#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 -3.74 0.00 -1.00 -1.97 -3.45 116.94 106.78 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 0.64 0.51 -1.13 -1.61 0.00 0.00 178.31 176.72 2jn3 n SER 3 N -3.49 2.48 0.00 2.17 3.41 -1.26 -4.62 113.62 112.30 2jn3 n SER 3 Ca 0.00 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 2jn3 n SER 3 Cb 0.71 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 0.82 0.81 3.58 5.00 0.00 0.06 -4.94 105.19 110.53 2jn3 n GLY 4 Ca 0.08 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.99 4.07 -0.03 2.61 2.01 -1.26 -0.88 115.64 121.17 2jn3 s THR 5 Ca 0.00 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.76 2jn3 s THR 5 Cb 0.00 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 2jn3 s THR 5 CO 0.00 0.54 -0.24 0.26 -0.69 0.00 0.00 174.62 174.48 2jn3 s TRP 6 N -0.16 2.22 -0.13 4.92 0.52 -0.09 -2.02 118.94 124.20 2jn3 s TRP 6 Ca 0.04 -0.46 0.02 0.00 0.02 0.00 0.00 56.10 55.72 2jn3 s TRP 6 Cb -0.13 -1.43 0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2jn3 s TRP 6 CO 0.02 -0.07 -0.20 -1.14 0.02 0.00 0.00 176.95 175.59 2jn3 s GLN 7 N -0.50 2.73 0.07 4.98 0.74 -0.59 -1.40 119.66 125.70 2jn3 s GLN 7 Ca 0.07 -0.75 -0.31 0.00 0.05 0.00 0.00 55.36 54.43 2jn3 s GLN 7 Cb -0.10 -2.22 -0.09 0.00 1.10 0.00 0.00 33.01 31.70 2jn3 s GLN 7 CO -0.00 -0.02 1.79 0.14 -0.55 0.00 0.00 175.29 176.66 2jn3 s VAL 8 N 0.83 2.91 0.00 1.34 -7.23 -1.26 -1.82 120.40 115.17 2jn3 s VAL 8 Ca -0.08 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2jn3 s VAL 8 Cb -0.15 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.63 2jn3 s VAL 8 CO -0.01 -0.01 0.28 0.00 -0.31 0.00 0.00 175.10 175.06 2jn3 n TYR 9 N 6.27 0.00 -3.58 2.82 4.11 -0.61 -4.92 117.16 121.25 2jn3 n TYR 9 Ca 0.18 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.90 58.03 2jn3 n TYR 9 Cb 0.40 -0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.69 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 -2.23 0.16 -3.48 0.00 -1.19 -5.02 121.76 109.92 2jn3 s ALA 10 Ca 0.00 2.27 -0.08 0.00 0.00 0.00 0.00 51.96 54.14 2jn3 s ALA 10 Cb 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2jn3 s ALA 10 CO 0.00 -0.89 0.26 1.14 0.00 0.00 0.00 175.76 176.27 2jn3 s GLN 11 N 2.67 1.12 0.06 0.00 0.00 -1.26 -0.37 119.66 121.88 2jn3 s GLN 11 Ca -0.05 -1.17 0.02 0.00 -0.00 0.00 0.00 55.36 54.15 2jn3 s GLN 11 Cb -0.10 0.37 -0.03 0.00 0.00 0.00 0.00 33.01 33.25 2jn3 s GLN 11 CO -0.19 -0.40 -0.07 -2.00 0.00 0.00 0.00 175.29 172.63 2jn3 s GLU 12 N -3.96 0.64 -1.49 9.60 2.12 -1.19 -4.81 118.70 119.59 2jn3 s GLU 12 Ca 0.17 -0.96 -0.14 0.00 0.36 0.00 0.00 54.97 54.39 2jn3 s GLU 12 Cb 0.04 -0.26 0.12 0.00 0.26 0.00 0.00 34.13 34.29 2jn3 s GLU 12 CO -0.01 0.02 0.68 0.09 -0.54 0.00 0.00 175.26 175.51 2jn3 n ASN 13 N 0.92 -3.60 -0.01 -1.70 3.02 -1.26 -4.28 115.26 108.36 2jn3 n ASN 13 Ca -0.19 -0.72 -0.13 0.00 -0.03 0.00 0.00 54.58 53.52 2jn3 n ASN 13 Cb 0.57 -2.95 -0.08 0.00 -0.61 0.00 0.00 39.78 36.71 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 -1.32 0.08 -0.32 3.10 3.20 -1.96 -2.36 116.97 117.40 2jn3 h TYR 14 Ca -0.51 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.33 2jn3 h TYR 14 Cb 1.34 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 2jn3 h TYR 14 CO 0.65 0.40 0.17 0.93 -1.64 0.00 0.00 178.16 178.67 2jn3 h GLU 15 N -0.26 0.45 -0.78 1.82 3.07 -1.90 -2.67 114.58 114.31 2jn3 h GLU 15 Ca 0.01 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 58.91 2jn3 h GLU 15 Cb 0.37 -0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 28.13 2jn3 h GLU 15 CO 0.00 0.39 0.43 0.93 -1.40 0.00 0.00 179.01 179.37 2jn3 h GLU 16 N 0.40 0.71 0.37 2.33 5.08 -1.94 -2.28 114.58 119.25 2jn3 h GLU 16 Ca 0.11 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2jn3 h GLU 16 Cb 0.08 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2jn3 h GLU 16 CO -0.02 0.47 -0.41 0.35 -1.00 0.00 0.00 179.01 178.41 2jn3 h PHE 17 N 0.73 -1.11 -1.00 4.33 3.57 -1.08 -1.73 116.94 120.65 2jn3 h PHE 17 Ca 0.38 0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.09 2jn3 h PHE 17 Cb 0.35 0.44 -0.10 0.00 2.79 0.00 0.00 35.95 39.43 2jn3 h PHE 17 CO -0.07 -0.55 0.62 -0.07 -2.23 0.00 0.00 178.31 176.00 2jn3 h LEU 18 N -0.81 0.69 -1.11 0.59 -0.00 -1.28 0.17 115.31 113.55 2jn3 h LEU 18 Ca -0.03 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2jn3 h LEU 18 Cb 0.73 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.32 2jn3 h LEU 18 CO -0.08 0.22 0.56 0.11 -0.00 0.00 0.00 178.44 179.24 2jn3 h LYS 19 N 0.66 1.16 -0.25 1.13 1.57 -0.78 -2.58 116.57 117.49 2jn3 h LYS 19 Ca 0.57 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 59.10 2jn3 h LYS 19 Cb 1.04 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2jn3 h LYS 19 CO -0.35 0.78 -0.53 0.00 -0.57 0.00 0.00 179.45 178.78 2jn3 h ALA 20 N 1.43 0.40 -0.33 3.86 0.00 -0.11 -2.95 119.26 121.54 2jn3 h ALA 20 Ca 0.32 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2jn3 h ALA 20 Cb -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jn3 h ALA 20 CO -0.06 0.60 0.34 1.25 0.00 0.00 0.00 179.25 181.37 2jn3 h LEU 21 N 0.54 0.00 0.00 0.00 5.85 -0.92 -3.45 115.31 117.33 2jn3 h LEU 21 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jn3 h LEU 21 Cb 1.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2jn3 h LEU 21 CO 0.12 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.22 2jn3 n ALA 22 N -2.37 0.00 -0.93 1.25 0.00 -1.11 -5.05 120.51 112.30 2jn3 n ALA 22 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.21 2jn3 n ALA 22 Cb 0.50 -0.27 0.21 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 1.17 0.14 0.00 1.43 -1.23 -4.95 118.68 115.23 2jn3 s LEU 23 Ca 0.00 1.24 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 2jn3 s LEU 23 Cb 0.00 -3.28 -0.07 0.00 0.03 0.00 0.00 46.19 42.87 2jn3 s LEU 23 CO 0.00 -3.64 1.21 -2.16 0.23 0.00 0.00 176.35 171.98 2jn3 s PRO 24 N -4.80 4.46 0.19 1.29 0.04 -1.26 -4.92 135.00 130.00 2jn3 s PRO 24 Ca 0.67 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.43 2jn3 s PRO 24 Cb -0.21 -3.28 0.22 0.00 0.04 0.00 0.00 34.50 31.28 2jn3 s PRO 24 CO 0.60 -0.16 1.69 1.49 0.04 0.00 0.00 177.00 180.66 2jn3 h GLU 25 N 5.90 0.17 -1.07 4.56 4.57 -1.98 0.10 114.58 126.82 2jn3 h GLU 25 Ca -0.43 -0.01 0.29 0.00 -1.18 0.00 0.00 59.36 58.02 2jn3 h GLU 25 Cb 1.21 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.68 2jn3 h GLU 25 CO 0.78 0.11 0.70 0.22 -1.18 0.00 0.00 179.01 179.64 2jn3 h ASP 26 N 0.17 0.38 0.72 1.04 1.82 -2.01 0.31 116.42 118.85 2jn3 h ASP 26 Ca 0.27 0.08 -0.25 0.00 -0.39 0.00 0.00 57.03 56.74 2jn3 h ASP 26 Cb 0.40 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2jn3 h ASP 26 CO -0.40 0.06 -1.13 0.25 -1.61 0.00 0.00 179.24 176.40 2jn3 h LEU 27 N 0.32 0.29 0.20 2.28 5.85 -1.21 -3.21 115.31 119.84 2jn3 h LEU 27 Ca 0.60 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2jn3 h LEU 27 Cb 1.66 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.60 2jn3 h LEU 27 CO -0.27 1.22 -0.10 0.40 -0.34 0.00 0.00 178.44 179.35 2jn3 h ILE 28 N 0.06 0.84 -0.06 4.05 2.04 0.48 0.66 117.51 125.58 2jn3 h ILE 28 Ca -0.09 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2jn3 h ILE 28 Cb 1.86 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 2jn3 h ILE 28 CO 0.18 0.05 0.06 0.11 0.00 0.00 0.00 178.15 178.54 2jn3 h LYS 29 N -0.37 0.00 0.00 2.37 1.57 -1.46 0.90 116.57 119.57 2jn3 h LYS 29 Ca -0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2jn3 h LYS 29 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2jn3 h LYS 29 CO 0.05 0.00 -1.38 -0.12 -0.57 0.00 0.00 179.45 177.43 2jn3 n MET 30 N -3.94 0.62 0.00 3.15 1.56 -0.85 -4.03 117.12 113.63 2jn3 n MET 30 Ca -0.02 0.12 0.10 0.00 -0.27 0.00 0.00 57.70 57.64 2jn3 n MET 30 Cb 0.15 -1.77 -0.03 0.00 2.15 0.00 0.00 33.22 33.73 2jn3 n MET 30 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jn3 n ALA 31 N -2.32 3.73 0.80 -5.12 0.00 0.22 -4.23 120.51 113.59 2jn3 n ALA 31 Ca -0.07 -0.61 0.07 0.00 0.00 0.00 0.00 53.44 52.84 2jn3 n ALA 31 Cb 0.71 -0.74 0.41 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.36 0.31 -2.74 0.00 -4.01 0.30 -3.19 116.66 106.97 2jn3 n ARG 32 Ca 0.08 0.09 -0.03 0.00 -1.04 0.00 0.00 57.85 56.95 2jn3 n ARG 32 Cb 0.41 -1.50 0.07 0.00 -3.04 0.00 0.00 32.46 28.41 2jn3 n ARG 32 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2jn3 n ASP 33 N -1.19 0.33 -4.06 2.89 5.75 -1.26 -4.90 116.55 114.12 2jn3 n ASP 33 Ca 0.09 -2.27 -0.32 0.00 -0.01 0.00 0.00 54.79 52.27 2jn3 n ASP 33 Cb 0.10 -0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.03 2jn3 n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2jn3 s ILE 34 N -2.15 2.12 -1.02 2.12 1.01 -1.19 -5.05 121.20 117.04 2jn3 s ILE 34 Ca 0.22 -1.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.09 2jn3 s ILE 34 Cb 0.39 -2.24 0.15 0.00 0.01 0.00 0.00 42.46 40.77 2jn3 s ILE 34 CO -0.05 -0.04 1.20 -0.54 0.00 0.00 0.00 174.94 175.51 2jn3 s LYS 35 N 1.12 3.77 0.43 2.79 1.02 -1.26 -5.01 119.74 122.61 2jn3 s LYS 35 Ca -0.09 -2.11 -0.23 0.00 0.02 0.00 0.00 55.97 53.56 2jn3 s LYS 35 Cb -0.20 -4.92 -0.08 0.00 -0.52 0.00 0.00 37.83 32.10 2jn3 s LYS 35 CO -0.05 -1.73 1.09 -1.25 -0.92 0.00 0.00 175.35 172.49 2jn3 s PRO 36 N 2.07 3.99 0.45 -1.68 0.04 -1.26 -4.80 135.00 133.80 2jn3 s PRO 36 Ca 0.35 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 2jn3 s PRO 36 Cb -0.05 -2.46 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 2jn3 s PRO 36 CO -0.06 -0.32 0.70 0.42 0.04 0.00 0.00 177.00 177.78 2jn3 s ILE 37 N -1.64 4.45 -0.05 0.56 1.01 -1.03 -4.03 121.20 120.48 2jn3 s ILE 37 Ca 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 2jn3 s ILE 37 Cb -0.24 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.59 2jn3 s ILE 37 CO 0.30 -0.53 0.04 -0.69 0.00 0.00 0.00 174.94 174.05 2jn3 s VAL 38 N -2.60 0.07 -0.15 2.92 1.01 -0.49 -2.54 120.40 118.62 2jn3 s VAL 38 Ca 0.47 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.69 2jn3 s VAL 38 Cb -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2jn3 s VAL 38 CO 0.40 0.20 0.07 -0.70 0.00 0.00 0.00 175.10 175.07 2jn3 s GLU 39 N 2.02 3.64 -0.08 2.72 2.12 -0.98 -0.91 118.70 127.21 2jn3 s GLU 39 Ca 0.04 -0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.11 2jn3 s GLU 39 Cb -0.12 -3.12 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 2jn3 s GLU 39 CO -0.04 0.49 -0.23 0.42 -0.54 0.00 0.00 175.26 175.36 2jn3 s ILE 40 N -0.25 1.99 -0.45 -3.70 1.01 -0.06 -1.93 121.20 117.81 2jn3 s ILE 40 Ca 0.08 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.80 2jn3 s ILE 40 Cb -0.12 -1.71 0.23 0.00 0.01 0.00 0.00 42.46 40.87 2jn3 s ILE 40 CO 0.01 0.55 0.51 1.67 0.00 0.00 0.00 174.94 177.68 2jn3 n GLN 41 N 3.36 0.91 -1.63 2.79 7.27 -0.86 -0.76 117.38 128.46 2jn3 n GLN 41 Ca -0.19 -3.49 -0.30 0.00 0.07 0.00 0.00 57.00 53.09 2jn3 n GLN 41 Cb 0.53 -1.54 0.08 0.00 2.41 0.00 0.00 30.24 31.71 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 -1.08 2.37 -0.39 3.69 -2.07 -1.26 -3.79 119.66 117.12 2jn3 s GLN 42 Ca 0.35 0.64 0.10 0.00 -1.82 0.00 0.00 55.36 54.62 2jn3 s GLN 42 Cb 0.12 -1.95 0.39 0.00 -1.09 0.00 0.00 33.01 30.49 2jn3 s GLN 42 CO -0.12 -1.42 1.34 1.63 -1.32 0.00 0.00 175.29 175.39 2jn3 n LYS 43 N -3.30 1.20 0.00 9.60 5.02 -1.03 -4.96 118.16 124.69 2jn3 n LYS 43 Ca 0.07 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 2jn3 n LYS 43 Cb 0.56 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 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 -0.58 1.43 0.46 0.72 0.00 -1.26 -4.52 105.19 101.44 2jn3 n GLY 44 Ca -0.02 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.19 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 2.02 -4.67 1.61 8.00 -1.26 -4.98 116.55 117.27 2jn3 n ASP 45 Ca 0.00 -1.51 -0.33 0.00 0.71 0.00 0.00 54.79 53.66 2jn3 n ASP 45 Cb 0.00 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 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 -0.92 5.05 0.02 -2.24 -1.08 -1.26 -0.08 116.67 116.16 2jn3 s ASP 46 Ca 0.14 -0.01 0.06 0.00 -0.52 0.00 0.00 52.55 52.22 2jn3 s ASP 46 Cb 0.09 -1.31 -0.02 0.00 -1.46 0.00 0.00 42.92 40.22 2jn3 s ASP 46 CO 0.14 0.29 -0.17 -0.36 0.52 0.00 0.00 175.17 175.59 2jn3 s PHE 47 N -1.05 1.51 -0.24 -5.34 0.40 -0.46 -2.46 117.98 110.34 2jn3 s PHE 47 Ca 0.18 -0.33 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 2jn3 s PHE 47 Cb -0.11 -0.92 0.07 0.00 0.51 0.00 0.00 43.02 42.57 2jn3 s PHE 47 CO 0.09 0.03 0.04 0.08 0.70 0.00 0.00 175.22 176.16 2jn3 s VAL 48 N -0.67 0.79 -0.12 -0.44 1.01 -1.25 -1.73 120.40 117.99 2jn3 s VAL 48 Ca 0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 2jn3 s VAL 48 Cb -0.08 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2jn3 s VAL 48 CO 0.01 -0.34 -0.03 -0.69 0.00 0.00 0.00 175.10 174.05 2jn3 s VAL 49 N 1.71 3.96 -0.21 2.92 1.01 -0.69 -2.02 120.40 127.07 2jn3 s VAL 49 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2jn3 s VAL 49 Cb -0.17 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.58 2jn3 s VAL 49 CO -0.13 0.55 0.01 -0.89 0.00 0.00 0.00 175.10 174.64 2jn3 s THR 50 N -0.23 0.83 -0.08 3.92 2.01 -0.82 -0.55 115.64 120.72 2jn3 s THR 50 Ca 0.04 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 2jn3 s THR 50 Cb -0.13 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 2jn3 s THR 50 CO 0.02 -0.20 0.46 -0.44 -0.69 0.00 0.00 174.62 173.77 2jn3 s SER 51 N 1.71 6.73 -0.09 3.53 0.01 -0.06 -2.32 113.70 123.21 2jn3 s SER 51 Ca -0.02 0.87 0.02 0.00 1.31 0.00 0.00 55.95 58.13 2jn3 s SER 51 Cb -0.18 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.78 2jn3 s SER 51 CO -0.08 0.09 -0.15 -0.54 0.41 0.00 0.00 173.24 172.97 2jn3 s LYS 52 N 0.15 2.09 0.41 12.44 1.02 -1.05 -0.36 119.74 134.44 2jn3 s LYS 52 Ca 0.25 -0.53 0.07 0.00 0.02 0.00 0.00 55.97 55.78 2jn3 s LYS 52 Cb -0.16 -1.71 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 2jn3 s LYS 52 CO 0.11 0.02 0.25 0.95 -0.92 0.00 0.00 175.35 175.77 2jn3 s THR 53 N 0.74 2.47 -1.11 2.17 -4.23 0.33 -2.45 115.64 113.55 2jn3 s THR 53 Ca -0.12 -1.56 0.19 0.00 -1.18 0.00 0.00 61.69 59.02 2jn3 s THR 53 Cb -0.16 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 70.89 2jn3 s THR 53 CO 0.03 -0.01 1.61 -0.81 -0.54 0.00 0.00 174.62 174.90 2jn3 n PRO 54 N -1.35 0.07 -0.00 3.99 -0.04 -1.26 -3.14 135.00 133.27 2jn3 n PRO 54 Ca 0.01 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.63 2jn3 n PRO 54 Cb 0.63 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 2jn3 n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jn3 n ARG 55 N -1.44 0.38 -3.47 0.54 0.63 -1.26 -5.08 116.66 106.96 2jn3 n ARG 55 Ca 0.06 -0.02 -0.11 0.00 -0.92 0.00 0.00 57.85 56.86 2jn3 n ARG 55 Cb 0.21 -1.07 -0.02 0.00 0.45 0.00 0.00 32.46 32.03 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 -2.19 1.15 -0.05 -0.14 -2.07 -1.19 -5.16 119.66 110.01 2jn3 s GLN 56 Ca -0.01 -0.44 0.02 0.00 -1.82 0.00 0.00 55.36 53.11 2jn3 s GLN 56 Cb 0.02 0.52 0.01 0.00 -1.09 0.00 0.00 33.01 32.47 2jn3 s GLN 56 CO 0.12 -0.50 -0.09 0.95 -1.32 0.00 0.00 175.29 174.44 2jn3 s THR 57 N -3.54 0.89 -0.07 3.63 -4.23 -1.26 0.12 115.64 111.17 2jn3 s THR 57 Ca 0.03 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.21 2jn3 s THR 57 Cb -0.01 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 73.01 2jn3 s THR 57 CO -0.11 0.29 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.44 2jn3 s VAL 58 N 0.63 1.24 -0.06 2.29 1.01 0.52 -4.97 120.40 121.06 2jn3 s VAL 58 Ca -0.11 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2jn3 s VAL 58 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2jn3 s VAL 58 CO 0.02 0.38 -0.10 -0.89 0.00 0.00 0.00 175.10 174.51 2jn3 s THR 59 N 0.69 3.39 0.06 3.92 2.01 -1.26 -0.88 115.64 123.56 2jn3 s THR 59 Ca -0.14 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2jn3 s THR 59 Cb -0.16 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2jn3 s THR 59 CO 0.04 0.59 -0.09 0.20 -0.69 0.00 0.00 174.62 174.67 2jn3 s ASN 60 N -0.74 1.05 -0.13 3.53 0.02 0.29 -4.88 114.94 114.08 2jn3 s ASN 60 Ca 0.11 -0.65 -0.07 0.00 -1.02 0.00 0.00 52.86 51.23 2jn3 s ASN 60 Cb -0.11 0.03 0.05 0.00 0.02 0.00 0.00 41.25 41.24 2jn3 s ASN 60 CO 0.01 -0.24 0.31 -0.55 0.02 0.00 0.00 177.10 176.65 2jn3 s SER 61 N -1.91 -0.35 0.24 -1.22 0.15 -1.26 -1.71 113.70 107.63 2jn3 s SER 61 Ca -0.04 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.23 2jn3 s SER 61 Cb -0.07 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 2jn3 s SER 61 CO -0.00 -0.17 0.26 0.72 1.20 0.00 0.00 173.24 175.25 2jn3 s PHE 62 N 1.18 1.02 -0.01 3.44 -0.71 -0.71 -4.72 117.98 117.47 2jn3 s PHE 62 Ca -0.08 -1.24 0.08 0.00 -1.04 0.00 0.00 56.93 54.65 2jn3 s PHE 62 Cb -0.09 -0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 2jn3 s PHE 62 CO -0.09 -0.79 -0.26 0.99 -1.34 0.00 0.00 175.22 173.74 2jn3 s THR 63 N -3.97 2.10 0.01 -4.49 2.01 -1.26 -1.36 115.64 108.68 2jn3 s THR 63 Ca 0.34 -1.15 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 2jn3 s THR 63 Cb 0.04 -1.74 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 2jn3 s THR 63 CO 0.13 0.54 1.22 -0.76 -0.69 0.00 0.00 174.62 175.06 2jn3 s LEU 64 N -0.74 4.33 0.00 4.42 1.43 0.88 -2.82 118.68 126.18 2jn3 s LEU 64 Ca 0.10 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2jn3 s LEU 64 Cb -0.10 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2jn3 s LEU 64 CO -0.00 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.65 2jn3 n GLY 65 N 3.31 0.72 3.09 -3.19 0.00 -1.15 -4.88 105.19 103.09 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 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 66 N -0.97 0.36 0.00 1.61 1.02 -1.13 -5.10 119.74 115.54 2jn3 s LYS 66 Ca 0.00 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 2jn3 s LYS 66 Cb 0.00 0.16 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 2jn3 s LYS 66 CO 0.00 -0.07 1.52 -2.00 -0.92 0.00 0.00 175.35 173.87 2jn3 s GLU 67 N -0.66 4.24 0.12 1.68 2.12 -1.26 -4.53 118.70 120.40 2jn3 s GLU 67 Ca -0.07 2.10 0.09 0.00 0.36 0.00 0.00 54.97 57.45 2jn3 s GLU 67 Cb -0.04 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2jn3 s GLU 67 CO 0.01 -0.68 -0.22 0.00 -0.54 0.00 0.00 175.26 173.83 2jn3 s ALA 68 N 2.82 1.97 0.14 6.30 0.00 -1.20 -4.94 121.76 126.84 2jn3 s ALA 68 Ca 0.68 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.09 2jn3 s ALA 68 Cb -0.34 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.44 2jn3 s ALA 68 CO 0.28 0.39 0.69 0.16 0.00 0.00 0.00 175.76 177.27 2jn3 s ASP 69 N -2.05 7.22 0.03 0.00 -4.77 -1.26 -2.52 116.67 113.31 2jn3 s ASP 69 Ca 0.09 1.46 0.05 0.00 -3.30 0.00 0.00 52.55 50.85 2jn3 s ASP 69 Cb -0.09 -2.43 -0.02 0.00 -1.09 0.00 0.00 42.92 39.28 2jn3 s ASP 69 CO 0.05 0.21 -0.14 -0.63 0.70 0.00 0.00 175.17 175.37 2jn3 s ILE 70 N -1.19 1.08 -0.10 2.11 -1.09 -0.19 -4.66 121.20 117.16 2jn3 s ILE 70 Ca 0.34 -0.89 0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2jn3 s ILE 70 Cb -0.21 -0.96 -0.01 0.00 -1.58 0.00 0.00 42.46 39.70 2jn3 s ILE 70 CO 0.23 0.07 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.93 2jn3 s THR 71 N -0.73 2.64 0.47 2.92 2.01 -1.26 -2.47 115.64 119.22 2jn3 s THR 71 Ca 0.02 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 2jn3 s THR 71 Cb -0.07 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 2jn3 s THR 71 CO 0.01 0.55 0.81 0.42 -0.69 0.00 0.00 174.62 175.71 2jn3 s THR 72 N 0.16 4.84 -0.58 -0.82 -4.23 -0.22 -4.94 115.64 109.85 2jn3 s THR 72 Ca -0.10 0.43 0.22 0.00 -1.18 0.00 0.00 61.69 61.06 2jn3 s THR 72 Cb -0.16 -3.82 0.22 0.00 1.34 0.00 0.00 72.50 70.09 2jn3 s THR 72 CO 0.06 -0.77 1.66 0.23 -0.54 0.00 0.00 174.62 175.26 2jn3 n MET 73 N -1.98 0.16 0.10 3.99 2.81 -1.26 -2.12 117.12 118.82 2jn3 n MET 73 Ca 0.02 0.39 0.12 0.00 -1.81 0.00 0.00 57.70 56.42 2jn3 n MET 73 Cb 0.55 -1.80 0.16 0.00 -0.71 0.00 0.00 33.22 31.42 2jn3 n MET 73 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2jn3 h ASP 74 N 0.00 0.00 0.00 7.83 3.04 -2.05 -3.47 116.42 121.77 2jn3 h ASP 74 Ca 0.00 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.69 2jn3 h ASP 74 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 2jn3 h ASP 74 CO 0.00 0.05 0.00 0.61 -2.04 0.00 0.00 179.24 177.86 2jn3 n GLY 75 N 1.26 1.87 3.62 7.15 0.00 -0.90 -5.11 105.19 113.08 2jn3 n GLY 75 Ca 0.03 0.00 -0.34 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 -0.44 3.79 -0.11 1.61 1.02 -1.26 -4.92 119.74 119.44 2jn3 s LYS 76 Ca 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 2jn3 s LYS 76 Cb 0.00 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 2jn3 s LYS 76 CO 0.00 0.33 -0.02 -1.59 -0.92 0.00 0.00 175.35 173.16 2jn3 s LYS 77 N 0.18 3.26 0.05 1.68 -2.85 -1.26 -1.06 119.74 119.74 2jn3 s LYS 77 Ca 0.03 -0.46 -0.27 0.00 -1.00 0.00 0.00 55.97 54.27 2jn3 s LYS 77 Cb -0.13 -2.84 0.09 0.00 -2.06 0.00 0.00 37.83 32.89 2jn3 s LYS 77 CO 0.01 0.51 0.77 -0.48 0.10 0.00 0.00 175.35 176.26 2jn3 s LEU 78 N -0.36 -0.45 0.43 2.77 2.34 -1.03 -5.03 118.68 117.35 2jn3 s LEU 78 Ca 0.07 0.03 0.08 0.00 0.06 0.00 0.00 54.13 54.37 2jn3 s LEU 78 Cb -0.12 2.26 -0.01 0.00 -0.56 0.00 0.00 46.19 47.76 2jn3 s LEU 78 CO 0.02 -0.75 0.42 -0.54 -1.06 0.00 0.00 176.35 174.45 2jn3 s LYS 79 N -3.24 2.54 -0.30 1.48 1.02 -1.26 -1.02 119.74 118.95 2jn3 s LYS 79 Ca 0.03 -1.54 -0.22 0.00 0.02 0.00 0.00 55.97 54.26 2jn3 s LYS 79 Cb -0.01 -2.41 0.21 0.00 -0.52 0.00 0.00 37.83 35.09 2jn3 s LYS 79 CO -0.10 -0.26 1.43 0.00 -0.92 0.00 0.00 175.35 175.50 2jn3 s THR 81 N 0.33 4.91 0.27 0.00 2.01 -1.26 -3.27 115.64 118.64 2jn3 s THR 81 Ca 0.03 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 2jn3 s THR 81 Cb -0.04 -4.34 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 2jn3 s THR 81 CO -0.14 -0.89 1.03 -0.69 -0.69 0.00 0.00 174.62 173.24 2jn3 s VAL 82 N 2.48 3.75 0.05 3.82 1.01 -1.26 -4.68 120.40 125.57 2jn3 s VAL 82 Ca 0.12 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 63.82 2jn3 s VAL 82 Cb -0.22 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2jn3 s VAL 82 CO 0.09 0.38 -0.04 -1.38 0.00 0.00 0.00 175.10 174.16 2jn3 s HIS 83 N -1.22 0.48 -0.18 5.22 -3.43 -1.21 -2.94 115.29 112.03 2jn3 s HIS 83 Ca 0.44 -0.87 -0.08 0.00 -0.80 0.00 0.00 55.06 53.75 2jn3 s HIS 83 Cb -0.29 -0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.48 2jn3 s HIS 83 CO 0.36 -0.29 0.11 -0.51 -2.00 0.00 0.00 174.74 172.41 2jn3 s LEU 84 N -2.44 4.10 -0.09 5.38 1.43 -1.26 -2.18 118.68 123.61 2jn3 s LEU 84 Ca -0.00 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2jn3 s LEU 84 Cb 0.02 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.23 2jn3 s LEU 84 CO -0.06 0.23 0.01 0.00 0.23 0.00 0.00 176.35 176.76 2jn3 s ALA 85 N 0.07 0.71 -1.58 4.21 0.00 -0.91 -4.80 121.76 119.46 2jn3 s ALA 85 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2jn3 s ALA 85 Cb -0.12 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.19 2jn3 s ALA 85 CO -0.00 -0.61 0.16 -1.71 0.00 0.00 0.00 175.76 173.60 2jn3 n ASN 86 N 5.14 -5.49 -1.94 0.00 2.85 -1.26 -2.13 115.26 112.43 2jn3 n ASN 86 Ca -0.07 -0.05 -0.07 0.00 -0.11 0.00 0.00 54.58 54.28 2jn3 n ASN 86 Cb 0.49 -4.55 0.03 0.00 1.24 0.00 0.00 39.78 37.00 2jn3 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jn3 n GLY 87 N -1.10 0.13 3.45 8.20 0.00 -1.26 -5.05 105.19 109.57 2jn3 n GLY 87 Ca -0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.55 0.53 0.35 1.61 1.02 -0.91 -4.83 119.74 112.96 2jn3 s LYS 88 Ca 0.01 1.26 -0.28 0.00 0.02 0.00 0.00 55.97 56.97 2jn3 s LYS 88 Cb -0.00 0.67 -0.10 0.00 -0.52 0.00 0.00 37.83 37.88 2jn3 s LYS 88 CO 0.28 -0.32 1.33 -1.17 -0.92 0.00 0.00 175.35 174.55 2jn3 s LEU 89 N 2.84 4.39 -0.15 3.17 0.20 -1.21 -2.14 118.68 125.77 2jn3 s LEU 89 Ca 0.02 2.74 -0.04 0.00 0.69 0.00 0.00 54.13 57.54 2jn3 s LEU 89 Cb -0.13 -3.68 0.08 0.00 -0.43 0.00 0.00 46.19 42.03 2jn3 s LEU 89 CO -0.18 -0.62 0.26 -0.69 -0.29 0.00 0.00 176.35 174.82 2jn3 s VAL 90 N -1.15 -0.40 -0.55 1.68 1.01 -0.93 -2.48 120.40 117.58 2jn3 s VAL 90 Ca 0.50 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 2jn3 s VAL 90 Cb -0.41 -0.52 0.14 0.00 0.00 0.00 0.00 36.38 35.60 2jn3 s VAL 90 CO 0.54 0.03 0.38 -0.89 0.00 0.00 0.00 175.10 175.16 2jn3 s THR 91 N 2.40 3.79 0.49 3.92 2.01 0.20 -3.30 115.64 125.15 2jn3 s THR 91 Ca 0.03 -2.48 -0.04 0.00 0.31 0.00 0.00 61.69 59.52 2jn3 s THR 91 Cb -0.13 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2jn3 s THR 91 CO -0.10 -0.82 0.78 -1.59 -0.69 0.00 0.00 174.62 172.20 2jn3 s LYS 92 N 0.53 3.33 0.28 4.92 -2.85 -1.26 -0.61 119.74 124.08 2jn3 s LYS 92 Ca 0.13 0.01 -0.09 0.00 -1.00 0.00 0.00 55.97 55.02 2jn3 s LYS 92 Cb -0.21 -2.40 0.03 0.00 -2.06 0.00 0.00 37.83 33.19 2jn3 s LYS 92 CO -0.04 -0.30 0.52 0.45 0.10 0.00 0.00 175.35 176.09 2jn3 n SER 93 N -2.27 -1.52 -2.01 0.03 2.88 -0.75 -4.71 113.62 105.27 2jn3 n SER 93 Ca 0.01 -2.21 -0.21 0.00 -1.33 0.00 0.00 58.87 55.13 2jn3 n SER 93 Cb 0.56 2.57 0.11 0.00 -0.75 0.00 0.00 64.21 66.71 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 -0.40 2.07 0.00 -1.46 2.13 -1.26 -4.12 120.64 117.61 2jn3 n GLU 94 Ca -0.05 -2.37 0.00 0.00 0.66 0.00 0.00 57.16 55.40 2jn3 n GLU 94 Cb 0.43 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 -0.62 0.00 -3.64 5.31 2.85 -1.26 -5.14 118.16 115.66 2jn3 n LYS 95 Ca 0.47 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.69 2jn3 n LYS 95 Cb 1.13 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.46 2jn3 n LYS 95 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 2jn3 s PHE 96 N 0.00 -0.11 0.20 5.58 -0.12 -1.26 -4.62 117.98 117.66 2jn3 s PHE 96 Ca 0.00 0.21 0.10 0.00 -0.05 0.00 0.00 56.93 57.19 2jn3 s PHE 96 Cb 0.00 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 2jn3 s PHE 96 CO 0.00 -0.08 -0.19 -1.12 -0.05 0.00 0.00 175.22 173.78 2jn3 s SER 97 N -0.66 3.02 -0.01 1.98 0.01 -0.92 -1.81 113.70 115.30 2jn3 s SER 97 Ca 0.07 -0.93 -0.00 0.00 1.31 0.00 0.00 55.95 56.40 2jn3 s SER 97 Cb -0.02 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.02 2jn3 s SER 97 CO -0.09 -0.01 0.02 -2.28 0.41 0.00 0.00 173.24 171.30 2jn3 s HIS 98 N -2.23 0.01 -0.15 2.43 5.04 0.22 -2.52 115.29 118.09 2jn3 s HIS 98 Ca 0.21 0.09 -0.06 0.00 -1.54 0.00 0.00 55.06 53.76 2jn3 s HIS 98 Cb -0.05 -0.12 0.06 0.00 0.04 0.00 0.00 32.58 32.51 2jn3 s HIS 98 CO 0.09 -0.05 0.33 -1.21 -2.34 0.00 0.00 174.74 171.56 2jn3 s GLU 99 N 0.59 0.26 0.12 2.88 2.02 0.27 0.61 118.70 125.45 2jn3 s GLU 99 Ca -0.05 0.76 0.04 0.00 0.02 0.00 0.00 54.97 55.75 2jn3 s GLU 99 Cb -0.07 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 2jn3 s GLU 99 CO -0.02 -0.21 -0.11 -1.14 0.02 0.00 0.00 175.26 173.80 2jn3 s GLN 100 N 1.90 0.94 0.11 1.61 0.74 -1.04 0.15 119.66 124.07 2jn3 s GLN 100 Ca -0.05 -1.25 -0.14 0.00 0.05 0.00 0.00 55.36 53.97 2jn3 s GLN 100 Cb -0.11 -0.63 0.02 0.00 1.10 0.00 0.00 33.01 33.40 2jn3 s GLN 100 CO -0.10 0.10 0.34 -2.00 -0.55 0.00 0.00 175.29 173.07 2jn3 s GLU 101 N -3.03 0.99 -0.04 1.67 2.12 -0.02 -3.30 118.70 117.09 2jn3 s GLU 101 Ca 0.09 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.73 2jn3 s GLU 101 Cb -0.02 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.79 2jn3 s GLU 101 CO 0.01 -0.37 -0.22 0.54 -0.54 0.00 0.00 175.26 174.68 2jn3 s VAL 102 N -3.71 1.78 -0.38 3.70 0.11 -1.26 -0.86 120.40 119.78 2jn3 s VAL 102 Ca 0.03 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.15 2jn3 s VAL 102 Cb 0.02 -1.50 0.12 0.00 -1.53 0.00 0.00 36.38 33.50 2jn3 s VAL 102 CO -0.11 0.50 0.19 -0.54 -3.33 0.00 0.00 175.10 171.81 2jn3 s LYS 103 N -0.26 0.97 4.68 1.54 1.02 -0.44 -4.97 119.74 122.27 2jn3 s LYS 103 Ca 0.01 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.43 2jn3 s LYS 103 Cb -0.11 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2jn3 s LYS 103 CO 0.01 -1.11 0.00 0.41 -0.92 0.00 0.00 175.35 173.74 2jn3 n GLY 104 N 4.07 1.70 0.17 -3.33 0.00 -1.26 -3.19 105.19 103.35 2jn3 n GLY 104 Ca 0.06 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 7.89 2.27 -4.52 1.61 6.94 -1.26 -4.83 115.26 123.36 2jn3 n ASN 105 Ca 0.00 -2.08 -0.24 0.00 -0.02 0.00 0.00 54.58 52.23 2jn3 n ASN 105 Cb 0.00 -0.09 -0.09 0.00 -2.36 0.00 0.00 39.78 37.24 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2jn3 s GLU 106 N -1.15 1.83 0.01 -3.83 2.02 -1.19 -2.20 118.70 114.19 2jn3 s GLU 106 Ca 0.08 -1.72 0.02 0.00 0.02 0.00 0.00 54.97 53.38 2jn3 s GLU 106 Cb 0.05 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 2jn3 s GLU 106 CO 0.04 0.31 -0.08 1.41 0.02 0.00 0.00 175.26 176.96 2jn3 s MET 107 N -3.56 0.58 -0.09 1.61 -2.45 0.18 -1.33 119.30 114.24 2jn3 s MET 107 Ca 0.31 -0.37 0.03 0.00 -1.25 0.00 0.00 55.69 54.40 2jn3 s MET 107 Cb -0.04 -0.53 0.01 0.00 1.25 0.00 0.00 34.83 35.52 2jn3 s MET 107 CO 0.16 0.14 -0.16 0.08 1.05 0.00 0.00 175.02 176.29 2jn3 s VAL 108 N -0.41 1.46 -0.07 10.11 1.01 -0.04 -0.17 120.40 132.29 2jn3 s VAL 108 Ca 0.01 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2jn3 s VAL 108 Cb -0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 2jn3 s VAL 108 CO -0.00 0.43 -0.17 -1.61 0.00 0.00 0.00 175.10 173.75 2jn3 s GLU 109 N 0.68 2.73 -0.12 2.72 2.02 0.12 -0.84 118.70 126.01 2jn3 s GLU 109 Ca -0.13 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.11 2jn3 s GLU 109 Cb -0.16 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.71 2jn3 s GLU 109 CO 0.03 0.45 -0.13 -0.08 0.02 0.00 0.00 175.26 175.56 2jn3 s THR 110 N -0.30 1.38 -0.05 3.63 -1.32 0.39 -0.29 115.64 119.09 2jn3 s THR 110 Ca 0.02 -0.54 0.03 0.00 -1.21 0.00 0.00 61.69 59.99 2jn3 s THR 110 Cb -0.13 -1.30 0.01 0.00 -1.51 0.00 0.00 72.50 69.56 2jn3 s THR 110 CO 0.03 0.42 -0.14 -0.63 -2.21 0.00 0.00 174.62 172.09 2jn3 s ILE 111 N 1.31 1.19 -0.10 5.08 1.01 -0.47 -0.57 121.20 128.65 2jn3 s ILE 111 Ca -0.00 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2jn3 s ILE 111 Cb -0.14 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2jn3 s ILE 111 CO -0.06 0.36 -0.12 -0.89 0.00 0.00 0.00 174.94 174.23 2jn3 s THR 112 N 0.34 3.20 -0.23 2.92 2.01 -1.05 0.51 115.64 123.35 2jn3 s THR 112 Ca -0.09 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.19 2jn3 s THR 112 Cb -0.13 -2.32 0.09 0.00 0.01 0.00 0.00 72.50 70.16 2jn3 s THR 112 CO 0.03 0.55 0.50 0.12 -0.69 0.00 0.00 174.62 175.13 2jn3 s PHE 113 N -0.08 -0.93 -0.71 4.92 2.19 0.22 -2.17 117.98 121.42 2jn3 s PHE 113 Ca -0.02 1.75 -0.02 0.00 0.33 0.00 0.00 56.93 58.98 2jn3 s PHE 113 Cb -0.14 0.46 0.00 0.00 -1.31 0.00 0.00 43.02 42.03 2jn3 s PHE 113 CO 0.04 -0.51 0.30 0.41 1.83 0.00 0.00 175.22 177.28 2jn3 n GLY 114 N 5.12 0.14 2.84 13.12 0.00 -1.26 -2.16 105.19 123.00 2jn3 n GLY 114 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.11 0.45 3.52 -0.02 0.00 -1.26 -4.98 105.19 101.79 2jn3 n GLY 115 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.19 3.58 -0.09 1.61 1.01 -0.92 -5.11 120.40 118.30 2jn3 s VAL 116 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2jn3 s VAL 116 Cb 0.00 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2jn3 s VAL 116 CO 0.00 0.56 -0.11 -0.89 0.00 0.00 0.00 175.10 174.65 2jn3 s THR 117 N -0.31 3.26 -0.04 3.92 2.01 -1.26 0.70 115.64 123.92 2jn3 s THR 117 Ca 0.04 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.47 2jn3 s THR 117 Cb -0.13 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 2jn3 s THR 117 CO 0.02 0.56 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.12 2jn3 s LEU 118 N -0.25 2.55 -0.20 4.42 2.96 0.18 -4.94 118.68 123.40 2jn3 s LEU 118 Ca 0.02 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2jn3 s LEU 118 Cb -0.13 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2jn3 s LEU 118 CO 0.03 0.33 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.65 2jn3 s ILE 119 N -0.65 2.87 -0.21 6.68 1.01 -1.26 -1.37 121.20 128.27 2jn3 s ILE 119 Ca 0.10 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 2jn3 s ILE 119 Cb -0.11 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.10 2jn3 s ILE 119 CO 0.00 0.47 -0.10 -0.60 0.00 0.00 0.00 174.94 174.71 2jn3 s ARG 120 N 1.39 3.15 -0.24 2.79 3.52 0.61 -3.18 118.95 126.98 2jn3 s ARG 120 Ca 0.05 -0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 54.79 2jn3 s ARG 120 Cb -0.14 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.35 2jn3 s ARG 120 CO -0.07 -0.24 0.16 1.03 -0.81 0.00 0.00 175.30 175.38 2jn3 s ARG 121 N 1.38 4.07 0.16 5.12 0.52 0.51 0.15 118.95 130.87 2jn3 s ARG 121 Ca 0.05 -0.26 0.11 0.00 -0.52 0.00 0.00 55.73 55.10 2jn3 s ARG 121 Cb -0.14 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 2jn3 s ARG 121 CO -0.07 0.07 -0.25 -1.12 0.02 0.00 0.00 175.30 173.95 2jn3 s SER 122 N 1.04 3.29 0.15 0.23 0.01 0.76 -1.57 113.70 117.60 2jn3 s SER 122 Ca 0.08 -0.80 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2jn3 s SER 122 Cb -0.13 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 2jn3 s SER 122 CO 0.04 0.14 -0.09 -0.75 0.41 0.00 0.00 173.24 172.99 2jn3 s LYS 123 N -2.34 2.10 0.17 12.44 2.20 -0.76 0.48 119.74 134.04 2jn3 s LYS 123 Ca 0.16 -1.16 -0.30 0.00 -0.36 0.00 0.00 55.97 54.32 2jn3 s LYS 123 Cb -0.09 -2.23 -0.07 0.00 -1.51 0.00 0.00 37.83 33.93 2jn3 s LYS 123 CO 0.08 0.47 0.98 0.50 -0.36 0.00 0.00 175.35 177.02 2jn3 s ARG 124 N -2.57 4.73 0.00 4.03 3.52 -0.94 -1.54 118.95 126.19 2jn3 s ARG 124 Ca 0.23 1.53 0.00 0.00 -0.13 0.00 0.00 55.73 57.36 2jn3 s ARG 124 Cb -0.10 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2jn3 s ARG 124 CO 0.15 0.29 0.34 0.28 -0.81 0.00 0.00 175.30 175.55