#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 0.00 -3.58 0.00 -1.00 -1.97 -3.45 116.94 106.94 2jn3 h PHE 2 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 2jn3 h PHE 2 Cb 0.00 0.00 0.13 0.00 3.61 0.00 0.00 35.95 39.69 2jn3 h PHE 2 CO 0.00 0.77 0.48 0.43 -1.61 0.00 0.00 178.31 178.38 2jn3 n SER 3 N -3.59 2.46 0.00 2.17 7.64 -1.26 -4.58 113.62 116.46 2jn3 n SER 3 Ca -0.01 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2jn3 n SER 3 Cb 0.76 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 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 0.84 0.66 3.48 0.23 0.00 -0.10 -4.93 105.19 105.35 2jn3 n GLY 4 Ca 0.07 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.90 3.63 0.03 2.61 2.01 -1.26 -1.04 115.64 120.73 2jn3 s THR 5 Ca 0.00 -0.46 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2jn3 s THR 5 Cb 0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 2jn3 s THR 5 CO 0.00 0.52 -0.25 0.26 -0.69 0.00 0.00 174.62 174.46 2jn3 s TRP 6 N 0.15 2.37 -0.16 4.92 0.52 -0.57 -2.30 118.94 123.87 2jn3 s TRP 6 Ca -0.03 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.70 2jn3 s TRP 6 Cb -0.14 -1.43 0.03 0.00 -1.15 0.00 0.00 33.47 30.78 2jn3 s TRP 6 CO 0.03 0.11 -0.11 -1.14 0.02 0.00 0.00 176.95 175.86 2jn3 s GLN 7 N -1.10 2.00 0.15 4.98 0.74 -0.15 -1.63 119.66 124.65 2jn3 s GLN 7 Ca 0.12 -0.59 -0.31 0.00 0.05 0.00 0.00 55.36 54.62 2jn3 s GLN 7 Cb -0.10 -2.11 -0.09 0.00 1.10 0.00 0.00 33.01 31.80 2jn3 s GLN 7 CO 0.02 -0.32 1.50 0.08 -0.55 0.00 0.00 175.29 176.01 2jn3 s VAL 8 N 1.51 2.86 0.00 1.34 1.01 -1.26 -1.93 120.40 123.93 2jn3 s VAL 8 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2jn3 s VAL 8 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2jn3 s VAL 8 CO -0.09 0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.06 2jn3 n TYR 9 N 3.87 0.00 -3.86 5.22 0.18 -0.88 -4.80 117.16 116.89 2jn3 n TYR 9 Ca 0.13 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.77 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 -0.98 0.11 -0.14 -3.48 0.00 -1.21 -5.05 121.76 111.01 2jn3 s ALA 10 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 2jn3 s ALA 10 Cb 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.05 2jn3 s ALA 10 CO 0.00 -0.04 0.26 1.14 0.00 0.00 0.00 175.76 177.12 2jn3 s GLN 11 N 0.53 0.16 0.14 0.00 -2.07 -1.26 -1.27 119.66 115.90 2jn3 s GLN 11 Ca -0.05 0.67 -0.04 0.00 -1.82 0.00 0.00 55.36 54.12 2jn3 s GLN 11 Cb -0.07 -0.21 -0.05 0.00 -1.09 0.00 0.00 33.01 31.59 2jn3 s GLN 11 CO -0.01 -0.35 0.36 -2.00 -1.32 0.00 0.00 175.29 171.97 2jn3 s GLU 12 N 2.41 3.60 -1.42 9.60 2.12 -1.23 -4.13 118.70 129.65 2jn3 s GLU 12 Ca 0.03 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.22 2jn3 s GLU 12 Cb -0.13 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.40 2jn3 s GLU 12 CO -0.09 0.47 0.00 0.09 -0.54 0.00 0.00 175.26 175.19 2jn3 n ASN 13 N 0.04 -3.87 -0.19 -1.70 3.02 -1.26 -4.07 115.26 107.24 2jn3 n ASN 13 Ca -0.03 0.30 -0.04 0.00 -0.03 0.00 0.00 54.58 54.78 2jn3 n ASN 13 Cb 0.52 -3.49 0.06 0.00 -0.61 0.00 0.00 39.78 36.25 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2jn3 h TYR 14 N 0.00 0.57 0.24 3.10 3.20 -1.95 -1.66 116.97 120.47 2jn3 h TYR 14 Ca -0.30 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 2jn3 h TYR 14 Cb 1.01 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2jn3 h TYR 14 CO 0.47 0.30 -0.12 1.49 -1.64 0.00 0.00 178.16 178.67 2jn3 h GLU 15 N 0.60 -0.31 -0.13 1.82 4.81 -1.92 -2.39 114.58 117.06 2jn3 h GLU 15 Ca 0.23 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2jn3 h GLU 15 Cb 0.09 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2jn3 h GLU 15 CO -0.13 0.04 -0.30 0.93 -0.73 0.00 0.00 179.01 178.82 2jn3 h GLU 16 N -0.74 -0.26 -0.85 1.92 5.08 -1.92 0.41 114.58 118.23 2jn3 h GLU 16 Ca -0.03 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.55 2jn3 h GLU 16 Cb 0.49 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 2jn3 h GLU 16 CO 0.05 -0.18 0.31 0.35 -1.00 0.00 0.00 179.01 178.55 2jn3 h PHE 17 N -0.27 0.50 -0.40 4.33 3.04 -1.40 0.57 116.94 123.31 2jn3 h PHE 17 Ca 0.03 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 2jn3 h PHE 17 Cb 0.35 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 2jn3 h PHE 17 CO -0.58 -0.08 0.18 -0.07 -2.02 0.00 0.00 178.31 175.74 2jn3 h LEU 18 N 0.34 0.54 -1.67 0.59 3.38 -0.56 -2.32 115.31 115.62 2jn3 h LEU 18 Ca 0.51 -0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.54 2jn3 h LEU 18 Cb 0.96 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2jn3 h LEU 18 CO -0.54 0.54 0.57 0.11 0.09 0.00 0.00 178.44 179.21 2jn3 h LYS 19 N 0.51 0.27 -0.16 1.13 1.57 0.21 0.18 116.57 120.28 2jn3 h LYS 19 Ca 0.14 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 2jn3 h LYS 19 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2jn3 h LYS 19 CO -0.01 0.18 -0.44 0.00 -0.57 0.00 0.00 179.45 178.60 2jn3 h ALA 20 N 1.61 0.94 0.00 3.86 0.00 -1.03 -2.67 119.26 121.98 2jn3 h ALA 20 Ca 0.43 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jn3 h ALA 20 Cb 1.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jn3 h ALA 20 CO -0.12 0.64 -0.00 -0.07 0.00 0.00 0.00 179.25 179.70 2jn3 h LEU 21 N 0.32 0.00 -1.48 0.00 4.07 -0.53 -3.46 115.31 114.23 2jn3 h LEU 21 Ca 0.02 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 2jn3 h LEU 21 Cb 0.91 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.70 2jn3 h LEU 21 CO 0.08 0.00 -0.25 0.00 -1.08 0.00 0.00 178.44 177.18 2jn3 n ALA 22 N -2.13 -0.60 -1.95 1.53 0.00 -1.01 -5.03 120.51 111.32 2jn3 n ALA 22 Ca -0.03 0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 2jn3 n ALA 22 Cb 0.07 -1.63 0.06 0.00 0.00 0.00 0.00 19.45 17.95 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 -3.38 2.90 0.19 0.00 1.43 -1.26 -5.03 118.68 113.54 2jn3 s LEU 23 Ca 0.09 0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 2jn3 s LEU 23 Cb -0.04 -3.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.95 2jn3 s LEU 23 CO 0.25 -1.49 1.18 -2.16 0.23 0.00 0.00 176.35 174.36 2jn3 s PRO 24 N -5.18 4.51 0.58 1.29 0.04 -1.26 -4.88 135.00 130.10 2jn3 s PRO 24 Ca 0.59 1.85 0.27 0.00 0.04 0.00 0.00 61.00 63.76 2jn3 s PRO 24 Cb -0.11 -3.24 1.58 0.00 0.04 0.00 0.00 34.50 32.77 2jn3 s PRO 24 CO 0.44 -0.06 2.07 1.49 0.04 0.00 0.00 177.00 180.99 2jn3 h GLU 25 N 5.15 0.00 -0.41 4.56 4.81 -1.98 -0.09 114.58 126.62 2jn3 h GLU 25 Ca -0.45 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.66 2jn3 h GLU 25 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2jn3 h GLU 25 CO 0.74 0.00 -0.23 0.22 -0.73 0.00 0.00 179.01 179.01 2jn3 h ASP 26 N 0.00 0.84 0.19 1.04 3.58 -2.00 -2.21 116.42 117.86 2jn3 h ASP 26 Ca 0.11 -0.31 -0.33 0.00 0.42 0.00 0.00 57.03 56.93 2jn3 h ASP 26 Cb 0.58 -0.23 0.02 0.00 1.72 0.00 0.00 39.33 41.41 2jn3 h ASP 26 CO -0.00 1.04 -1.58 0.25 -2.88 0.00 0.00 179.24 176.06 2jn3 h LEU 27 N 0.71 0.64 0.01 2.28 5.85 -1.48 -3.16 115.31 120.16 2jn3 h LEU 27 Ca 0.10 -0.92 0.01 0.00 0.84 0.00 0.00 57.88 57.91 2jn3 h LEU 27 Cb 0.76 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2jn3 h LEU 27 CO 0.06 1.73 -0.09 0.40 -0.34 0.00 0.00 178.44 180.19 2jn3 h ILE 28 N 0.03 0.77 0.00 4.05 2.04 -1.12 0.62 117.51 123.90 2jn3 h ILE 28 Ca -0.31 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2jn3 h ILE 28 Cb 2.04 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 2jn3 h ILE 28 CO 0.18 0.00 -0.08 0.11 0.00 0.00 0.00 178.15 178.36 2jn3 h LYS 29 N -0.17 0.00 0.00 2.37 1.79 -1.55 0.31 116.57 119.32 2jn3 h LYS 29 Ca 0.03 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.41 2jn3 h LYS 29 Cb 0.20 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2jn3 h LYS 29 CO -0.09 0.08 -0.80 1.98 -1.08 0.00 0.00 179.45 179.55 2jn3 h MET 30 N 0.00 0.00 -0.66 3.15 4.05 -1.26 -3.28 114.93 116.93 2jn3 h MET 30 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2jn3 h MET 30 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2jn3 h MET 30 CO 0.01 0.29 0.00 0.00 0.23 0.00 0.00 176.91 177.44 2jn3 n ALA 31 N -2.25 2.54 1.66 0.39 0.00 0.21 -4.29 120.51 118.75 2jn3 n ALA 31 Ca -0.02 -1.38 0.15 0.00 0.00 0.00 0.00 53.44 52.19 2jn3 n ALA 31 Cb 0.71 -0.88 0.82 0.00 0.00 0.00 0.00 19.45 20.10 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 1.34 0.71 -2.71 0.00 1.85 0.01 -3.84 116.66 114.01 2jn3 n ARG 32 Ca 0.23 0.01 -0.04 0.00 -1.00 0.00 0.00 57.85 57.04 2jn3 n ARG 32 Cb 0.67 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.67 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 -1.13 -0.36 -4.01 2.89 -0.08 -1.26 -5.04 116.55 107.57 2jn3 n ASP 33 Ca 0.19 -2.35 -0.31 0.00 -1.51 0.00 0.00 54.79 50.81 2jn3 n ASP 33 Cb 0.16 0.29 -0.16 0.00 2.34 0.00 0.00 41.12 43.75 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 -1.35 1.76 -0.90 5.18 1.01 -1.25 -5.06 121.20 120.59 2jn3 s ILE 34 Ca 0.20 -1.18 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 2jn3 s ILE 34 Cb 0.41 -1.86 0.17 0.00 0.01 0.00 0.00 42.46 41.19 2jn3 s ILE 34 CO -0.06 0.10 0.99 -0.54 0.00 0.00 0.00 174.94 175.43 2jn3 s LYS 35 N 1.32 3.64 0.36 2.79 3.01 -1.26 -5.02 119.74 124.58 2jn3 s LYS 35 Ca -0.03 -2.11 -0.26 0.00 -1.01 0.00 0.00 55.97 52.55 2jn3 s LYS 35 Cb -0.17 -4.72 -0.09 0.00 -1.01 0.00 0.00 37.83 31.84 2jn3 s LYS 35 CO -0.07 -1.57 1.11 -1.25 0.51 0.00 0.00 175.35 174.08 2jn3 s PRO 36 N 1.53 4.29 0.50 -1.68 0.04 -1.26 -4.77 135.00 133.65 2jn3 s PRO 36 Ca 0.27 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 2jn3 s PRO 36 Cb -0.07 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 2jn3 s PRO 36 CO -0.09 -0.09 0.77 0.42 0.04 0.00 0.00 177.00 178.06 2jn3 s ILE 37 N -1.40 4.24 -0.06 0.56 1.01 -1.04 -3.98 121.20 120.53 2jn3 s ILE 37 Ca 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 2jn3 s ILE 37 Cb -0.29 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.61 2jn3 s ILE 37 CO 0.36 -0.55 0.10 -0.69 0.00 0.00 0.00 174.94 174.17 2jn3 s VAL 38 N -2.74 -0.17 -0.13 2.92 1.01 -0.65 -2.33 120.40 118.32 2jn3 s VAL 38 Ca 0.49 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.77 2jn3 s VAL 38 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 2jn3 s VAL 38 CO 0.42 0.14 0.14 -0.70 0.00 0.00 0.00 175.10 175.10 2jn3 s GLU 39 N 2.22 3.52 -0.07 2.72 2.12 -0.97 -1.50 118.70 126.72 2jn3 s GLU 39 Ca 0.04 -0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.27 2jn3 s GLU 39 Cb -0.12 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.06 2jn3 s GLU 39 CO -0.04 0.73 -0.19 0.42 -0.54 0.00 0.00 175.26 175.63 2jn3 s ILE 40 N -0.88 1.64 -0.41 -3.70 1.01 -0.20 -2.00 121.20 116.66 2jn3 s ILE 40 Ca 0.14 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.07 2jn3 s ILE 40 Cb -0.12 -1.43 0.26 0.00 0.01 0.00 0.00 42.46 41.18 2jn3 s ILE 40 CO 0.03 0.47 0.55 1.67 0.00 0.00 0.00 174.94 177.66 2jn3 n GLN 41 N 3.39 0.89 -1.53 2.79 7.27 -0.81 -0.93 117.38 128.47 2jn3 n GLN 41 Ca -0.19 -3.36 -0.29 0.00 0.07 0.00 0.00 57.00 53.22 2jn3 n GLN 41 Cb 0.52 -1.33 0.17 0.00 2.41 0.00 0.00 30.24 32.01 2jn3 n GLN 41 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2jn3 s GLN 42 N -1.37 0.50 -0.36 3.69 -2.07 -1.26 -3.84 119.66 114.96 2jn3 s GLN 42 Ca 0.36 0.04 0.07 0.00 -1.82 0.00 0.00 55.36 54.01 2jn3 s GLN 42 Cb 0.18 -1.79 0.28 0.00 -1.09 0.00 0.00 33.01 30.60 2jn3 s GLN 42 CO -0.10 -2.58 1.26 1.63 -1.32 0.00 0.00 175.29 174.18 2jn3 n LYS 43 N -3.99 0.88 0.00 9.60 5.02 -1.10 -4.98 118.16 123.61 2jn3 n LYS 43 Ca 0.10 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 2jn3 n LYS 43 Cb 0.59 0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 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 -0.65 1.59 0.22 0.72 0.00 -1.26 -4.57 105.19 101.24 2jn3 n GLY 44 Ca -0.11 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 0.01 1.19 -4.88 1.61 8.00 -1.26 -4.99 116.55 116.22 2jn3 n ASP 45 Ca 0.00 -1.09 -0.31 0.00 0.71 0.00 0.00 54.79 54.10 2jn3 n ASP 45 Cb 0.00 0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.28 6.14 -0.02 -2.24 -1.08 -1.26 -0.17 116.67 116.76 2jn3 s ASP 46 Ca 0.08 0.20 0.02 0.00 -0.52 0.00 0.00 52.55 52.33 2jn3 s ASP 46 Cb 0.08 -1.84 0.00 0.00 -1.46 0.00 0.00 42.92 39.70 2jn3 s ASP 46 CO 0.23 0.18 -0.08 -0.36 0.52 0.00 0.00 175.17 175.66 2jn3 s PHE 47 N -1.47 0.82 -0.25 -5.34 0.40 -0.32 -2.70 117.98 109.12 2jn3 s PHE 47 Ca 0.33 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 2jn3 s PHE 47 Cb -0.13 -0.57 0.07 0.00 0.51 0.00 0.00 43.02 42.90 2jn3 s PHE 47 CO 0.26 -0.07 -0.04 0.08 0.70 0.00 0.00 175.22 176.15 2jn3 s VAL 48 N 0.09 1.63 -0.11 -0.44 1.01 -1.25 -1.73 120.40 119.60 2jn3 s VAL 48 Ca -0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 2jn3 s VAL 48 Cb -0.07 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2jn3 s VAL 48 CO 0.00 -0.17 -0.06 -0.69 0.00 0.00 0.00 175.10 174.18 2jn3 s VAL 49 N 1.33 3.74 -0.23 2.92 1.01 -0.72 -1.92 120.40 126.54 2jn3 s VAL 49 Ca -0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2jn3 s VAL 49 Cb -0.19 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.68 2jn3 s VAL 49 CO -0.07 0.55 0.04 -0.89 0.00 0.00 0.00 175.10 174.72 2jn3 s THR 50 N -0.19 0.76 0.03 3.92 2.01 -0.85 -0.70 115.64 120.62 2jn3 s THR 50 Ca 0.03 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 2jn3 s THR 50 Cb -0.13 -1.31 -0.06 0.00 0.01 0.00 0.00 72.50 71.01 2jn3 s THR 50 CO 0.03 -0.32 0.66 -0.44 -0.69 0.00 0.00 174.62 173.86 2jn3 s SER 51 N 1.73 7.09 -0.11 3.53 0.01 -0.21 -2.30 113.70 123.44 2jn3 s SER 51 Ca 0.01 1.30 -0.00 0.00 1.31 0.00 0.00 55.95 58.57 2jn3 s SER 51 Cb -0.17 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2jn3 s SER 51 CO -0.12 0.09 -0.09 -0.54 0.41 0.00 0.00 173.24 172.99 2jn3 s LYS 52 N -0.27 1.65 0.39 12.44 1.02 -0.98 -0.65 119.74 133.34 2jn3 s LYS 52 Ca 0.34 -0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.10 2jn3 s LYS 52 Cb -0.19 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 2jn3 s LYS 52 CO 0.20 -0.24 0.34 0.99 -0.92 0.00 0.00 175.35 175.72 2jn3 s THR 53 N 1.59 2.89 -0.08 2.17 2.01 0.28 -2.50 115.64 122.01 2jn3 s THR 53 Ca 0.03 -1.38 0.30 0.00 0.31 0.00 0.00 61.69 60.96 2jn3 s THR 53 Cb -0.13 -3.05 0.37 0.00 0.01 0.00 0.00 72.50 69.71 2jn3 s THR 53 CO -0.08 -0.05 1.87 1.55 -0.69 0.00 0.00 174.62 177.22 2jn3 h PRO 54 N 1.12 0.00 0.00 4.92 0.13 -2.00 -3.16 132.00 133.01 2jn3 h PRO 54 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jn3 h PRO 54 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jn3 h PRO 54 CO 0.58 0.00 -1.69 -2.13 -0.23 0.00 0.00 178.00 174.53 2jn3 n ARG 55 N -3.05 0.46 -3.47 0.86 0.63 -1.26 -5.04 116.66 105.79 2jn3 n ARG 55 Ca 0.02 -0.14 -0.11 0.00 -0.92 0.00 0.00 57.85 56.70 2jn3 n ARG 55 Cb 0.37 -1.36 -0.02 0.00 0.45 0.00 0.00 32.46 31.89 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 -3.04 1.04 -0.04 -0.14 -2.07 -1.19 -5.16 119.66 109.05 2jn3 s GLN 56 Ca -0.06 -0.33 0.02 0.00 -1.82 0.00 0.00 55.36 53.18 2jn3 s GLN 56 Cb 0.10 0.48 0.01 0.00 -1.09 0.00 0.00 33.01 32.51 2jn3 s GLN 56 CO 0.62 -0.45 -0.08 0.95 -1.32 0.00 0.00 175.29 175.02 2jn3 s THR 57 N -3.21 0.76 -0.06 3.63 -4.23 -1.26 0.99 115.64 112.26 2jn3 s THR 57 Ca 0.02 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2jn3 s THR 57 Cb -0.01 -0.72 0.01 0.00 1.34 0.00 0.00 72.50 73.12 2jn3 s THR 57 CO -0.09 0.26 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.44 2jn3 s VAL 58 N 0.64 1.08 -0.08 2.29 1.01 0.18 -4.96 120.40 120.55 2jn3 s VAL 58 Ca -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2jn3 s VAL 58 Cb -0.13 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2jn3 s VAL 58 CO 0.01 0.34 -0.10 0.28 0.00 0.00 0.00 175.10 175.63 2jn3 s THR 59 N 0.55 3.38 0.05 3.92 -1.32 -1.26 -1.04 115.64 119.92 2jn3 s THR 59 Ca -0.12 -0.58 0.04 0.00 -1.21 0.00 0.00 61.69 59.82 2jn3 s THR 59 Cb -0.14 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.44 2jn3 s THR 59 CO 0.03 0.57 -0.11 0.20 -2.21 0.00 0.00 174.62 173.10 2jn3 s ASN 60 N -0.42 1.30 -0.04 8.08 0.02 0.12 -4.91 114.94 119.09 2jn3 s ASN 60 Ca 0.05 -0.56 -0.01 0.00 -1.02 0.00 0.00 52.86 51.32 2jn3 s ASN 60 Cb -0.12 -0.02 0.03 0.00 0.02 0.00 0.00 41.25 41.16 2jn3 s ASN 60 CO 0.02 -0.12 0.07 -0.55 0.02 0.00 0.00 177.10 176.54 2jn3 s SER 61 N -1.58 0.01 0.21 -1.22 0.15 -1.26 -1.75 113.70 108.25 2jn3 s SER 61 Ca -0.05 0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.68 2jn3 s SER 61 Cb -0.10 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 2jn3 s SER 61 CO 0.01 -0.14 0.24 0.72 1.20 0.00 0.00 173.24 175.28 2jn3 s PHE 62 N 1.11 0.86 0.07 3.44 -0.12 -0.71 -4.77 117.98 117.87 2jn3 s PHE 62 Ca -0.09 -1.14 0.09 0.00 -0.05 0.00 0.00 56.93 55.74 2jn3 s PHE 62 Cb -0.12 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 2jn3 s PHE 62 CO -0.04 -0.74 -0.23 0.99 -0.05 0.00 0.00 175.22 175.15 2jn3 s THR 63 N -4.10 2.46 -0.05 -4.49 2.01 -1.26 -1.17 115.64 109.03 2jn3 s THR 63 Ca 0.32 -1.44 -0.30 0.00 0.31 0.00 0.00 61.69 60.58 2jn3 s THR 63 Cb 0.05 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 2jn3 s THR 63 CO 0.10 0.25 1.16 -0.76 -0.69 0.00 0.00 174.62 174.68 2jn3 s LEU 64 N -1.63 4.28 0.00 4.42 1.43 0.76 -2.90 118.68 125.05 2jn3 s LEU 64 Ca 0.14 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2jn3 s LEU 64 Cb -0.10 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2jn3 s LEU 64 CO 0.05 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2jn3 n GLY 65 N 3.29 0.89 3.06 -3.19 0.00 -1.16 -4.88 105.19 103.19 2jn3 n GLY 65 Ca 0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.77 0.22 -0.01 1.61 1.02 -1.14 -5.11 119.74 115.56 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 0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.31 2jn3 s LYS 66 CO 0.00 -0.05 1.58 -2.00 -0.92 0.00 0.00 175.35 173.96 2jn3 s GLU 67 N 0.33 4.21 0.01 1.68 2.12 -1.26 -4.47 118.70 121.32 2jn3 s GLU 67 Ca -0.02 2.16 0.06 0.00 0.36 0.00 0.00 54.97 57.53 2jn3 s GLU 67 Cb -0.03 -3.76 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 2jn3 s GLU 67 CO -0.01 -0.74 -0.17 0.00 -0.54 0.00 0.00 175.26 173.79 2jn3 s ALA 68 N 3.19 1.43 0.41 6.30 0.00 -1.22 -4.96 121.76 126.92 2jn3 s ALA 68 Ca 0.71 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 51.61 2jn3 s ALA 68 Cb -0.35 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 2jn3 s ALA 68 CO 0.29 0.33 1.15 -0.51 0.00 0.00 0.00 175.76 177.02 2jn3 s ASP 69 N -0.69 6.52 0.01 0.00 1.11 -1.26 -2.24 116.67 120.11 2jn3 s ASP 69 Ca 0.06 2.29 0.02 0.00 0.18 0.00 0.00 52.55 55.10 2jn3 s ASP 69 Cb -0.07 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.30 2jn3 s ASP 69 CO 0.00 -0.67 -0.07 -0.63 1.18 0.00 0.00 175.17 174.97 2jn3 s ILE 70 N -1.47 0.56 -0.10 0.77 -1.09 0.19 -4.70 121.20 115.36 2jn3 s ILE 70 Ca 0.58 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 2jn3 s ILE 70 Cb -0.29 -0.52 -0.01 0.00 -1.58 0.00 0.00 42.46 40.06 2jn3 s ILE 70 CO 0.36 0.01 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.03 2jn3 s THR 71 N -0.49 2.81 0.51 2.92 2.01 -1.26 -2.21 115.64 119.93 2jn3 s THR 71 Ca -0.00 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 2jn3 s THR 71 Cb -0.05 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2jn3 s THR 71 CO 0.00 0.55 0.82 -0.89 -0.69 0.00 0.00 174.62 174.41 2jn3 s THR 72 N 0.11 4.60 0.14 -0.82 2.01 -0.00 -4.94 115.64 116.74 2jn3 s THR 72 Ca -0.08 0.18 0.32 0.00 0.31 0.00 0.00 61.69 62.43 2jn3 s THR 72 Cb -0.15 -3.77 0.37 0.00 0.01 0.00 0.00 72.50 68.96 2jn3 s THR 72 CO 0.05 -0.77 1.98 -0.03 -0.69 0.00 0.00 174.62 175.16 2jn3 h MET 73 N 0.11 0.00 0.00 4.92 4.05 -1.97 -2.41 114.93 119.62 2jn3 h MET 73 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 2jn3 h MET 73 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 2jn3 h MET 73 CO 0.61 0.04 0.00 0.38 0.23 0.00 0.00 176.91 178.18 2jn3 h ASP 74 N 0.00 0.00 0.00 1.39 3.04 -2.04 -3.46 116.42 115.35 2jn3 h ASP 74 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2jn3 h ASP 74 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 2jn3 h ASP 74 CO 0.01 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 2jn3 n GLY 75 N 1.17 1.58 3.84 7.15 0.00 -0.91 -5.10 105.19 112.91 2jn3 n GLY 75 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.18 3.77 -0.12 1.61 1.02 -1.25 -4.89 119.74 119.69 2jn3 s LYS 76 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.13 2jn3 s LYS 76 Cb 0.00 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2jn3 s LYS 76 CO 0.00 0.66 -0.13 0.15 -0.92 0.00 0.00 175.35 175.11 2jn3 s LYS 77 N -0.82 3.27 0.02 1.68 1.02 -1.26 -0.82 119.74 122.82 2jn3 s LYS 77 Ca 0.19 -0.69 -0.27 0.00 0.02 0.00 0.00 55.97 55.22 2jn3 s LYS 77 Cb -0.14 -2.60 0.09 0.00 -0.52 0.00 0.00 37.83 34.66 2jn3 s LYS 77 CO 0.08 0.27 0.75 -0.48 -0.92 0.00 0.00 175.35 175.05 2jn3 s LEU 78 N 0.20 -0.50 0.08 3.17 2.34 -0.94 -5.02 118.68 118.01 2jn3 s LEU 78 Ca -0.08 0.21 0.01 0.00 0.06 0.00 0.00 54.13 54.33 2jn3 s LEU 78 Cb -0.15 2.32 -0.04 0.00 -0.56 0.00 0.00 46.19 47.76 2jn3 s LEU 78 CO 0.05 -0.71 0.21 -0.54 -1.06 0.00 0.00 176.35 174.30 2jn3 s LYS 79 N -2.66 3.38 -0.25 1.48 1.02 -1.26 -0.64 119.74 120.81 2jn3 s LYS 79 Ca -0.01 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 55.31 2jn3 s LYS 79 Cb -0.01 -2.99 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 2jn3 s LYS 79 CO -0.05 0.59 0.63 0.00 -0.92 0.00 0.00 175.35 175.60 2jn3 s THR 81 N 1.16 4.87 0.29 0.00 2.01 -1.26 -3.44 115.64 119.27 2jn3 s THR 81 Ca -0.07 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 2jn3 s THR 81 Cb -0.05 -4.44 -0.10 0.00 0.01 0.00 0.00 72.50 67.92 2jn3 s THR 81 CO -0.12 -1.04 1.16 -0.69 -0.69 0.00 0.00 174.62 173.24 2jn3 s VAL 82 N 2.56 3.27 0.05 3.82 1.01 -1.26 -4.71 120.40 125.13 2jn3 s VAL 82 Ca 0.11 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.37 2jn3 s VAL 82 Cb -0.24 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2jn3 s VAL 82 CO 0.07 0.30 -0.04 -1.38 0.00 0.00 0.00 175.10 174.05 2jn3 s HIS 83 N -1.11 0.49 -0.19 5.22 -3.43 -1.20 -3.00 115.29 112.08 2jn3 s HIS 83 Ca 0.46 -0.84 -0.09 0.00 -0.80 0.00 0.00 55.06 53.79 2jn3 s HIS 83 Cb -0.34 -0.34 -0.05 0.00 -1.43 0.00 0.00 32.58 30.42 2jn3 s HIS 83 CO 0.44 -0.27 0.13 -0.51 -2.00 0.00 0.00 174.74 172.53 2jn3 s LEU 84 N -2.36 4.22 -0.11 5.38 1.02 -1.26 -1.93 118.68 123.63 2jn3 s LEU 84 Ca -0.01 0.26 -0.02 0.00 0.02 0.00 0.00 54.13 54.38 2jn3 s LEU 84 Cb 0.01 -2.08 0.04 0.00 0.02 0.00 0.00 46.19 44.17 2jn3 s LEU 84 CO -0.06 0.21 0.02 0.00 0.02 0.00 0.00 176.35 176.55 2jn3 s ALA 85 N 0.16 0.72 -1.87 4.21 0.00 -0.82 -4.79 121.76 119.37 2jn3 s ALA 85 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2jn3 s ALA 85 Cb -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.14 2jn3 s ALA 85 CO -0.01 -0.70 0.00 -1.71 0.00 0.00 0.00 175.76 173.34 2jn3 n ASN 86 N 5.14 -5.85 -1.39 0.00 5.15 -1.26 -2.29 115.26 114.76 2jn3 n ASN 86 Ca -0.07 0.08 -0.04 0.00 -0.60 0.00 0.00 54.58 53.96 2jn3 n ASN 86 Cb 0.49 -4.92 0.02 0.00 -0.53 0.00 0.00 39.78 34.84 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jn3 n GLY 87 N -0.90 0.36 3.59 8.20 0.00 -1.26 -5.06 105.19 110.12 2jn3 n GLY 87 Ca -0.24 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.46 0.56 0.35 1.61 1.02 -0.97 -4.84 119.74 113.01 2jn3 s LYS 88 Ca 0.02 1.40 -0.28 0.00 0.02 0.00 0.00 55.97 57.13 2jn3 s LYS 88 Cb -0.01 0.82 -0.10 0.00 -0.52 0.00 0.00 37.83 38.02 2jn3 s LYS 88 CO 0.14 -0.23 1.30 -1.17 -0.92 0.00 0.00 175.35 174.47 2jn3 s LEU 89 N 2.88 4.38 -0.16 3.17 0.20 -1.17 -1.94 118.68 126.04 2jn3 s LEU 89 Ca -0.04 2.67 -0.06 0.00 0.69 0.00 0.00 54.13 57.39 2jn3 s LEU 89 Cb -0.12 -3.71 0.07 0.00 -0.43 0.00 0.00 46.19 42.00 2jn3 s LEU 89 CO -0.19 -0.60 0.34 -0.69 -0.29 0.00 0.00 176.35 174.92 2jn3 s VAL 90 N -1.17 -0.49 -0.51 1.68 1.01 -0.81 -1.76 120.40 118.35 2jn3 s VAL 90 Ca 0.51 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 2jn3 s VAL 90 Cb -0.39 -0.54 0.13 0.00 0.00 0.00 0.00 36.38 35.58 2jn3 s VAL 90 CO 0.52 0.09 0.31 -0.89 0.00 0.00 0.00 175.10 175.13 2jn3 s THR 91 N 2.42 3.48 0.53 3.92 2.01 0.12 -3.22 115.64 124.89 2jn3 s THR 91 Ca -0.01 -2.49 -0.02 0.00 0.31 0.00 0.00 61.69 59.48 2jn3 s THR 91 Cb -0.12 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2jn3 s THR 91 CO -0.11 -0.78 0.79 -1.59 -0.69 0.00 0.00 174.62 172.24 2jn3 s LYS 92 N 0.57 2.92 0.00 4.92 -2.85 -1.26 -1.19 119.74 122.85 2jn3 s LYS 92 Ca 0.12 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.78 2jn3 s LYS 92 Cb -0.22 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 2jn3 s LYS 92 CO -0.04 -0.52 0.00 0.45 0.10 0.00 0.00 175.35 175.34 2jn3 n SER 93 N -2.34 0.00 -1.87 0.03 2.88 -0.91 -4.75 113.62 106.67 2jn3 n SER 93 Ca 0.04 -0.25 -0.19 0.00 -1.33 0.00 0.00 58.87 57.13 2jn3 n SER 93 Cb 0.58 0.00 0.17 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 2.21 0.00 -1.46 2.13 -1.26 -4.41 120.64 117.85 2jn3 n GLU 94 Ca 0.00 -3.16 0.00 0.00 0.66 0.00 0.00 57.16 54.66 2jn3 n GLU 94 Cb 0.00 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 29.64 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 -1.10 0.00 0.00 5.31 2.85 -1.26 -5.14 118.16 118.82 2jn3 n LYS 95 Ca 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.77 2jn3 n LYS 95 Cb 1.31 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.69 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 -4.77 117.46 113.71 2jn3 n PHE 96 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.34 2jn3 n PHE 96 Cb 0.11 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.88 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 3.69 -0.05 5.98 0.01 -0.70 -2.13 113.70 120.51 2jn3 s SER 97 Ca 0.00 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.23 2jn3 s SER 97 Cb 0.00 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2jn3 s SER 97 CO 0.00 0.04 0.12 -2.28 0.41 0.00 0.00 173.24 171.53 2jn3 s HIS 98 N -2.49 -0.13 -0.17 2.43 5.04 -0.33 -2.88 115.29 116.76 2jn3 s HIS 98 Ca 0.30 0.33 -0.09 0.00 -1.54 0.00 0.00 55.06 54.07 2jn3 s HIS 98 Cb -0.05 0.03 0.06 0.00 0.04 0.00 0.00 32.58 32.66 2jn3 s HIS 98 CO 0.16 -0.07 0.40 -1.21 -2.34 0.00 0.00 174.74 171.68 2jn3 s GLU 99 N 0.17 0.38 0.09 2.88 2.02 0.19 0.11 118.70 124.52 2jn3 s GLU 99 Ca -0.01 0.79 0.04 0.00 0.02 0.00 0.00 54.97 55.82 2jn3 s GLU 99 Cb -0.02 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.17 2jn3 s GLU 99 CO -0.00 -0.17 -0.11 -1.14 0.02 0.00 0.00 175.26 173.86 2jn3 s GLN 100 N 1.48 0.82 0.08 1.61 0.74 -0.72 0.38 119.66 124.05 2jn3 s GLN 100 Ca -0.09 -1.09 -0.17 0.00 0.05 0.00 0.00 55.36 54.06 2jn3 s GLN 100 Cb -0.09 -0.58 0.04 0.00 1.10 0.00 0.00 33.01 33.48 2jn3 s GLN 100 CO -0.13 0.10 0.41 -2.00 -0.55 0.00 0.00 175.29 173.13 2jn3 s GLU 101 N -2.47 0.98 -0.04 1.67 2.12 0.42 -3.02 118.70 118.37 2jn3 s GLU 101 Ca 0.03 -0.50 0.07 0.00 0.36 0.00 0.00 54.97 54.93 2jn3 s GLU 101 Cb -0.05 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 2jn3 s GLU 101 CO 0.01 -0.36 -0.24 0.54 -0.54 0.00 0.00 175.26 174.67 2jn3 s VAL 102 N -3.01 1.94 -0.42 3.70 0.11 -1.26 -0.03 120.40 121.43 2jn3 s VAL 102 Ca -0.02 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.02 2jn3 s VAL 102 Cb 0.00 -1.63 0.12 0.00 -1.53 0.00 0.00 36.38 33.35 2jn3 s VAL 102 CO -0.06 0.55 0.20 -0.54 -3.33 0.00 0.00 175.10 171.91 2jn3 s LYS 103 N -0.36 1.29 5.36 1.54 1.02 0.13 -4.99 119.74 123.72 2jn3 s LYS 103 Ca 0.03 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.12 2jn3 s LYS 103 Cb -0.11 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 2jn3 s LYS 103 CO 0.01 -1.10 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 2jn3 n GLY 104 N 3.80 1.78 0.41 -3.33 0.00 -1.26 -3.00 105.19 103.59 2jn3 n GLY 104 Ca 0.06 -0.25 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 9.02 2.48 -4.53 1.61 4.13 -1.26 -4.82 115.26 121.89 2jn3 n ASN 105 Ca 0.00 -1.90 -0.24 0.00 1.68 0.00 0.00 54.58 54.11 2jn3 n ASN 105 Cb 0.00 -0.13 -0.09 0.00 -1.54 0.00 0.00 39.78 38.01 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 -0.95 1.89 0.01 3.52 2.02 -1.16 -1.89 118.70 122.14 2jn3 s GLU 106 Ca 0.15 -1.58 0.04 0.00 0.02 0.00 0.00 54.97 53.60 2jn3 s GLU 106 Cb 0.08 -1.94 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 2jn3 s GLU 106 CO 0.10 0.36 -0.14 -1.64 0.02 0.00 0.00 175.26 173.97 2jn3 s MET 107 N -3.39 1.02 -0.09 1.61 -1.94 0.48 -0.69 119.30 116.29 2jn3 s MET 107 Ca 0.29 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 2jn3 s MET 107 Cb -0.06 -1.00 0.02 0.00 2.01 0.00 0.00 34.83 35.80 2jn3 s MET 107 CO 0.16 0.26 -0.11 0.08 -0.01 0.00 0.00 175.02 175.40 2jn3 s VAL 108 N -0.52 1.18 -0.18 -6.03 1.01 0.96 0.15 120.40 116.97 2jn3 s VAL 108 Ca 0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 2jn3 s VAL 108 Cb -0.06 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 2jn3 s VAL 108 CO 0.00 0.38 -0.01 -1.61 0.00 0.00 0.00 175.10 173.86 2jn3 s GLU 109 N 1.08 3.66 -0.22 2.72 2.02 0.30 -0.44 118.70 127.82 2jn3 s GLU 109 Ca -0.06 -0.51 -0.00 0.00 0.02 0.00 0.00 54.97 54.42 2jn3 s GLU 109 Cb -0.15 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.08 2jn3 s GLU 109 CO -0.01 0.12 -0.12 0.99 0.02 0.00 0.00 175.26 176.25 2jn3 s THR 110 N 0.72 2.52 -0.08 3.63 2.01 1.24 -0.02 115.64 125.66 2jn3 s THR 110 Ca -0.00 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2jn3 s THR 110 Cb -0.14 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2jn3 s THR 110 CO 0.02 0.31 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.47 2jn3 s ILE 111 N 1.29 1.45 -0.09 1.82 1.01 -0.72 0.53 121.20 126.49 2jn3 s ILE 111 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2jn3 s ILE 111 Cb -0.16 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2jn3 s ILE 111 CO -0.08 0.43 0.01 -0.89 0.00 0.00 0.00 174.94 174.41 2jn3 s THR 112 N 0.59 4.38 -0.29 2.92 2.01 -1.14 -0.11 115.64 124.00 2jn3 s THR 112 Ca -0.15 -0.22 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 2jn3 s THR 112 Cb -0.16 -2.85 0.11 0.00 0.01 0.00 0.00 72.50 69.60 2jn3 s THR 112 CO 0.05 0.60 0.72 0.12 -0.69 0.00 0.00 174.62 175.42 2jn3 s PHE 113 N -0.85 -1.09 -0.96 4.92 2.19 0.21 -1.71 117.98 120.69 2jn3 s PHE 113 Ca 0.13 2.05 -0.05 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 0.65 0.41 1.83 0.00 0.00 175.22 177.60 2jn3 n GLY 114 N 4.64 -0.08 2.69 13.12 0.00 -1.26 -1.62 105.19 122.69 2jn3 n GLY 114 Ca -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.43 0.27 3.58 -0.02 0.00 -1.26 -4.97 105.19 101.36 2jn3 n GLY 115 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.60 3.64 -0.11 1.61 1.01 -0.64 -5.11 120.40 119.20 2jn3 s VAL 116 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2jn3 s VAL 116 Cb 0.00 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2jn3 s VAL 116 CO 0.00 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 174.54 2jn3 s THR 117 N -0.87 2.44 0.07 3.92 2.01 -1.26 0.68 115.64 122.62 2jn3 s THR 117 Ca 0.14 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.30 2jn3 s THR 117 Cb -0.11 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 2jn3 s THR 117 CO 0.04 0.55 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.26 2jn3 s LEU 118 N 0.27 3.32 -0.33 4.42 2.96 0.84 -4.89 118.68 125.26 2jn3 s LEU 118 Ca -0.14 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2jn3 s LEU 118 Cb -0.17 -2.02 0.10 0.00 0.50 0.00 0.00 46.19 44.60 2jn3 s LEU 118 CO 0.07 0.21 0.10 -0.63 -1.32 0.00 0.00 176.35 174.78 2jn3 s ILE 119 N -1.21 1.26 -0.21 6.68 1.01 -1.26 -1.76 121.20 125.72 2jn3 s ILE 119 Ca 0.22 -1.75 -0.17 0.00 0.00 0.00 0.00 60.65 58.96 2jn3 s ILE 119 Cb -0.11 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2jn3 s ILE 119 CO 0.14 -0.68 0.44 -0.13 0.00 0.00 0.00 174.94 174.71 2jn3 s ARG 120 N 1.31 4.17 -0.20 2.79 0.52 0.98 -3.55 118.95 124.97 2jn3 s ARG 120 Ca 0.11 0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 55.51 2jn3 s ARG 120 Cb -0.18 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 2jn3 s ARG 120 CO -0.19 -0.10 0.09 1.03 0.02 0.00 0.00 175.30 176.16 2jn3 s ARG 121 N 1.49 3.99 0.22 3.54 0.52 -0.39 0.11 118.95 128.43 2jn3 s ARG 121 Ca 0.21 -0.33 0.08 0.00 -0.52 0.00 0.00 55.73 55.17 2jn3 s ARG 121 Cb -0.15 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 2jn3 s ARG 121 CO 0.09 0.18 -0.15 -1.12 0.02 0.00 0.00 175.30 174.32 2jn3 s SER 122 N 0.65 2.73 0.20 0.23 0.01 0.39 -2.06 113.70 115.84 2jn3 s SER 122 Ca 0.05 -1.03 0.09 0.00 1.31 0.00 0.00 55.95 56.37 2jn3 s SER 122 Cb -0.13 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 2jn3 s SER 122 CO 0.01 -0.14 -0.18 -0.75 0.41 0.00 0.00 173.24 172.59 2jn3 s LYS 123 N -3.63 1.38 0.06 12.44 2.20 -0.81 0.18 119.74 131.56 2jn3 s LYS 123 Ca 0.24 -1.53 -0.28 0.00 -0.36 0.00 0.00 55.97 54.04 2jn3 s LYS 123 Cb -0.01 -1.41 -0.05 0.00 -1.51 0.00 0.00 37.83 34.84 2jn3 s LYS 123 CO 0.08 0.27 0.89 0.50 -0.36 0.00 0.00 175.35 176.74 2jn3 s ARG 124 N -3.11 4.60 0.00 4.03 3.52 -0.79 -0.97 118.95 126.22 2jn3 s ARG 124 Ca 0.20 1.30 0.26 0.00 -0.13 0.00 0.00 55.73 57.37 2jn3 s ARG 124 Cb -0.05 -3.39 0.72 0.00 -1.56 0.00 0.00 34.95 30.67 2jn3 s ARG 124 CO 0.08 0.17 1.56 0.28 -0.81 0.00 0.00 175.30 176.58