#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 0.32 -3.67 0.00 -1.00 -1.97 -3.46 116.94 107.17 2jn3 h PHE 2 Ca 0.00 -0.19 -0.56 0.00 2.81 0.00 0.00 57.97 60.02 2jn3 h PHE 2 Cb 0.00 -0.03 0.14 0.00 3.61 0.00 0.00 35.95 39.67 2jn3 h PHE 2 CO 0.00 1.05 0.38 -1.13 -1.61 0.00 0.00 178.31 177.00 2jn3 n SER 3 N -3.60 1.90 0.00 2.17 3.41 -1.26 -4.61 113.62 111.62 2jn3 n SER 3 Ca -0.04 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 2jn3 n SER 3 Cb 0.87 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 2jn3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jn3 n GLY 4 N 0.98 0.65 3.55 5.00 0.00 0.18 -4.92 105.19 110.63 2jn3 n GLY 4 Ca 0.11 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.77 4.14 0.06 2.61 2.01 -1.26 -0.87 115.64 121.55 2jn3 s THR 5 Ca 0.00 -0.27 0.09 0.00 0.31 0.00 0.00 61.69 61.82 2jn3 s THR 5 Cb 0.00 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 2jn3 s THR 5 CO 0.00 0.50 -0.26 0.26 -0.69 0.00 0.00 174.62 174.43 2jn3 s TRP 6 N 0.22 2.30 -0.12 4.92 0.52 -0.59 -2.57 118.94 123.61 2jn3 s TRP 6 Ca -0.01 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.71 2jn3 s TRP 6 Cb -0.13 -1.36 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 2jn3 s TRP 6 CO 0.02 0.15 -0.12 -1.14 0.02 0.00 0.00 176.95 175.88 2jn3 s GLN 7 N -1.34 2.01 0.07 4.98 0.74 0.02 -1.41 119.66 124.72 2jn3 s GLN 7 Ca 0.12 -0.46 -0.31 0.00 0.05 0.00 0.00 55.36 54.76 2jn3 s GLN 7 Cb -0.10 -1.85 -0.08 0.00 1.10 0.00 0.00 33.01 32.08 2jn3 s GLN 7 CO 0.03 -0.18 1.56 0.08 -0.55 0.00 0.00 175.29 176.22 2jn3 s VAL 8 N 1.37 3.18 0.00 1.34 1.01 -1.25 -1.62 120.40 124.42 2jn3 s VAL 8 Ca 0.01 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2jn3 s VAL 8 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2jn3 s VAL 8 CO -0.07 0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.04 2jn3 n TYR 9 N 5.23 0.00 -4.34 5.22 4.11 -0.95 -4.79 117.16 121.64 2jn3 n TYR 9 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.82 2jn3 n TYR 9 Cb 0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.59 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 -1.65 0.95 -0.08 -3.48 0.00 -1.19 -5.05 121.76 111.25 2jn3 s ALA 10 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 2jn3 s ALA 10 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.67 2jn3 s ALA 10 CO 0.00 0.03 0.15 1.14 0.00 0.00 0.00 175.76 177.09 2jn3 s GLN 11 N 0.82 0.03 -0.02 0.00 -2.07 -1.26 -0.98 119.66 116.18 2jn3 s GLN 11 Ca -0.12 0.53 -0.05 0.00 -1.82 0.00 0.00 55.36 53.89 2jn3 s GLN 11 Cb -0.15 -0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 31.39 2jn3 s GLN 11 CO 0.02 -0.32 0.22 -2.00 -1.32 0.00 0.00 175.29 171.89 2jn3 s GLU 12 N 2.28 3.52 -0.93 9.60 2.12 -1.24 -4.16 118.70 129.90 2jn3 s GLU 12 Ca 0.03 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2jn3 s GLU 12 Cb -0.12 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2jn3 s GLU 12 CO -0.06 0.68 0.00 -1.71 -0.54 0.00 0.00 175.26 173.63 2jn3 n ASN 13 N 1.18 -5.77 -0.07 -1.70 5.15 -1.26 -3.98 115.26 108.81 2jn3 n ASN 13 Ca -0.12 0.22 -0.07 0.00 -0.60 0.00 0.00 54.58 54.00 2jn3 n ASN 13 Cb 0.53 -4.04 -0.01 0.00 -0.53 0.00 0.00 39.78 35.74 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2jn3 h TYR 14 N 0.00 -0.50 -0.12 1.20 3.20 -1.96 0.21 116.97 119.00 2jn3 h TYR 14 Ca -0.18 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.72 2jn3 h TYR 14 Cb 1.14 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 2jn3 h TYR 14 CO 0.61 -0.27 0.05 0.93 -1.64 0.00 0.00 178.16 177.83 2jn3 h GLU 15 N -0.17 0.18 0.54 1.82 5.08 -1.91 -1.84 114.58 118.27 2jn3 h GLU 15 Ca 0.16 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2jn3 h GLU 15 Cb 0.41 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2jn3 h GLU 15 CO -0.40 0.27 -0.48 0.93 -1.00 0.00 0.00 179.01 178.33 2jn3 h GLU 16 N 0.05 -0.97 -0.28 2.33 5.08 -1.79 0.43 114.58 119.43 2jn3 h GLU 16 Ca 0.04 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 2jn3 h GLU 16 Cb 0.15 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2jn3 h GLU 16 CO -0.00 -0.65 -0.36 0.35 -1.00 0.00 0.00 179.01 177.35 2jn3 h PHE 17 N -1.01 -1.01 -0.80 4.33 3.57 -0.60 -0.70 116.94 120.72 2jn3 h PHE 17 Ca -0.06 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2jn3 h PHE 17 Cb 0.86 0.49 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 2jn3 h PHE 17 CO -0.22 -0.41 0.50 -0.07 -2.23 0.00 0.00 178.31 175.88 2jn3 h LEU 18 N -0.35 0.82 -0.95 0.59 3.38 -1.13 -1.91 115.31 115.77 2jn3 h LEU 18 Ca 0.13 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.32 2jn3 h LEU 18 Cb 0.56 -0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 2jn3 h LEU 18 CO -0.47 0.55 0.51 0.50 0.09 0.00 0.00 178.44 179.62 2jn3 h LYS 19 N 0.96 0.53 0.00 1.13 3.64 0.14 0.55 116.57 123.53 2jn3 h LYS 19 Ca 0.33 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2jn3 h LYS 19 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2jn3 h LYS 19 CO -0.13 0.35 -0.33 0.00 -2.27 0.00 0.00 179.45 177.07 2jn3 h ALA 20 N 1.69 1.23 -0.00 5.00 0.00 -0.88 -2.56 119.26 123.74 2jn3 h ALA 20 Ca 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jn3 h ALA 20 Cb 1.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jn3 h ALA 20 CO -0.47 0.42 0.06 1.25 0.00 0.00 0.00 179.25 180.51 2jn3 h LEU 21 N 0.00 0.00 0.05 0.00 5.85 0.25 -3.45 115.31 118.01 2jn3 h LEU 21 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jn3 h LEU 21 Cb 0.68 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2jn3 h LEU 21 CO 0.04 0.00 -0.01 0.00 -0.34 0.00 0.00 178.44 178.13 2jn3 n ALA 22 N -2.06 -0.01 -1.53 1.25 0.00 -0.96 -5.03 120.51 112.16 2jn3 n ALA 22 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 2jn3 n ALA 22 Cb 0.13 -0.53 0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.11 2.46 0.29 0.00 1.43 -1.26 -5.00 118.68 116.49 2jn3 s LEU 23 Ca 0.00 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 2jn3 s LEU 23 Cb 0.00 -3.79 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 2jn3 s LEU 23 CO 0.00 -2.12 1.13 -2.16 0.23 0.00 0.00 176.35 173.43 2jn3 s PRO 24 N -5.17 4.58 0.24 1.29 0.04 -1.26 -4.93 135.00 129.80 2jn3 s PRO 24 Ca 0.61 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 63.46 2jn3 s PRO 24 Cb -0.15 -3.16 0.29 0.00 0.04 0.00 0.00 34.50 31.53 2jn3 s PRO 24 CO 0.54 0.14 1.89 0.93 0.04 0.00 0.00 177.00 180.54 2jn3 h GLU 25 N 3.72 1.13 -0.22 4.56 5.08 -1.99 -0.48 114.58 126.38 2jn3 h GLU 25 Ca -0.47 -0.07 0.06 0.00 -1.00 0.00 0.00 59.36 57.89 2jn3 h GLU 25 Cb 1.21 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2jn3 h GLU 25 CO 0.67 0.75 0.22 0.22 -1.00 0.00 0.00 179.01 179.86 2jn3 h ASP 26 N 1.17 0.00 0.73 1.42 1.82 -2.00 0.72 116.42 120.29 2jn3 h ASP 26 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 2jn3 h ASP 26 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2jn3 h ASP 26 CO -0.12 0.00 -1.21 -0.11 -1.61 0.00 0.00 179.24 176.19 2jn3 n LEU 27 N -3.94 0.64 0.09 2.28 7.94 -0.27 -3.35 117.00 120.40 2jn3 n LEU 27 Ca 0.03 0.23 -0.23 0.00 -1.11 0.00 0.00 56.01 54.92 2jn3 n LEU 27 Cb 0.35 -0.05 -0.15 0.00 0.53 0.00 0.00 43.42 44.10 2jn3 n LEU 27 CO 0.29 -0.13 -0.35 0.40 -1.11 0.00 0.00 177.39 176.49 2jn3 h ILE 28 N 0.00 1.13 0.00 1.96 2.04 -0.05 -2.09 117.51 120.51 2jn3 h ILE 28 Ca 0.00 -2.57 -0.12 0.00 1.00 0.00 0.00 64.86 63.17 2jn3 h ILE 28 Cb 0.97 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.94 2jn3 h ILE 28 CO 0.00 0.81 -0.58 0.07 0.00 0.00 0.00 178.15 178.45 2jn3 h LYS 29 N 0.02 0.00 0.00 2.37 2.10 -1.33 0.21 116.57 119.95 2jn3 h LYS 29 Ca -0.29 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.16 2jn3 h LYS 29 Cb 2.04 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.34 2jn3 h LYS 29 CO 0.20 0.58 -1.26 1.98 -2.00 0.00 0.00 179.45 178.94 2jn3 h MET 30 N 0.00 0.00 -0.33 0.07 4.05 -1.66 -3.32 114.93 113.74 2jn3 h MET 30 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2jn3 h MET 30 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2jn3 h MET 30 CO 0.08 0.51 0.00 0.00 0.23 0.00 0.00 176.91 177.73 2jn3 n ALA 31 N -2.40 2.40 1.16 0.39 0.00 -0.78 -4.34 120.51 116.92 2jn3 n ALA 31 Ca -0.08 -0.96 0.07 0.00 0.00 0.00 0.00 53.44 52.48 2jn3 n ALA 31 Cb 0.90 -0.74 0.44 0.00 0.00 0.00 0.00 19.45 20.05 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 1.25 0.58 -2.69 0.00 1.85 0.06 -3.36 116.66 114.34 2jn3 n ARG 32 Ca 0.16 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.95 2jn3 n ARG 32 Cb 0.54 -1.40 0.09 0.00 -1.05 0.00 0.00 32.46 30.64 2jn3 n ARG 32 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2jn3 n ASP 33 N -0.90 -0.58 -4.03 2.89 8.00 -1.26 -5.05 116.55 115.62 2jn3 n ASP 33 Ca 0.11 -2.50 -0.31 0.00 0.71 0.00 0.00 54.79 52.80 2jn3 n ASP 33 Cb 0.05 0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 41.39 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jn3 s ILE 34 N -1.11 1.67 -1.09 0.53 1.01 -1.21 -5.06 121.20 115.94 2jn3 s ILE 34 Ca 0.23 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.93 2jn3 s ILE 34 Cb 0.42 -1.61 0.15 0.00 0.01 0.00 0.00 42.46 41.43 2jn3 s ILE 34 CO -0.05 0.39 1.30 -0.54 0.00 0.00 0.00 174.94 176.04 2jn3 s LYS 35 N 1.43 3.87 0.09 2.79 3.01 -1.26 -4.99 119.74 124.67 2jn3 s LYS 35 Ca 0.03 -2.21 -0.31 0.00 -1.01 0.00 0.00 55.97 52.48 2jn3 s LYS 35 Cb -0.14 -5.00 -0.06 0.00 -1.01 0.00 0.00 37.83 31.61 2jn3 s LYS 35 CO -0.10 -1.78 1.23 -1.25 0.51 0.00 0.00 175.35 173.97 2jn3 s PRO 36 N 2.10 4.42 0.50 -1.68 0.04 -1.26 -4.80 135.00 134.32 2jn3 s PRO 36 Ca 0.38 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 2jn3 s PRO 36 Cb -0.04 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2jn3 s PRO 36 CO -0.04 -0.27 0.86 0.42 0.04 0.00 0.00 177.00 178.01 2jn3 s ILE 37 N 0.94 4.78 -0.11 0.56 1.01 -1.12 -3.97 121.20 123.29 2jn3 s ILE 37 Ca 0.59 0.60 -0.03 0.00 0.00 0.00 0.00 60.65 61.82 2jn3 s ILE 37 Cb -0.31 -3.81 0.04 0.00 0.01 0.00 0.00 42.46 38.39 2jn3 s ILE 37 CO 0.30 -0.81 0.04 -0.69 0.00 0.00 0.00 174.94 173.78 2jn3 s VAL 38 N -2.73 0.20 -0.08 2.92 1.01 -0.50 -2.22 120.40 119.00 2jn3 s VAL 38 Ca 0.52 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 2jn3 s VAL 38 Cb -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 2jn3 s VAL 38 CO 0.42 0.03 0.29 -0.70 0.00 0.00 0.00 175.10 175.13 2jn3 s GLU 39 N 2.03 3.84 -0.09 2.72 2.12 -0.93 -1.55 118.70 126.84 2jn3 s GLU 39 Ca 0.03 0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.54 2jn3 s GLU 39 Cb -0.14 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 30.99 2jn3 s GLU 39 CO -0.06 0.61 -0.19 0.42 -0.54 0.00 0.00 175.26 175.50 2jn3 s ILE 40 N -0.67 1.64 -0.50 -3.70 1.01 -0.05 -1.96 121.20 116.98 2jn3 s ILE 40 Ca 0.19 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.14 2jn3 s ILE 40 Cb -0.14 -1.45 0.28 0.00 0.01 0.00 0.00 42.46 41.16 2jn3 s ILE 40 CO 0.08 0.47 0.69 1.67 0.00 0.00 0.00 174.94 177.85 2jn3 n GLN 41 N 3.68 1.73 -0.60 2.79 7.27 -0.97 -0.64 117.38 130.65 2jn3 n GLN 41 Ca -0.21 -3.98 -0.28 0.00 0.07 0.00 0.00 57.00 52.60 2jn3 n GLN 41 Cb 0.52 -1.79 0.25 0.00 2.41 0.00 0.00 30.24 31.64 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 -2.14 -1.20 -0.12 3.69 0.74 -1.26 -4.01 119.66 115.35 2jn3 s GLN 42 Ca 0.39 0.64 0.05 0.00 0.05 0.00 0.00 55.36 56.49 2jn3 s GLN 42 Cb 0.21 -1.54 0.15 0.00 1.10 0.00 0.00 33.01 32.93 2jn3 s GLN 42 CO -0.08 -3.86 0.87 1.63 -0.55 0.00 0.00 175.29 173.31 2jn3 n LYS 43 N -4.99 0.50 0.00 1.67 5.02 -1.15 -4.97 118.16 114.24 2jn3 n LYS 43 Ca 0.04 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 2jn3 n LYS 43 Cb 0.56 0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.78 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 -0.57 1.38 0.57 0.72 0.00 -1.26 -4.62 105.19 101.41 2jn3 n GLY 44 Ca -0.08 -0.84 0.07 0.00 0.00 0.00 0.00 46.02 45.17 2jn3 n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jn3 n ASP 45 N 0.00 2.21 -4.66 1.61 5.75 -1.26 -4.97 116.55 115.24 2jn3 n ASP 45 Ca 0.00 -1.60 -0.32 0.00 -0.01 0.00 0.00 54.79 52.86 2jn3 n ASP 45 Cb 0.00 -0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 39.98 2jn3 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jn3 s ASP 46 N -1.14 4.96 -0.02 -1.12 -1.08 -1.26 0.70 116.67 117.71 2jn3 s ASP 46 Ca 0.17 -0.07 0.05 0.00 -0.52 0.00 0.00 52.55 52.18 2jn3 s ASP 46 Cb 0.12 -1.24 -0.01 0.00 -1.46 0.00 0.00 42.92 40.32 2jn3 s ASP 46 CO 0.17 0.27 -0.17 -0.36 0.52 0.00 0.00 175.17 175.61 2jn3 s PHE 47 N -1.08 1.50 -0.30 -5.34 0.40 -0.61 -2.92 117.98 109.63 2jn3 s PHE 47 Ca 0.19 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.26 2jn3 s PHE 47 Cb -0.11 -0.97 0.08 0.00 0.51 0.00 0.00 43.02 42.52 2jn3 s PHE 47 CO 0.10 -0.04 -0.02 0.08 0.70 0.00 0.00 175.22 176.04 2jn3 s VAL 48 N -0.33 2.23 -0.23 -0.44 1.01 -1.26 -2.58 120.40 118.80 2jn3 s VAL 48 Ca 0.05 -2.02 -0.07 0.00 0.00 0.00 0.00 61.98 59.94 2jn3 s VAL 48 Cb -0.07 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2jn3 s VAL 48 CO -0.00 -0.34 0.05 -0.69 0.00 0.00 0.00 175.10 174.12 2jn3 s VAL 49 N 0.99 4.30 -0.28 2.92 1.01 -0.72 -2.29 120.40 126.34 2jn3 s VAL 49 Ca 0.02 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.84 2jn3 s VAL 49 Cb -0.19 -2.99 0.08 0.00 0.00 0.00 0.00 36.38 33.27 2jn3 s VAL 49 CO -0.07 0.37 -0.03 -0.89 0.00 0.00 0.00 175.10 174.49 2jn3 s THR 50 N 1.30 1.90 -0.06 3.92 2.01 -0.83 -0.57 115.64 123.32 2jn3 s THR 50 Ca 0.05 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.17 2jn3 s THR 50 Cb -0.15 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2jn3 s THR 50 CO 0.03 -0.28 0.44 -0.44 -0.69 0.00 0.00 174.62 173.68 2jn3 s SER 51 N 1.17 6.74 -0.13 3.53 0.01 0.04 -2.20 113.70 122.86 2jn3 s SER 51 Ca -0.00 0.88 -0.00 0.00 1.31 0.00 0.00 55.95 58.13 2jn3 s SER 51 Cb -0.19 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.80 2jn3 s SER 51 CO -0.08 0.15 -0.10 -0.54 0.41 0.00 0.00 173.24 173.08 2jn3 s LYS 52 N -0.17 1.88 0.42 12.44 1.02 -0.94 -0.45 119.74 133.93 2jn3 s LYS 52 Ca 0.24 -0.42 0.08 0.00 0.02 0.00 0.00 55.97 55.89 2jn3 s LYS 52 Cb -0.16 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 2jn3 s LYS 52 CO 0.11 -0.27 0.48 0.95 -0.92 0.00 0.00 175.35 175.70 2jn3 s THR 53 N 1.60 2.87 -0.26 2.17 -4.23 0.26 -2.79 115.64 115.25 2jn3 s THR 53 Ca 0.05 -1.16 0.28 0.00 -1.18 0.00 0.00 61.69 59.67 2jn3 s THR 53 Cb -0.13 -3.01 0.33 0.00 1.34 0.00 0.00 72.50 71.03 2jn3 s THR 53 CO -0.09 -0.00 1.82 1.55 -0.54 0.00 0.00 174.62 177.35 2jn3 h PRO 54 N 0.83 0.00 0.00 3.99 0.13 -1.98 -3.17 132.00 131.81 2jn3 h PRO 54 Ca -0.41 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 2jn3 h PRO 54 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2jn3 h PRO 54 CO 0.51 0.00 -1.89 -2.13 -0.23 0.00 0.00 178.00 174.26 2jn3 n ARG 55 N -2.75 0.97 -3.77 0.86 0.63 -1.26 -5.05 116.66 106.29 2jn3 n ARG 55 Ca 0.02 -0.08 -0.06 0.00 -0.92 0.00 0.00 57.85 56.81 2jn3 n ARG 55 Cb 0.34 -1.39 -0.02 0.00 0.45 0.00 0.00 32.46 31.84 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 -2.78 1.43 -0.07 -0.14 -2.07 -1.20 -5.16 119.66 109.67 2jn3 s GLN 56 Ca -0.07 -0.77 0.02 0.00 -1.82 0.00 0.00 55.36 52.71 2jn3 s GLN 56 Cb 0.08 0.50 0.02 0.00 -1.09 0.00 0.00 33.01 32.51 2jn3 s GLN 56 CO 0.66 -0.65 -0.10 0.95 -1.32 0.00 0.00 175.29 174.83 2jn3 s THR 57 N -3.56 1.02 -0.10 3.63 -4.23 -1.26 0.91 115.64 112.04 2jn3 s THR 57 Ca 0.11 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 2jn3 s THR 57 Cb -0.03 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.86 2jn3 s THR 57 CO 0.03 0.34 -0.16 0.68 -0.54 0.00 0.00 174.62 174.97 2jn3 s VAL 58 N 0.92 1.53 0.07 2.29 -7.23 0.40 -4.96 120.40 113.43 2jn3 s VAL 58 Ca -0.10 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.47 2jn3 s VAL 58 Cb -0.15 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2jn3 s VAL 58 CO 0.01 0.45 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.19 2jn3 s THR 59 N 0.82 2.91 0.01 5.32 2.01 -1.26 -0.78 115.64 124.66 2jn3 s THR 59 Ca -0.10 -1.29 -0.04 0.00 0.31 0.00 0.00 61.69 60.57 2jn3 s THR 59 Cb -0.16 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 2jn3 s THR 59 CO 0.01 0.23 0.06 0.20 -0.69 0.00 0.00 174.62 174.43 2jn3 s ASN 60 N -1.77 0.12 -0.03 3.53 0.01 0.27 -4.85 114.94 112.21 2jn3 s ASN 60 Ca 0.17 -0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 51.97 2jn3 s ASN 60 Cb -0.11 0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.72 2jn3 s ASN 60 CO 0.08 -0.32 0.07 -0.55 -1.51 0.00 0.00 177.10 174.87 2jn3 s SER 61 N -1.35 -0.06 0.24 -1.22 0.15 -1.26 -1.76 113.70 108.45 2jn3 s SER 61 Ca -0.15 0.14 -0.12 0.00 0.70 0.00 0.00 55.95 56.53 2jn3 s SER 61 Cb -0.08 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2jn3 s SER 61 CO 0.00 -0.05 0.44 0.72 1.20 0.00 0.00 173.24 175.55 2jn3 s PHE 62 N 0.28 0.45 0.13 3.44 -0.12 -1.06 -4.67 117.98 116.42 2jn3 s PHE 62 Ca -0.02 -0.79 0.10 0.00 -0.05 0.00 0.00 56.93 56.17 2jn3 s PHE 62 Cb -0.03 0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 2jn3 s PHE 62 CO -0.01 -0.95 -0.21 0.99 -0.05 0.00 0.00 175.22 174.99 2jn3 s THR 63 N -4.03 2.64 -0.14 -4.49 2.01 -1.26 -1.57 115.64 108.79 2jn3 s THR 63 Ca 0.24 -1.64 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 2jn3 s THR 63 Cb 0.00 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 2jn3 s THR 63 CO 0.09 0.07 1.04 -0.76 -0.69 0.00 0.00 174.62 174.37 2jn3 s LEU 64 N -2.20 4.21 0.00 4.42 1.43 0.22 -3.13 118.68 123.63 2jn3 s LEU 64 Ca 0.17 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2jn3 s LEU 64 Cb -0.10 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2jn3 s LEU 64 CO 0.09 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.75 2jn3 n GLY 65 N 3.19 0.95 3.10 -3.19 0.00 -1.19 -4.94 105.19 103.10 2jn3 n GLY 65 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2jn3 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jn3 s LYS 66 N -0.92 0.35 0.08 1.61 2.47 -1.18 -5.11 119.74 117.02 2jn3 s LYS 66 Ca 0.00 0.05 -0.31 0.00 -1.56 0.00 0.00 55.97 54.15 2jn3 s LYS 66 Cb 0.00 0.16 -0.07 0.00 -1.46 0.00 0.00 37.83 36.45 2jn3 s LYS 66 CO 0.00 -0.07 1.44 -2.00 0.16 0.00 0.00 175.35 174.89 2jn3 s GLU 67 N -0.44 4.28 0.06 4.03 2.12 -1.26 -4.51 118.70 122.99 2jn3 s GLU 67 Ca -0.05 2.09 0.06 0.00 0.36 0.00 0.00 54.97 57.43 2jn3 s GLU 67 Cb -0.04 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2jn3 s GLU 67 CO 0.01 -0.53 -0.17 0.00 -0.54 0.00 0.00 175.26 174.03 2jn3 s ALA 68 N 1.73 1.43 0.12 6.30 0.00 -1.20 -4.92 121.76 125.22 2jn3 s ALA 68 Ca 0.66 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 2jn3 s ALA 68 Cb -0.36 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 2jn3 s ALA 68 CO 0.29 0.27 0.95 -0.51 0.00 0.00 0.00 175.76 176.76 2jn3 s ASP 69 N -1.47 7.49 0.04 0.00 1.01 -1.26 -1.80 116.67 120.68 2jn3 s ASP 69 Ca 0.03 1.78 0.07 0.00 0.71 0.00 0.00 52.55 55.15 2jn3 s ASP 69 Cb -0.09 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 2jn3 s ASP 69 CO 0.02 -0.05 -0.21 -0.63 0.21 0.00 0.00 175.17 174.52 2jn3 s ILE 70 N -0.09 1.70 -0.05 0.77 -1.09 0.10 -4.63 121.20 117.93 2jn3 s ILE 70 Ca 0.46 -1.21 0.06 0.00 -2.23 0.00 0.00 60.65 57.73 2jn3 s ILE 70 Cb -0.23 -1.48 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 2jn3 s ILE 70 CO 0.30 0.22 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.11 2jn3 s THR 71 N -0.80 1.87 0.49 2.92 2.01 -1.26 -1.81 115.64 119.05 2jn3 s THR 71 Ca 0.08 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 2jn3 s THR 71 Cb -0.09 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 2jn3 s THR 71 CO 0.02 0.52 0.79 0.42 -0.69 0.00 0.00 174.62 175.68 2jn3 s THR 72 N -0.18 4.64 -0.83 -0.82 -4.23 -0.12 -4.93 115.64 109.18 2jn3 s THR 72 Ca -0.02 0.08 0.22 0.00 -1.18 0.00 0.00 61.69 60.80 2jn3 s THR 72 Cb -0.12 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.15 2jn3 s THR 72 CO 0.03 -0.73 1.68 0.80 -0.54 0.00 0.00 174.62 175.86 2jn3 n MET 73 N -2.28 0.09 0.05 3.99 1.56 -1.26 -2.52 117.12 116.75 2jn3 n MET 73 Ca 0.01 0.23 0.12 0.00 -0.27 0.00 0.00 57.70 57.79 2jn3 n MET 73 Cb 0.56 -1.64 0.17 0.00 2.15 0.00 0.00 33.22 34.46 2jn3 n MET 73 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jn3 n ASP 74 N -1.80 0.65 0.00 6.12 2.03 -1.26 -4.94 116.55 117.34 2jn3 n ASP 74 Ca 0.04 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2jn3 n ASP 74 Cb 0.27 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 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 1.37 0.67 3.02 0.27 0.00 -1.05 -5.13 105.19 104.35 2jn3 n GLY 75 Ca 0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2jn3 n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jn3 s LYS 76 N 0.51 1.72 -0.11 1.61 2.20 -1.25 -4.94 119.74 119.48 2jn3 s LYS 76 Ca 0.00 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 55.16 2jn3 s LYS 76 Cb 0.00 -1.43 -0.03 0.00 -1.51 0.00 0.00 37.83 34.86 2jn3 s LYS 76 CO 0.00 0.02 0.02 0.15 -0.36 0.00 0.00 175.35 175.18 2jn3 s LYS 77 N 0.69 3.25 -0.05 4.03 1.02 -1.26 -0.94 119.74 126.48 2jn3 s LYS 77 Ca -0.14 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.19 2jn3 s LYS 77 Cb -0.16 -2.91 0.10 0.00 -0.52 0.00 0.00 37.83 34.34 2jn3 s LYS 77 CO 0.03 0.61 0.87 -0.48 -0.92 0.00 0.00 175.35 175.46 2jn3 s LEU 78 N -0.60 -0.43 -0.02 3.17 0.05 -0.75 -5.01 118.68 115.09 2jn3 s LEU 78 Ca 0.10 0.25 -0.02 0.00 0.05 0.00 0.00 54.13 54.51 2jn3 s LEU 78 Cb -0.12 2.09 -0.04 0.00 -2.05 0.00 0.00 46.19 46.07 2jn3 s LEU 78 CO 0.02 -0.55 0.15 -0.54 -0.55 0.00 0.00 176.35 174.88 2jn3 s LYS 79 N -2.19 3.32 -0.18 1.48 1.02 -1.26 0.03 119.74 121.95 2jn3 s LYS 79 Ca -0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.50 2jn3 s LYS 79 Cb -0.01 -3.02 0.06 0.00 -0.52 0.00 0.00 37.83 34.33 2jn3 s LYS 79 CO -0.03 0.67 0.47 0.00 -0.92 0.00 0.00 175.35 175.54 2jn3 s THR 81 N 0.99 4.84 0.36 0.00 2.01 -1.26 -3.24 115.64 119.34 2jn3 s THR 81 Ca -0.06 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.65 2jn3 s THR 81 Cb -0.06 -4.48 -0.09 0.00 0.01 0.00 0.00 72.50 67.87 2jn3 s THR 81 CO -0.09 -1.12 1.19 -0.69 -0.69 0.00 0.00 174.62 173.23 2jn3 s VAL 82 N 2.64 3.11 0.01 3.82 1.01 -1.26 -4.68 120.40 125.05 2jn3 s VAL 82 Ca 0.11 1.01 -0.09 0.00 0.00 0.00 0.00 61.98 63.01 2jn3 s VAL 82 Cb -0.24 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2jn3 s VAL 82 CO 0.06 0.16 0.18 -1.38 0.00 0.00 0.00 175.10 174.12 2jn3 s HIS 83 N -1.30 0.01 -0.13 5.22 -3.43 -1.16 -3.20 115.29 111.31 2jn3 s HIS 83 Ca 0.53 -0.12 -0.14 0.00 -0.80 0.00 0.00 55.06 54.52 2jn3 s HIS 83 Cb -0.33 -0.02 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 2jn3 s HIS 83 CO 0.43 -0.35 0.34 -0.51 -2.00 0.00 0.00 174.74 172.65 2jn3 s LEU 84 N -1.59 4.29 -0.03 5.38 1.02 -1.26 -1.65 118.68 124.85 2jn3 s LEU 84 Ca -0.12 0.63 -0.01 0.00 0.02 0.00 0.00 54.13 54.65 2jn3 s LEU 84 Cb -0.05 -2.45 0.03 0.00 0.02 0.00 0.00 46.19 43.74 2jn3 s LEU 84 CO 0.00 0.13 0.05 0.00 0.02 0.00 0.00 176.35 176.56 2jn3 s ALA 85 N 0.20 -0.02 -1.38 4.21 0.00 -0.53 -4.80 121.76 119.44 2jn3 s ALA 85 Ca 0.19 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2jn3 s ALA 85 Cb -0.14 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.72 2jn3 s ALA 85 CO 0.06 -0.11 0.00 0.09 0.00 0.00 0.00 175.76 175.81 2jn3 n ASN 86 N 4.03 -4.72 -0.44 0.00 3.02 -1.26 -1.18 115.26 114.71 2jn3 n ASN 86 Ca -0.25 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2jn3 n ASN 86 Cb 0.52 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 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 -0.03 0.92 3.45 7.41 0.00 -1.26 -5.07 105.19 110.61 2jn3 n GLY 87 Ca -0.13 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.96 0.56 0.10 1.61 1.02 -0.33 -4.94 119.74 113.80 2jn3 s LYS 88 Ca 0.00 0.96 -0.31 0.00 0.02 0.00 0.00 55.97 56.64 2jn3 s LYS 88 Cb 0.00 0.10 -0.07 0.00 -0.52 0.00 0.00 37.83 37.35 2jn3 s LYS 88 CO 0.00 -0.14 1.25 -1.17 -0.92 0.00 0.00 175.35 174.37 2jn3 s LEU 89 N 1.29 4.38 -0.03 3.17 0.20 -1.23 -1.46 118.68 125.01 2jn3 s LEU 89 Ca -0.08 2.13 -0.01 0.00 0.69 0.00 0.00 54.13 56.86 2jn3 s LEU 89 Cb -0.06 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 42.14 2jn3 s LEU 89 CO -0.13 -0.50 0.03 -0.69 -0.29 0.00 0.00 176.35 174.77 2jn3 s VAL 90 N 0.87 -0.00 -0.58 1.68 1.01 -0.66 -1.86 120.40 120.86 2jn3 s VAL 90 Ca 0.59 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2jn3 s VAL 90 Cb -0.32 -0.18 0.15 0.00 0.00 0.00 0.00 36.38 36.03 2jn3 s VAL 90 CO 0.31 0.15 0.37 -0.89 0.00 0.00 0.00 175.10 175.03 2jn3 s THR 91 N 1.56 3.24 0.71 3.92 2.01 0.61 -2.96 115.64 124.73 2jn3 s THR 91 Ca -0.03 -3.13 -0.07 0.00 0.31 0.00 0.00 61.69 58.77 2jn3 s THR 91 Cb -0.13 -3.16 0.06 0.00 0.01 0.00 0.00 72.50 69.28 2jn3 s THR 91 CO -0.03 -0.85 1.03 -1.59 -0.69 0.00 0.00 174.62 172.50 2jn3 s LYS 92 N -0.18 2.23 0.00 4.92 -2.85 -1.26 -2.18 119.74 120.42 2jn3 s LYS 92 Ca 0.17 -0.17 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 2jn3 s LYS 92 Cb -0.23 -2.14 0.00 0.00 -2.06 0.00 0.00 37.83 33.40 2jn3 s LYS 92 CO -0.02 -1.25 0.00 0.45 0.10 0.00 0.00 175.35 174.63 2jn3 n SER 93 N -2.96 0.00 -1.65 0.03 2.88 -1.05 -4.68 113.62 106.19 2jn3 n SER 93 Ca 0.08 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.46 2jn3 n SER 93 Cb 0.60 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.21 2jn3 n SER 93 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jn3 n GLU 94 N 0.00 2.28 0.00 -1.46 2.13 -1.26 -4.50 120.64 117.84 2jn3 n GLU 94 Ca 0.00 -3.32 0.00 0.00 0.66 0.00 0.00 57.16 54.50 2jn3 n GLU 94 Cb 0.00 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 29.69 2jn3 n GLU 94 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2jn3 n LYS 95 N -1.04 0.00 0.00 5.31 2.85 -1.26 -5.14 118.16 118.88 2jn3 n LYS 95 Ca 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 2jn3 n LYS 95 Cb 1.08 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.46 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 -4.26 5.58 1.16 -1.26 -4.80 117.46 113.88 2jn3 n PHE 96 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.30 2jn3 n PHE 96 Cb 0.09 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.90 2jn3 n PHE 96 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2jn3 s SER 97 N 0.00 4.37 -0.22 5.98 0.15 -1.04 -2.54 113.70 120.40 2jn3 s SER 97 Ca 0.00 -1.30 -0.19 0.00 0.70 0.00 0.00 55.95 55.16 2jn3 s SER 97 Cb 0.00 0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 2jn3 s SER 97 CO 0.00 -0.78 0.58 -2.28 1.20 0.00 0.00 173.24 171.96 2jn3 s HIS 98 N -2.73 -0.69 -0.16 3.44 5.04 -0.93 -3.70 115.29 115.56 2jn3 s HIS 98 Ca 0.29 1.62 -0.07 0.00 -1.54 0.00 0.00 55.06 55.35 2jn3 s HIS 98 Cb 0.02 0.28 0.06 0.00 0.04 0.00 0.00 32.58 32.98 2jn3 s HIS 98 CO 0.17 -0.34 0.35 -2.00 -2.34 0.00 0.00 174.74 170.58 2jn3 s GLU 99 N 0.57 0.30 0.23 2.88 2.12 0.21 -0.29 118.70 124.73 2jn3 s GLU 99 Ca -0.02 0.78 0.08 0.00 0.36 0.00 0.00 54.97 56.16 2jn3 s GLU 99 Cb -0.05 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.32 2jn3 s GLU 99 CO -0.03 -0.20 -0.13 -1.14 -0.54 0.00 0.00 175.26 173.22 2jn3 s GLN 100 N 1.77 1.43 -0.10 4.30 0.74 -0.78 0.32 119.66 127.34 2jn3 s GLN 100 Ca -0.06 -1.66 -0.30 0.00 0.05 0.00 0.00 55.36 53.39 2jn3 s GLN 100 Cb -0.10 -1.21 0.08 0.00 1.10 0.00 0.00 33.01 32.88 2jn3 s GLN 100 CO -0.11 0.17 0.75 -2.00 -0.55 0.00 0.00 175.29 173.55 2jn3 s GLU 101 N -3.65 0.94 0.01 1.67 -6.30 0.62 -3.47 118.70 108.51 2jn3 s GLU 101 Ca 0.25 0.32 0.06 0.00 -2.50 0.00 0.00 54.97 53.11 2jn3 s GLU 101 Cb -0.00 0.44 -0.03 0.00 0.00 0.00 0.00 34.13 34.54 2jn3 s GLU 101 CO 0.09 -0.27 -0.18 0.54 0.02 0.00 0.00 175.26 175.46 2jn3 s VAL 102 N -0.98 2.79 -0.38 3.70 0.11 -1.26 0.21 120.40 124.59 2jn3 s VAL 102 Ca -0.08 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 57.93 2jn3 s VAL 102 Cb -0.01 -2.13 0.13 0.00 -1.53 0.00 0.00 36.38 32.84 2jn3 s VAL 102 CO 0.07 0.43 0.19 -0.54 -3.33 0.00 0.00 175.10 171.93 2jn3 s LYS 103 N -1.16 0.92 5.96 1.54 1.02 0.02 -4.71 119.74 123.33 2jn3 s LYS 103 Ca 0.13 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.57 2jn3 s LYS 103 Cb -0.10 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2jn3 s LYS 103 CO 0.03 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 2jn3 n GLY 104 N 4.05 1.69 0.58 -3.33 0.00 -1.26 -2.99 105.19 103.92 2jn3 n GLY 104 Ca 0.06 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 9.95 2.90 -4.47 1.61 0.23 -1.26 -4.83 115.26 119.39 2jn3 n ASN 105 Ca 0.00 -2.13 -0.26 0.00 -0.53 0.00 0.00 54.58 51.66 2jn3 n ASN 105 Cb 0.00 -0.24 -0.11 0.00 -2.08 0.00 0.00 39.78 37.35 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2jn3 s GLU 106 N -1.23 1.67 0.01 -3.83 2.02 -1.16 -2.25 118.70 113.93 2jn3 s GLU 106 Ca 0.22 -1.50 0.06 0.00 0.02 0.00 0.00 54.97 53.78 2jn3 s GLU 106 Cb 0.13 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 2jn3 s GLU 106 CO 0.13 0.40 -0.20 -1.64 0.02 0.00 0.00 175.26 173.97 2jn3 s MET 107 N -2.84 1.49 -0.11 1.61 -1.94 0.49 -0.80 119.30 117.20 2jn3 s MET 107 Ca 0.23 -0.78 -0.00 0.00 -1.71 0.00 0.00 55.69 53.43 2jn3 s MET 107 Cb -0.08 -1.49 0.02 0.00 2.01 0.00 0.00 34.83 35.29 2jn3 s MET 107 CO 0.12 0.40 -0.08 0.08 -0.01 0.00 0.00 175.02 175.53 2jn3 s VAL 108 N -0.59 1.04 -0.25 -6.03 1.01 0.13 0.80 120.40 116.51 2jn3 s VAL 108 Ca 0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2jn3 s VAL 108 Cb -0.08 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2jn3 s VAL 108 CO 0.00 0.36 0.05 -1.61 0.00 0.00 0.00 175.10 173.90 2jn3 s GLU 109 N 1.55 3.51 -0.24 2.72 2.02 0.16 -0.28 118.70 128.14 2jn3 s GLU 109 Ca 0.02 -0.56 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 2jn3 s GLU 109 Cb -0.13 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 2jn3 s GLU 109 CO -0.06 -0.23 0.03 0.95 0.02 0.00 0.00 175.26 175.97 2jn3 s THR 110 N 1.57 3.93 -0.05 3.63 -4.23 0.98 -0.63 115.64 120.84 2jn3 s THR 110 Ca 0.06 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.26 2jn3 s THR 110 Cb -0.15 -2.84 0.01 0.00 1.34 0.00 0.00 72.50 70.86 2jn3 s THR 110 CO 0.02 0.35 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.72 2jn3 s ILE 111 N 1.56 0.96 -0.05 2.99 1.01 -0.85 0.66 121.20 127.48 2jn3 s ILE 111 Ca 0.06 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2jn3 s ILE 111 Cb -0.15 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2jn3 s ILE 111 CO 0.01 0.31 -0.07 0.28 0.00 0.00 0.00 174.94 175.47 2jn3 s THR 112 N 0.55 3.69 -0.28 2.92 -1.32 -1.24 -0.09 115.64 119.87 2jn3 s THR 112 Ca -0.11 -0.57 -0.15 0.00 -1.21 0.00 0.00 61.69 59.66 2jn3 s THR 112 Cb -0.14 -2.54 0.10 0.00 -1.51 0.00 0.00 72.50 68.41 2jn3 s THR 112 CO 0.02 0.54 0.72 0.12 -2.21 0.00 0.00 174.62 173.81 2jn3 s PHE 113 N -0.87 -1.05 -0.88 9.09 2.19 0.16 -2.50 117.98 124.12 2jn3 s PHE 113 Ca 0.14 2.04 -0.02 0.00 0.33 0.00 0.00 56.93 59.42 2jn3 s PHE 113 Cb -0.11 0.63 0.00 0.00 -1.31 0.00 0.00 43.02 42.23 2jn3 s PHE 113 CO 0.03 -0.52 0.26 0.41 1.83 0.00 0.00 175.22 177.23 2jn3 n GLY 114 N 4.43 -0.01 2.36 13.12 0.00 -1.26 -2.00 105.19 121.83 2jn3 n GLY 114 Ca -0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.13 0.50 3.41 -0.02 0.00 -1.26 -4.99 105.19 101.69 2jn3 n GLY 115 Ca -0.08 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.80 2.66 -0.10 1.61 1.01 -0.85 -5.12 120.40 117.81 2jn3 s VAL 116 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2jn3 s VAL 116 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2jn3 s VAL 116 CO 0.00 0.58 -0.11 -0.89 0.00 0.00 0.00 175.10 174.68 2jn3 s THR 117 N -0.63 3.26 0.12 3.92 2.01 -1.26 0.40 115.64 123.46 2jn3 s THR 117 Ca 0.10 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.56 2jn3 s THR 117 Cb -0.11 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 2jn3 s THR 117 CO 0.00 0.55 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.14 2jn3 s LEU 118 N -0.10 2.93 -0.37 4.42 2.96 0.88 -4.90 118.68 124.50 2jn3 s LEU 118 Ca -0.01 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2jn3 s LEU 118 Cb -0.14 -1.73 0.12 0.00 0.50 0.00 0.00 46.19 44.94 2jn3 s LEU 118 CO 0.03 0.17 0.17 -0.63 -1.32 0.00 0.00 176.35 174.77 2jn3 s ILE 119 N -1.26 1.17 -0.07 6.68 1.01 -1.26 -2.01 121.20 125.47 2jn3 s ILE 119 Ca 0.21 -2.01 -0.21 0.00 0.00 0.00 0.00 60.65 58.64 2jn3 s ILE 119 Cb -0.11 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2jn3 s ILE 119 CO 0.13 -0.79 0.60 -0.60 0.00 0.00 0.00 174.94 174.28 2jn3 s ARG 120 N 0.96 4.37 -0.19 2.79 3.52 0.20 -3.59 118.95 127.01 2jn3 s ARG 120 Ca 0.14 0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 56.40 2jn3 s ARG 120 Cb -0.21 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2jn3 s ARG 120 CO -0.11 0.18 -0.04 1.03 -0.81 0.00 0.00 175.30 175.56 2jn3 s ARG 121 N 0.46 3.52 0.11 5.12 0.52 -0.15 0.37 118.95 128.90 2jn3 s ARG 121 Ca 0.32 -0.58 0.10 0.00 -0.52 0.00 0.00 55.73 55.05 2jn3 s ARG 121 Cb -0.17 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 2jn3 s ARG 121 CO 0.15 0.01 -0.24 -1.12 0.02 0.00 0.00 175.30 174.12 2jn3 s SER 122 N 0.97 2.99 0.16 0.23 0.01 0.24 -2.24 113.70 116.06 2jn3 s SER 122 Ca 0.00 -0.71 0.09 0.00 1.31 0.00 0.00 55.95 56.65 2jn3 s SER 122 Cb -0.15 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2jn3 s SER 122 CO 0.01 0.14 -0.13 -0.75 0.41 0.00 0.00 173.24 172.92 2jn3 s LYS 123 N -1.92 1.94 0.13 12.44 2.20 -0.64 0.18 119.74 134.08 2jn3 s LYS 123 Ca 0.11 -1.26 -0.30 0.00 -0.36 0.00 0.00 55.97 54.15 2jn3 s LYS 123 Cb -0.10 -2.12 -0.06 0.00 -1.51 0.00 0.00 37.83 34.04 2jn3 s LYS 123 CO 0.05 0.44 1.02 0.50 -0.36 0.00 0.00 175.35 177.00 2jn3 s ARG 124 N -2.62 4.65 0.00 4.03 3.52 -0.95 -0.80 118.95 126.77 2jn3 s ARG 124 Ca 0.23 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 2jn3 s ARG 124 Cb -0.09 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 2jn3 s ARG 124 CO 0.13 0.14 0.27 0.28 -0.81 0.00 0.00 175.30 175.31