s ILE 70 Ca 0.41 -1.43 0.06 0.00 -2.23 0.00 0.00 60.65 57.46 2jn3 s ILE 70 Cb -0.20 -1.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.94 2jn3 s ILE 70 CO 0.23 0.22 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.06 2jn3 s THR 71 N -0.90 1.68 0.46 2.92 2.01 -1.26 -1.95 115.64 118.60 2jn3 s THR 71 Ca 0.10 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 2jn3 s THR 71 Cb -0.10 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2jn3 s THR 71 CO 0.03 0.48 0.71 0.42 -0.69 0.00 0.00 174.62 175.57 2jn3 s THR 72 N -0.21 4.35 -0.95 -0.82 -4.23 -0.03 -4.96 115.64 108.80 2jn3 s THR 72 Ca 0.01 -0.25 0.23 0.00 -1.18 0.00 0.00 61.69 60.50 2jn3 s THR 72 Cb -0.11 -3.63 0.20 0.00 1.34 0.00 0.00 72.50 70.30 2jn3 s THR 72 CO 0.01 -0.51 1.74 0.23 -0.54 0.00 0.00 174.62 175.55 2jn3 n MET 73 N -2.15 0.03 0.06 3.99 2.81 -1.26 -2.71 117.12 117.89 2jn3 n MET 73 Ca 0.01 0.13 0.12 0.00 -1.81 0.00 0.00 57.70 56.15 2jn3 n MET 73 Cb 0.57 -1.54 0.16 0.00 -0.71 0.00 0.00 33.22 31.69 2jn3 n MET 73 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jn3 n ASP 74 N -1.60 0.70 0.00 7.83 5.68 -1.26 -4.92 116.55 122.97 2jn3 n ASP 74 Ca 0.05 0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.45 2jn3 n ASP 74 Cb 0.28 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2jn3 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jn3 n GLY 75 N 1.34 1.93 3.53 6.12 0.00 -1.10 -5.08 105.19 111.92 2jn3 n GLY 75 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.50 3.76 -0.09 1.61 1.02 -1.26 -4.93 119.74 119.35 2jn3 s LYS 76 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 2jn3 s LYS 76 Cb 0.00 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2jn3 s LYS 76 CO 0.00 0.18 -0.00 0.15 -0.92 0.00 0.00 175.35 174.75 2jn3 s LYS 77 N 0.58 3.02 -0.12 1.68 1.02 -1.26 -0.85 119.74 123.82 2jn3 s LYS 77 Ca -0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 2jn3 s LYS 77 Cb -0.14 -2.80 0.12 0.00 -0.52 0.00 0.00 37.83 34.50 2jn3 s LYS 77 CO 0.02 0.67 1.00 -0.48 -0.92 0.00 0.00 175.35 175.64 2jn3 s LEU 78 N -0.80 -0.33 0.14 3.17 2.34 -0.82 -5.03 118.68 117.34 2jn3 s LEU 78 Ca 0.12 0.22 0.00 0.00 0.06 0.00 0.00 54.13 54.53 2jn3 s LEU 78 Cb -0.11 1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 47.31 2jn3 s LEU 78 CO 0.02 -0.41 0.31 -0.54 -1.06 0.00 0.00 176.35 174.67 2jn3 s LYS 79 N -1.90 3.48 -0.25 1.48 1.02 -1.26 -0.38 119.74 121.93 2jn3 s LYS 79 Ca 0.02 -0.43 -0.17 0.00 0.02 0.00 0.00 55.97 55.41 2jn3 s LYS 79 Cb -0.01 -2.94 0.07 0.00 -0.52 0.00 0.00 37.83 34.44 2jn3 s LYS 79 CO -0.03 0.50 0.63 0.00 -0.92 0.00 0.00 175.35 175.53 2jn3 s THR 81 N 1.13 4.89 0.35 0.00 2.01 -1.26 -3.30 115.64 119.45 2jn3 s THR 81 Ca -0.06 -0.83 -0.27 0.00 0.31 0.00 0.00 61.69 60.84 2jn3 s THR 81 Cb -0.05 -4.38 -0.09 0.00 0.01 0.00 0.00 72.50 67.99 2jn3 s THR 81 CO -0.11 -0.95 1.10 -0.69 -0.69 0.00 0.00 174.62 173.28 2jn3 s VAL 82 N 2.53 3.50 0.05 3.82 1.01 -1.26 -4.66 120.40 125.39 2jn3 s VAL 82 Ca 0.12 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.36 2jn3 s VAL 82 Cb -0.22 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2jn3 s VAL 82 CO 0.08 0.18 0.11 -1.38 0.00 0.00 0.00 175.10 174.09 2jn3 s HIS 83 N -1.39 0.23 -0.16 5.22 -3.43 -1.14 -3.15 115.29 111.46 2jn3 s HIS 83 Ca 0.52 -0.60 -0.09 0.00 -0.80 0.00 0.00 55.06 54.09 2jn3 s HIS 83 Cb -0.28 -0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 30.67 2jn3 s HIS 83 CO 0.36 -0.43 0.14 -0.51 -2.00 0.00 0.00 174.74 172.30 2jn3 s LEU 84 N -2.48 4.29 -0.08 5.38 1.43 -1.26 -1.67 118.68 124.29 2jn3 s LEU 84 Ca 0.00 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2jn3 s LEU 84 Cb 0.02 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.19 2jn3 s LEU 84 CO -0.07 0.28 0.09 0.00 0.23 0.00 0.00 176.35 176.87 2jn3 s ALA 85 N -0.23 0.20 -1.72 4.21 0.00 -0.34 -4.82 121.76 119.06 2jn3 s ALA 85 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2jn3 s ALA 85 Cb -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.23 2jn3 s ALA 85 CO 0.01 -0.69 0.00 0.09 0.00 0.00 0.00 175.76 175.17 2jn3 n ASN 86 N 5.30 -5.43 -1.05 0.00 5.03 -1.26 -2.09 115.26 115.76 2jn3 n ASN 86 Ca -0.04 0.10 -0.04 0.00 0.87 0.00 0.00 54.58 55.47 2jn3 n ASN 86 Cb 0.50 -4.51 0.01 0.00 -1.02 0.00 0.00 39.78 34.76 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jn3 n GLY 87 N -0.93 0.68 3.27 7.41 0.00 -1.26 -5.05 105.19 109.31 2jn3 n GLY 87 Ca -0.22 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 2jn3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 88 N -5.17 0.39 0.03 1.61 1.02 -0.89 -4.89 119.74 111.85 2jn3 s LYS 88 Ca 0.09 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 56.56 2jn3 s LYS 88 Cb -0.04 -0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.20 2jn3 s LYS 88 CO 0.12 -0.16 1.11 -1.17 -0.92 0.00 0.00 175.35 174.34 2jn3 s LEU 89 N 1.36 4.37 -0.04 3.17 0.20 -1.19 -1.20 118.68 125.36 2jn3 s LEU 89 Ca -0.09 1.87 -0.01 0.00 0.69 0.00 0.00 54.13 56.59 2jn3 s LEU 89 Cb -0.08 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 42.13 2jn3 s LEU 89 CO -0.12 -0.39 0.02 -0.69 -0.29 0.00 0.00 176.35 174.88 2jn3 s VAL 90 N 1.05 0.08 -0.54 1.68 1.01 -0.67 -1.48 120.40 121.53 2jn3 s VAL 90 Ca 0.56 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2jn3 s VAL 90 Cb -0.26 -0.24 0.14 0.00 0.00 0.00 0.00 36.38 36.02 2jn3 s VAL 90 CO 0.29 0.16 0.30 -0.89 0.00 0.00 0.00 175.10 174.96 2jn3 s THR 91 N 1.46 2.89 0.61 3.92 2.01 0.64 -2.89 115.64 124.28 2jn3 s THR 91 Ca -0.04 -3.19 -0.07 0.00 0.31 0.00 0.00 61.69 58.71 2jn3 s THR 91 Cb -0.13 -2.97 0.01 0.00 0.01 0.00 0.00 72.50 69.42 2jn3 s THR 91 CO -0.03 -0.81 0.93 -1.59 -0.69 0.00 0.00 174.62 172.43 2jn3 s LYS 92 N -0.18 2.93 0.00 4.92 -2.85 -1.26 -1.87 119.74 121.43 2jn3 s LYS 92 Ca 0.17 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 2jn3 s LYS 92 Cb -0.24 -2.23 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 2jn3 s LYS 92 CO -0.01 -0.74 0.00 0.45 0.10 0.00 0.00 175.35 175.15 2jn3 n SER 93 N -2.64 0.00 -1.91 0.03 2.88 -0.88 -4.69 113.62 106.41 2jn3 n SER 93 Ca 0.05 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.37 2jn3 n SER 93 Cb 0.57 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.15 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 2.57 0.00 -1.46 1.02 -1.26 -4.46 120.64 117.05 2jn3 n GLU 94 Ca 0.00 -3.41 0.00 0.00 -0.02 0.00 0.00 57.16 53.73 2jn3 n GLU 94 Cb 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 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 -0.97 0.00 0.00 3.49 2.85 -1.26 -5.15 118.16 117.12 2jn3 n LYS 95 Ca 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 2jn3 n LYS 95 Cb 1.01 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.39 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 -4.45 5.58 1.16 -1.26 -4.72 117.46 113.78 2jn3 n PHE 96 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.35 2jn3 n PHE 96 Cb 0.04 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.81 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 3.33 -0.03 5.98 0.01 -0.84 -2.06 113.70 120.10 2jn3 s SER 97 Ca 0.00 -1.05 -0.03 0.00 1.31 0.00 0.00 55.95 56.18 2jn3 s SER 97 Cb 0.00 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.98 2jn3 s SER 97 CO 0.00 -0.05 0.07 -2.28 0.41 0.00 0.00 173.24 171.40 2jn3 s HIS 98 N -2.65 -0.06 -0.18 2.43 5.04 -0.78 -2.71 115.29 116.38 2jn3 s HIS 98 Ca 0.28 0.16 -0.08 0.00 -1.54 0.00 0.00 55.06 53.88 2jn3 s HIS 98 Cb -0.03 0.01 0.07 0.00 0.04 0.00 0.00 32.58 32.67 2jn3 s HIS 98 CO 0.13 -0.06 0.41 -1.21 -2.34 0.00 0.00 174.74 171.68 2jn3 s GLU 99 N -0.09 0.37 0.17 2.88 2.02 0.14 -0.26 118.70 123.92 2jn3 s GLU 99 Ca -0.01 0.88 0.08 0.00 0.02 0.00 0.00 54.97 55.93 2jn3 s GLU 99 Cb -0.01 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.27 2jn3 s GLU 99 CO 0.00 -0.19 -0.17 -1.14 0.02 0.00 0.00 175.26 173.78 2jn3 s GLN 100 N 1.85 1.26 -0.09 1.61 0.74 -0.55 0.29 119.66 124.76 2jn3 s GLN 100 Ca -0.07 -1.43 -0.26 0.00 0.05 0.00 0.00 55.36 53.65 2jn3 s GLN 100 Cb -0.10 -1.23 0.06 0.00 1.10 0.00 0.00 33.01 32.85 2jn3 s GLN 100 CO -0.13 0.24 0.60 -1.21 -0.55 0.00 0.00 175.29 174.24 2jn3 s GLU 101 N -2.99 0.91 -0.05 1.67 8.01 0.64 -3.16 118.70 123.75 2jn3 s GLU 101 Ca 0.16 0.33 0.05 0.00 0.01 0.00 0.00 54.97 55.52 2jn3 s GLU 101 Cb -0.04 0.43 -0.02 0.00 -4.31 0.00 0.00 34.13 30.18 2jn3 s GLU 101 CO 0.06 -0.24 -0.18 0.54 0.01 0.00 0.00 175.26 175.45 2jn3 s VAL 102 N -0.84 2.72 -0.32 2.63 0.11 -1.26 0.33 120.40 123.76 2jn3 s VAL 102 Ca -0.09 -0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 58.11 2jn3 s VAL 102 Cb -0.02 -2.04 0.10 0.00 -1.53 0.00 0.00 36.38 32.90 2jn3 s VAL 102 CO 0.07 0.58 0.10 -0.54 -3.33 0.00 0.00 175.10 171.98 2jn3 s LYS 103 N -0.61 0.84 7.62 1.54 1.02 0.16 -4.87 119.74 125.44 2jn3 s LYS 103 Ca 0.09 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.86 2jn3 s LYS 103 Cb -0.11 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2jn3 s LYS 103 CO 0.00 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 173.85 2jn3 n GLY 104 N 4.71 2.61 1.05 -3.33 0.00 -1.26 -2.52 105.19 106.44 2jn3 n GLY 104 Ca -0.01 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.86 2jn3 n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jn3 n ASN 105 N 9.30 3.42 -4.56 1.61 4.13 -1.26 -4.68 115.26 123.22 2jn3 n ASN 105 Ca 0.00 -1.96 -0.24 0.00 1.68 0.00 0.00 54.58 54.06 2jn3 n ASN 105 Cb 0.00 -0.33 -0.09 0.00 -1.54 0.00 0.00 39.78 37.82 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2jn3 s GLU 106 N -1.11 2.00 -0.02 3.52 2.02 -1.05 -2.02 118.70 122.05 2jn3 s GLU 106 Ca 0.37 -1.54 0.04 0.00 0.02 0.00 0.00 54.97 53.87 2jn3 s GLU 106 Cb 0.20 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 2jn3 s GLU 106 CO 0.27 0.36 -0.14 -1.64 0.02 0.00 0.00 175.26 174.13 2jn3 s MET 107 N -3.46 1.20 -0.10 1.61 -1.94 0.50 -0.66 119.30 116.44 2jn3 s MET 107 Ca 0.30 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.79 2jn3 s MET 107 Cb -0.06 -1.14 0.01 0.00 2.01 0.00 0.00 34.83 35.65 2jn3 s MET 107 CO 0.17 0.28 -0.14 0.08 -0.01 0.00 0.00 175.02 175.40 2jn3 s VAL 108 N -0.25 1.38 -0.14 -6.03 1.01 0.15 0.72 120.40 117.25 2jn3 s VAL 108 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2jn3 s VAL 108 Cb -0.06 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2jn3 s VAL 108 CO -0.00 0.42 -0.07 -1.61 0.00 0.00 0.00 175.10 173.84 2jn3 s GLU 109 N 0.95 3.48 -0.19 2.72 2.02 0.13 -0.26 118.70 127.56 2jn3 s GLU 109 Ca -0.08 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.36 2jn3 s GLU 109 Cb -0.15 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.31 2jn3 s GLU 109 CO -0.01 0.29 -0.15 0.95 0.02 0.00 0.00 175.26 176.36 2jn3 s THR 110 N 0.20 1.85 -0.01 3.63 -4.23 0.84 -1.01 115.64 116.91 2jn3 s THR 110 Ca -0.04 -0.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2jn3 s THR 110 Cb -0.14 -1.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 2jn3 s THR 110 CO 0.03 0.37 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.71 2jn3 s ILE 111 N 1.34 1.11 -0.12 2.99 1.01 -0.88 0.23 121.20 126.88 2jn3 s ILE 111 Ca 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 2jn3 s ILE 111 Cb -0.14 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2jn3 s ILE 111 CO -0.10 0.32 -0.11 0.42 0.00 0.00 0.00 174.94 175.47 2jn3 s THR 112 N -0.27 3.28 -0.18 2.92 -4.23 -1.10 -0.29 115.64 115.77 2jn3 s THR 112 Ca 0.04 -0.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.88 2jn3 s THR 112 Cb -0.06 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.47 2jn3 s THR 112 CO -0.00 0.53 0.42 0.12 -0.54 0.00 0.00 174.62 175.14 2jn3 s PHE 113 N 0.17 -0.67 -1.10 3.99 2.19 0.18 -1.98 117.98 120.76 2jn3 s PHE 113 Ca -0.06 1.38 -0.04 0.00 0.33 0.00 0.00 56.93 58.54 2jn3 s PHE 113 Cb -0.15 0.28 0.00 0.00 -1.31 0.00 0.00 43.02 41.85 2jn3 s PHE 113 CO 0.04 -0.39 0.57 0.41 1.83 0.00 0.00 175.22 177.68 2jn3 n GLY 114 N 4.62 -0.18 2.48 13.12 0.00 -1.26 -1.46 105.19 122.51 2jn3 n GLY 114 Ca -0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.40 0.38 3.45 -0.02 0.00 -1.26 -4.98 105.19 101.36 2jn3 n GLY 115 Ca -0.06 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.62 3.02 -0.09 1.61 1.01 -0.53 -5.12 120.40 118.67 2jn3 s VAL 116 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2jn3 s VAL 116 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2jn3 s VAL 116 CO 0.00 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.69 2jn3 s THR 117 N -0.52 3.39 0.02 3.92 2.01 -1.26 0.49 115.64 123.69 2jn3 s THR 117 Ca 0.07 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.56 2jn3 s THR 117 Cb -0.12 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2jn3 s THR 117 CO 0.01 0.56 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.13 2jn3 s LEU 118 N -0.29 2.72 -0.41 4.42 2.96 0.60 -4.84 118.68 123.85 2jn3 s LEU 118 Ca 0.03 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2jn3 s LEU 118 Cb -0.13 -1.58 0.12 0.00 0.50 0.00 0.00 46.19 45.10 2jn3 s LEU 118 CO 0.03 0.27 0.17 -0.63 -1.32 0.00 0.00 176.35 174.87 2jn3 s ILE 119 N -0.91 1.77 -0.06 6.68 1.01 -1.26 -2.08 121.20 126.35 2jn3 s ILE 119 Ca 0.15 -2.44 -0.20 0.00 0.00 0.00 0.00 60.65 58.16 2jn3 s ILE 119 Cb -0.11 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 2jn3 s ILE 119 CO 0.05 -0.76 0.57 -0.60 0.00 0.00 0.00 174.94 174.20 2jn3 s ARG 120 N 0.60 4.34 -0.21 2.79 3.52 -0.18 -3.60 118.95 126.21 2jn3 s ARG 120 Ca 0.14 0.66 -0.05 0.00 -0.13 0.00 0.00 55.73 56.35 2jn3 s ARG 120 Cb -0.22 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2jn3 s ARG 120 CO -0.07 0.24 -0.02 1.03 -0.81 0.00 0.00 175.30 175.67 2jn3 s ARG 121 N 0.29 3.52 0.17 5.12 0.52 -0.05 0.20 118.95 128.72 2jn3 s ARG 121 Ca 0.30 -0.57 0.11 0.00 -0.52 0.00 0.00 55.73 55.06 2jn3 s ARG 121 Cb -0.17 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2jn3 s ARG 121 CO 0.15 -0.07 -0.24 -1.12 0.02 0.00 0.00 175.30 174.03 2jn3 s SER 122 N 1.20 3.44 0.20 0.23 0.01 0.22 -1.88 113.70 117.12 2jn3 s SER 122 Ca 0.03 -0.82 0.10 0.00 1.31 0.00 0.00 55.95 56.57 2jn3 s SER 122 Cb -0.15 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.77 2jn3 s SER 122 CO 0.00 0.14 -0.15 -0.75 0.41 0.00 0.00 173.24 172.89 2jn3 s LYS 123 N -2.50 1.84 0.11 12.44 2.20 -0.74 0.19 119.74 133.27 2jn3 s LYS 123 Ca 0.19 -1.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.08 2jn3 s LYS 123 Cb -0.09 -2.00 -0.06 0.00 -1.51 0.00 0.00 37.83 34.18 2jn3 s LYS 123 CO 0.09 0.40 0.90 0.50 -0.36 0.00 0.00 175.35 176.88 2jn3 s ARG 124 N -2.92 4.65 0.00 4.03 3.52 -0.86 -0.90 118.95 126.48 2jn3 s ARG 124 Ca 0.25 1.34 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 2jn3 s ARG 124 Cb -0.08 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 2jn3 s ARG 124 CO 0.14 0.27 0.43 0.28 -0.81 0.00 0.00 175.30 175.60