#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 0.68 -3.88 0.00 0.04 -1.98 -3.45 116.94 108.35 2jn3 h PHE 2 Ca 0.00 -0.49 -0.56 0.00 2.80 0.00 0.00 57.97 59.72 2jn3 h PHE 2 Cb 0.00 -0.03 0.14 0.00 2.20 0.00 0.00 35.95 38.26 2jn3 h PHE 2 CO 0.00 1.56 0.56 -1.13 -0.60 0.00 0.00 178.31 178.69 2jn3 n SER 3 N -3.57 2.60 0.00 2.17 3.41 -1.26 -4.64 113.62 112.34 2jn3 n SER 3 Ca -0.20 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 2jn3 n SER 3 Cb 1.07 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 0.78 0.90 3.65 5.00 0.00 -0.33 -4.93 105.19 110.27 2jn3 n GLY 4 Ca 0.09 -2.17 -0.35 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 -0.98 4.75 0.02 2.61 2.01 -1.26 -1.07 115.64 121.71 2jn3 s THR 5 Ca 0.00 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.03 2jn3 s THR 5 Cb 0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 2jn3 s THR 5 CO 0.00 0.49 -0.24 0.26 -0.69 0.00 0.00 174.62 174.44 2jn3 s TRP 6 N 0.09 2.13 -0.14 4.92 0.52 -0.67 -2.68 118.94 123.11 2jn3 s TRP 6 Ca 0.05 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.78 2jn3 s TRP 6 Cb -0.12 -1.31 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 2jn3 s TRP 6 CO 0.01 0.05 -0.17 -1.14 0.02 0.00 0.00 176.95 175.72 2jn3 s GLN 7 N -0.95 2.54 0.03 4.98 0.74 -0.08 -1.51 119.66 125.41 2jn3 s GLN 7 Ca 0.10 -0.66 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 2jn3 s GLN 7 Cb -0.09 -2.20 -0.07 0.00 1.10 0.00 0.00 33.01 31.75 2jn3 s GLN 7 CO 0.01 -0.15 1.59 0.08 -0.55 0.00 0.00 175.29 176.28 2jn3 s VAL 8 N 1.20 3.30 0.00 1.34 1.01 -1.25 -1.60 120.40 124.39 2jn3 s VAL 8 Ca -0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2jn3 s VAL 8 Cb -0.14 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2jn3 s VAL 8 CO -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.02 2jn3 n TYR 9 N 5.83 0.00 -4.38 5.22 4.11 -0.92 -4.78 117.16 122.23 2jn3 n TYR 9 Ca 0.15 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.80 2jn3 n TYR 9 Cb 0.42 0.00 -0.17 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 -1.75 1.27 -0.09 -3.48 0.00 -1.19 -5.05 121.76 111.48 2jn3 s ALA 10 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 2jn3 s ALA 10 Cb 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 23.12 22.50 2jn3 s ALA 10 CO 0.00 -0.04 0.11 1.14 0.00 0.00 0.00 175.76 176.97 2jn3 s GLN 11 N 0.96 -0.00 0.03 0.00 -2.07 -1.26 -0.94 119.66 116.37 2jn3 s GLN 11 Ca -0.09 0.36 -0.08 0.00 -1.82 0.00 0.00 55.36 53.72 2jn3 s GLN 11 Cb -0.15 -0.69 -0.05 0.00 -1.09 0.00 0.00 33.01 31.03 2jn3 s GLN 11 CO 0.00 -0.40 0.32 -2.00 -1.32 0.00 0.00 175.29 171.89 2jn3 s GLU 12 N 2.22 3.66 -0.99 9.60 2.12 -1.24 -4.07 118.70 129.99 2jn3 s GLU 12 Ca 0.04 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2jn3 s GLU 12 Cb -0.13 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2jn3 s GLU 12 CO -0.05 0.63 0.00 -1.71 -0.54 0.00 0.00 175.26 173.58 2jn3 n ASN 13 N 1.13 -5.67 -0.05 -1.70 2.85 -1.26 -3.98 115.26 106.59 2jn3 n ASN 13 Ca -0.11 0.23 -0.09 0.00 -0.11 0.00 0.00 54.58 54.51 2jn3 n ASN 13 Cb 0.53 -4.00 -0.02 0.00 1.24 0.00 0.00 39.78 37.53 2jn3 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 2jn3 h TYR 14 N 0.00 -0.73 -0.07 1.20 3.20 -1.96 0.30 116.97 118.91 2jn3 h TYR 14 Ca -0.19 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 2jn3 h TYR 14 Cb 1.13 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 2jn3 h TYR 14 CO 0.59 -0.35 0.03 0.93 -1.64 0.00 0.00 178.16 177.72 2jn3 h GLU 15 N -0.28 0.11 0.44 1.82 5.08 -1.91 -1.64 114.58 118.19 2jn3 h GLU 15 Ca 0.13 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2jn3 h GLU 15 Cb 0.49 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2jn3 h GLU 15 CO -0.40 0.21 -0.47 0.93 -1.00 0.00 0.00 179.01 178.28 2jn3 h GLU 16 N -0.02 -0.89 -0.22 2.33 5.08 -1.80 0.59 114.58 119.65 2jn3 h GLU 16 Ca 0.03 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2jn3 h GLU 16 Cb 0.14 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 2jn3 h GLU 16 CO -0.00 -0.59 -0.32 0.35 -1.00 0.00 0.00 179.01 177.45 2jn3 h PHE 17 N -0.93 -0.87 -0.90 4.33 3.57 -0.42 -0.98 116.94 120.74 2jn3 h PHE 17 Ca -0.05 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2jn3 h PHE 17 Cb 0.82 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 2jn3 h PHE 17 CO -0.25 -0.39 0.59 -0.07 -2.23 0.00 0.00 178.31 175.95 2jn3 h LEU 18 N -0.34 0.99 -1.05 0.59 3.38 -1.05 -1.96 115.31 115.87 2jn3 h LEU 18 Ca 0.12 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.29 2jn3 h LEU 18 Cb 0.54 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.94 2jn3 h LEU 18 CO -0.41 0.69 0.61 0.50 0.09 0.00 0.00 178.44 179.92 2jn3 h LYS 19 N 1.16 0.64 0.00 1.13 3.11 0.16 0.48 116.57 123.25 2jn3 h LYS 19 Ca 0.35 -0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 58.07 2jn3 h LYS 19 Cb -0.05 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.02 2jn3 h LYS 19 CO -0.10 0.42 -0.36 0.00 -2.81 0.00 0.00 179.45 176.61 2jn3 h ALA 20 N 1.67 1.16 0.00 5.00 0.00 -0.91 -2.63 119.26 123.56 2jn3 h ALA 20 Ca 0.60 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jn3 h ALA 20 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jn3 h ALA 20 CO -0.40 0.45 0.01 1.25 0.00 0.00 0.00 179.25 180.56 2jn3 h LEU 21 N 0.00 0.00 0.00 0.00 5.85 0.07 -3.46 115.31 117.78 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 0.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 2jn3 h LEU 21 CO 0.05 0.00 -0.00 0.00 -0.34 0.00 0.00 178.44 178.15 2jn3 n ALA 22 N -2.05 -0.00 -1.51 1.25 0.00 -0.99 -5.03 120.51 112.17 2jn3 n ALA 22 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2jn3 n ALA 22 Cb 0.08 -0.50 0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 2.63 0.31 0.00 1.43 -1.26 -5.00 118.68 116.78 2jn3 s LEU 23 Ca 0.00 1.37 -0.29 0.00 -1.03 0.00 0.00 54.13 54.18 2jn3 s LEU 23 Cb 0.00 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 42.13 2jn3 s LEU 23 CO 0.00 -1.99 1.13 -2.16 0.23 0.00 0.00 176.35 173.56 2jn3 s PRO 24 N -5.12 4.52 0.23 1.29 0.04 -1.26 -4.94 135.00 129.77 2jn3 s PRO 24 Ca 0.61 1.84 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 2jn3 s PRO 24 Cb -0.15 -3.08 0.22 0.00 0.04 0.00 0.00 34.50 31.53 2jn3 s PRO 24 CO 0.55 0.09 1.91 0.93 0.04 0.00 0.00 177.00 180.51 2jn3 h GLU 25 N 3.56 1.18 -0.33 4.56 5.08 -1.99 -1.03 114.58 125.61 2jn3 h GLU 25 Ca -0.47 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 57.91 2jn3 h GLU 25 Cb 1.22 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2jn3 h GLU 25 CO 0.66 0.78 0.29 -0.44 -1.00 0.00 0.00 179.01 179.30 2jn3 h ASP 26 N 1.21 0.00 0.78 1.42 3.32 -2.00 0.16 116.42 121.32 2jn3 h ASP 26 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2jn3 h ASP 26 Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2jn3 h ASP 26 CO -0.08 0.00 -1.11 -0.11 -1.72 0.00 0.00 179.24 176.23 2jn3 n LEU 27 N -4.03 0.69 0.06 1.55 7.94 -0.46 -3.32 117.00 119.44 2jn3 n LEU 27 Ca 0.05 0.23 -0.23 0.00 -1.11 0.00 0.00 56.01 54.96 2jn3 n LEU 27 Cb 0.46 -0.07 -0.15 0.00 0.53 0.00 0.00 43.42 44.19 2jn3 n LEU 27 CO 0.31 -0.12 -0.48 0.40 -1.11 0.00 0.00 177.39 176.39 2jn3 h ILE 28 N 0.00 1.00 -0.01 1.96 2.04 -0.01 -2.48 117.51 120.00 2jn3 h ILE 28 Ca 0.00 -2.50 -0.15 0.00 1.00 0.00 0.00 64.86 63.21 2jn3 h ILE 28 Cb 0.95 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.80 2jn3 h ILE 28 CO 0.00 0.82 -0.70 0.11 0.00 0.00 0.00 178.15 178.38 2jn3 h LYS 29 N 0.01 0.07 0.02 2.37 1.57 -1.19 0.88 116.57 120.29 2jn3 h LYS 29 Ca -0.33 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.16 2jn3 h LYS 29 Cb 2.02 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.31 2jn3 h LYS 29 CO 0.16 0.74 -1.22 1.98 -0.57 0.00 0.00 179.45 180.55 2jn3 h MET 30 N 0.05 0.04 -0.30 3.15 4.05 -1.68 -3.28 114.93 116.95 2jn3 h MET 30 Ca -0.01 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2jn3 h MET 30 Cb 1.24 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2jn3 h MET 30 CO 0.10 0.91 0.00 0.00 0.23 0.00 0.00 176.91 178.15 2jn3 n ALA 31 N -2.43 2.44 0.23 0.39 0.00 -0.93 -4.27 120.51 115.93 2jn3 n ALA 31 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 53.44 52.52 2jn3 n ALA 31 Cb 0.98 -0.88 0.16 0.00 0.00 0.00 0.00 19.45 19.70 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 1.39 0.01 -2.93 0.00 -4.01 0.30 -3.15 116.66 108.28 2jn3 n ARG 32 Ca 0.18 0.39 -0.13 0.00 -1.04 0.00 0.00 57.85 57.25 2jn3 n ARG 32 Cb 0.59 -1.52 0.02 0.00 -3.04 0.00 0.00 32.46 28.51 2jn3 n ARG 32 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2jn3 n ASP 33 N -1.53 0.44 -3.95 2.89 8.00 -1.26 -5.07 116.55 116.07 2jn3 n ASP 33 Ca 0.02 -2.95 -0.30 0.00 0.71 0.00 0.00 54.79 52.27 2jn3 n ASP 33 Cb 0.08 -0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 40.86 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 -2.13 1.42 -1.16 0.53 1.01 -1.19 -5.05 121.20 114.63 2jn3 s ILE 34 Ca 0.32 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 2jn3 s ILE 34 Cb 0.38 -1.55 0.13 0.00 0.01 0.00 0.00 42.46 41.43 2jn3 s ILE 34 CO -0.04 0.13 1.45 -0.54 0.00 0.00 0.00 174.94 175.94 2jn3 s LYS 35 N 1.49 3.92 0.11 2.79 3.01 -1.26 -4.98 119.74 124.81 2jn3 s LYS 35 Ca -0.01 -2.13 -0.30 0.00 -1.01 0.00 0.00 55.97 52.51 2jn3 s LYS 35 Cb -0.16 -5.18 -0.07 0.00 -1.01 0.00 0.00 37.83 31.41 2jn3 s LYS 35 CO -0.08 -1.93 1.22 -1.25 0.51 0.00 0.00 175.35 173.82 2jn3 s PRO 36 N 2.78 4.44 0.36 -1.68 0.04 -1.26 -4.82 135.00 134.86 2jn3 s PRO 36 Ca 0.44 1.84 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 2jn3 s PRO 36 Cb -0.01 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 2jn3 s PRO 36 CO -0.01 -0.23 0.71 0.42 0.04 0.00 0.00 177.00 177.93 2jn3 s ILE 37 N 0.73 4.82 -0.11 0.56 1.01 -1.00 -3.94 121.20 123.27 2jn3 s ILE 37 Ca 0.58 0.56 -0.01 0.00 0.00 0.00 0.00 60.65 61.78 2jn3 s ILE 37 Cb -0.31 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.48 2jn3 s ILE 37 CO 0.31 -0.40 -0.03 -0.69 0.00 0.00 0.00 174.94 174.14 2jn3 s VAL 38 N -2.22 0.71 -0.15 2.92 1.01 -0.57 -1.53 120.40 120.58 2jn3 s VAL 38 Ca 0.50 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2jn3 s VAL 38 Cb -0.10 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2jn3 s VAL 38 CO 0.28 0.24 0.27 -0.70 0.00 0.00 0.00 175.10 175.18 2jn3 s GLU 39 N 1.83 4.14 -0.07 2.72 2.12 -0.90 -1.66 118.70 126.88 2jn3 s GLU 39 Ca 0.04 0.06 0.04 0.00 0.36 0.00 0.00 54.97 55.47 2jn3 s GLU 39 Cb -0.13 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 2jn3 s GLU 39 CO -0.07 0.34 -0.20 0.42 -0.54 0.00 0.00 175.26 175.21 2jn3 s ILE 40 N 0.18 2.51 -0.41 -3.70 1.01 -0.24 -2.09 121.20 118.45 2jn3 s ILE 40 Ca 0.16 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.99 2jn3 s ILE 40 Cb -0.13 -1.96 0.27 0.00 0.01 0.00 0.00 42.46 40.65 2jn3 s ILE 40 CO 0.04 0.57 0.58 0.00 0.00 0.00 0.00 174.94 176.13 2jn3 n GLN 41 N 2.89 0.95 -1.31 2.79 6.02 -0.99 -1.19 117.38 126.56 2jn3 n GLN 41 Ca -0.17 -3.40 -0.30 0.00 -0.01 0.00 0.00 57.00 53.12 2jn3 n GLN 41 Cb 0.52 -1.40 0.11 0.00 1.02 0.00 0.00 30.24 30.49 2jn3 n GLN 41 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2jn3 s GLN 42 N -1.55 1.79 -0.37 -1.09 -2.07 -1.26 -3.83 119.66 111.28 2jn3 s GLN 42 Ca 0.37 0.89 0.11 0.00 -1.82 0.00 0.00 55.36 54.91 2jn3 s GLN 42 Cb 0.20 -1.86 0.41 0.00 -1.09 0.00 0.00 33.01 30.66 2jn3 s GLN 42 CO -0.10 -1.89 1.40 1.63 -1.32 0.00 0.00 175.29 175.01 2jn3 n LYS 43 N -3.65 1.28 0.00 9.60 5.02 -0.99 -4.98 118.16 124.44 2jn3 n LYS 43 Ca 0.08 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.64 2jn3 n LYS 43 Cb 0.55 0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 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 -0.92 1.68 0.24 0.72 0.00 -1.26 -4.58 105.19 101.05 2jn3 n GLY 44 Ca -0.08 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.17 2jn3 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jn3 n ASP 45 N 0.00 1.27 -4.73 1.61 8.00 -1.26 -4.99 116.55 116.44 2jn3 n ASP 45 Ca 0.00 -1.13 -0.31 0.00 0.71 0.00 0.00 54.79 54.06 2jn3 n ASP 45 Cb 0.00 0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 2jn3 n ASP 45 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2jn3 s ASP 46 N -1.15 5.31 0.06 -2.24 1.01 -1.26 0.55 116.67 118.94 2jn3 s ASP 46 Ca 0.08 -0.06 0.04 0.00 0.71 0.00 0.00 52.55 53.33 2jn3 s ASP 46 Cb 0.07 -1.38 -0.03 0.00 1.01 0.00 0.00 42.92 42.60 2jn3 s ASP 46 CO 0.20 0.19 -0.12 -0.36 0.21 0.00 0.00 175.17 175.29 2jn3 s PHE 47 N -1.31 1.07 -0.33 4.23 0.40 -0.91 -2.34 117.98 118.81 2jn3 s PHE 47 Ca 0.26 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 2jn3 s PHE 47 Cb -0.12 -0.62 0.10 0.00 0.51 0.00 0.00 43.02 42.89 2jn3 s PHE 47 CO 0.19 0.02 0.08 0.08 0.70 0.00 0.00 175.22 176.29 2jn3 s VAL 48 N -1.17 1.43 -0.17 -0.44 1.01 -1.25 -2.90 120.40 116.91 2jn3 s VAL 48 Ca -0.03 -1.80 -0.08 0.00 0.00 0.00 0.00 61.98 60.08 2jn3 s VAL 48 Cb -0.09 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2jn3 s VAL 48 CO 0.02 -0.65 0.09 -0.69 0.00 0.00 0.00 175.10 173.87 2jn3 s VAL 49 N 1.31 5.08 -0.21 2.92 1.01 -0.62 -2.35 120.40 127.54 2jn3 s VAL 49 Ca 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2jn3 s VAL 49 Cb -0.18 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 32.99 2jn3 s VAL 49 CO -0.18 0.50 0.04 -0.89 0.00 0.00 0.00 175.10 174.56 2jn3 s THR 50 N 0.00 0.59 -0.08 3.92 2.01 -0.89 -0.12 115.64 121.08 2jn3 s THR 50 Ca 0.08 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 2jn3 s THR 50 Cb -0.12 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 2jn3 s THR 50 CO 0.00 -0.26 0.40 -0.44 -0.69 0.00 0.00 174.62 173.63 2jn3 s SER 51 N 1.82 6.67 -0.09 3.53 0.01 0.03 -2.11 113.70 123.56 2jn3 s SER 51 Ca 0.00 0.79 0.02 0.00 1.31 0.00 0.00 55.95 58.07 2jn3 s SER 51 Cb -0.17 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.83 2jn3 s SER 51 CO -0.10 0.17 -0.13 -0.54 0.41 0.00 0.00 173.24 173.04 2jn3 s LYS 52 N -0.14 1.95 0.42 12.44 1.02 -0.58 -0.29 119.74 134.55 2jn3 s LYS 52 Ca 0.23 -0.47 0.08 0.00 0.02 0.00 0.00 55.97 55.82 2jn3 s LYS 52 Cb -0.15 -1.66 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 2jn3 s LYS 52 CO 0.10 -0.03 0.31 0.95 -0.92 0.00 0.00 175.35 175.76 2jn3 s THR 53 N 0.89 2.53 -1.44 2.17 -4.23 0.32 -2.37 115.64 113.52 2jn3 s THR 53 Ca -0.10 -1.46 0.20 0.00 -1.18 0.00 0.00 61.69 59.15 2jn3 s THR 53 Cb -0.15 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.04 2jn3 s THR 53 CO 0.01 0.00 1.62 -0.81 -0.54 0.00 0.00 174.62 174.89 2jn3 n PRO 54 N -1.44 0.29 0.00 3.99 -0.04 -1.26 -3.19 135.00 133.34 2jn3 n PRO 54 Ca 0.02 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2jn3 n PRO 54 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.28 1.61 -3.67 0.54 0.63 -1.26 -5.09 116.66 108.14 2jn3 n ARG 55 Ca 0.09 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.94 2jn3 n ARG 55 Cb 0.16 -0.98 -0.02 0.00 0.45 0.00 0.00 32.46 32.06 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 -1.94 1.47 -0.05 -0.14 -2.07 -1.19 -5.16 119.66 110.57 2jn3 s GLN 56 Ca 0.00 -0.72 0.02 0.00 -1.82 0.00 0.00 55.36 52.83 2jn3 s GLN 56 Cb 0.00 0.56 0.02 0.00 -1.09 0.00 0.00 33.01 32.50 2jn3 s GLN 56 CO 0.00 -0.66 -0.07 0.95 -1.32 0.00 0.00 175.29 174.19 2jn3 s THR 57 N -3.72 0.73 -0.09 3.63 -4.23 -1.26 0.12 115.64 110.81 2jn3 s THR 57 Ca 0.07 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 2jn3 s THR 57 Cb -0.03 -0.70 0.02 0.00 1.34 0.00 0.00 72.50 73.12 2jn3 s THR 57 CO -0.01 0.26 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.51 2jn3 s VAL 58 N 0.72 1.27 0.04 2.29 1.01 0.60 -4.97 120.40 121.36 2jn3 s VAL 58 Ca -0.11 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2jn3 s VAL 58 Cb -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2jn3 s VAL 58 CO 0.01 0.39 -0.06 0.28 0.00 0.00 0.00 175.10 175.72 2jn3 s THR 59 N 0.99 3.64 0.01 3.92 -1.32 -1.26 -0.79 115.64 120.83 2jn3 s THR 59 Ca -0.08 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.48 2jn3 s THR 59 Cb -0.15 -2.63 -0.01 0.00 -1.51 0.00 0.00 72.50 68.20 2jn3 s THR 59 CO -0.01 0.29 -0.01 0.20 -2.21 0.00 0.00 174.62 172.88 2jn3 s ASN 60 N -1.73 0.13 -0.01 8.08 0.01 0.84 -4.82 114.94 117.43 2jn3 s ASN 60 Ca 0.19 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 2jn3 s ASN 60 Cb -0.11 0.02 0.01 0.00 0.41 0.00 0.00 41.25 41.59 2jn3 s ASN 60 CO 0.11 -0.08 0.01 -0.44 -1.51 0.00 0.00 177.10 175.18 2jn3 s SER 61 N -0.44 0.10 0.24 -1.22 0.01 -1.26 -1.58 113.70 109.55 2jn3 s SER 61 Ca -0.04 0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.14 2jn3 s SER 61 Cb -0.03 -0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 2jn3 s SER 61 CO -0.00 -0.06 0.38 0.72 0.41 0.00 0.00 173.24 174.69 2jn3 s PHE 62 N 0.52 0.66 0.14 2.43 -0.12 -1.14 -4.70 117.98 115.76 2jn3 s PHE 62 Ca -0.04 -0.97 0.09 0.00 -0.05 0.00 0.00 56.93 55.96 2jn3 s PHE 62 Cb -0.07 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 2jn3 s PHE 62 CO -0.01 -0.91 -0.18 0.99 -0.05 0.00 0.00 175.22 175.06 2jn3 s THR 63 N -3.97 2.78 -0.24 -4.49 2.01 -1.26 -2.13 115.64 108.34 2jn3 s THR 63 Ca 0.28 -1.61 -0.27 0.00 0.31 0.00 0.00 61.69 60.41 2jn3 s THR 63 Cb 0.02 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2jn3 s THR 63 CO 0.11 0.05 0.93 -0.22 -0.69 0.00 0.00 174.62 174.79 2jn3 s LEU 64 N -2.29 4.09 0.00 4.42 2.96 0.19 -3.36 118.68 124.70 2jn3 s LEU 64 Ca 0.19 1.20 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 2jn3 s LEU 64 Cb -0.10 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.24 2jn3 s LEU 64 CO 0.10 -0.59 0.00 0.61 -1.32 0.00 0.00 176.35 175.16 2jn3 n GLY 65 N 3.55 1.10 3.21 7.98 0.00 -1.19 -4.92 105.19 114.91 2jn3 n GLY 65 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.76 0.55 0.05 1.61 2.20 -1.21 -5.10 119.74 117.08 2jn3 s LYS 66 Ca 0.00 -0.04 -0.31 0.00 -0.36 0.00 0.00 55.97 55.26 2jn3 s LYS 66 Cb 0.00 0.25 -0.07 0.00 -1.51 0.00 0.00 37.83 36.50 2jn3 s LYS 66 CO 0.00 -0.13 1.46 -2.00 -0.36 0.00 0.00 175.35 174.31 2jn3 s GLU 67 N -0.90 4.27 0.07 4.03 2.12 -1.26 -4.49 118.70 122.54 2jn3 s GLU 67 Ca -0.10 2.09 0.07 0.00 0.36 0.00 0.00 54.97 57.39 2jn3 s GLU 67 Cb -0.05 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 2jn3 s GLU 67 CO 0.03 -0.57 -0.19 0.00 -0.54 0.00 0.00 175.26 173.99 2jn3 s ALA 68 N 2.03 1.65 0.13 6.30 0.00 -1.19 -4.93 121.76 125.75 2jn3 s ALA 68 Ca 0.66 -1.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 2jn3 s ALA 68 Cb -0.35 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 2jn3 s ALA 68 CO 0.29 0.33 0.77 -0.51 0.00 0.00 0.00 175.76 176.65 2jn3 s ASP 69 N -1.59 7.34 0.04 0.00 1.01 -1.26 -2.69 116.67 119.52 2jn3 s ASP 69 Ca 0.05 1.59 0.06 0.00 0.71 0.00 0.00 52.55 54.95 2jn3 s ASP 69 Cb -0.09 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2jn3 s ASP 69 CO 0.03 0.15 -0.16 -0.63 0.21 0.00 0.00 175.17 174.77 2jn3 s ILE 70 N -0.82 1.29 -0.09 0.77 -1.09 -0.29 -4.64 121.20 116.33 2jn3 s ILE 70 Ca 0.37 -1.04 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2jn3 s ILE 70 Cb -0.22 -1.15 -0.00 0.00 -1.58 0.00 0.00 42.46 39.51 2jn3 s ILE 70 CO 0.25 0.09 -0.24 0.28 -1.23 0.00 0.00 174.94 174.10 2jn3 s THR 71 N -0.80 2.11 0.56 2.92 -1.32 -1.26 -2.47 115.64 115.37 2jn3 s THR 71 Ca 0.04 -1.01 -0.08 0.00 -1.21 0.00 0.00 61.69 59.43 2jn3 s THR 71 Cb -0.08 -1.79 -0.03 0.00 -1.51 0.00 0.00 72.50 69.09 2jn3 s THR 71 CO 0.01 0.56 0.90 0.42 -2.21 0.00 0.00 174.62 174.31 2jn3 s THR 72 N 0.21 4.59 -0.78 5.08 -4.23 -0.29 -4.92 115.64 115.31 2jn3 s THR 72 Ca -0.15 0.42 0.23 0.00 -1.18 0.00 0.00 61.69 61.01 2jn3 s THR 72 Cb -0.17 -3.79 0.22 0.00 1.34 0.00 0.00 72.50 70.10 2jn3 s THR 72 CO 0.08 -0.89 1.70 0.23 -0.54 0.00 0.00 174.62 175.20 2jn3 n MET 73 N -2.52 0.12 0.00 3.99 2.81 -1.26 -2.48 117.12 117.78 2jn3 n MET 73 Ca 0.03 0.25 0.12 0.00 -1.81 0.00 0.00 57.70 56.29 2jn3 n MET 73 Cb 0.55 -1.68 0.29 0.00 -0.71 0.00 0.00 33.22 31.66 2jn3 n MET 73 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jn3 n ASP 74 N -1.90 0.51 0.00 7.83 5.75 -1.26 -4.94 116.55 122.54 2jn3 n ASP 74 Ca 0.04 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 2jn3 n ASP 74 Cb 0.28 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 2jn3 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jn3 n GLY 75 N 1.48 0.57 2.99 6.12 0.00 -1.04 -5.09 105.19 110.23 2jn3 n GLY 75 Ca 0.06 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 0.57 1.55 -0.08 1.61 2.20 -1.25 -4.95 119.74 119.39 2jn3 s LYS 76 Ca 0.00 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.23 2jn3 s LYS 76 Cb 0.00 -1.35 -0.04 0.00 -1.51 0.00 0.00 37.83 34.93 2jn3 s LYS 76 CO 0.00 -0.03 0.05 0.21 -0.36 0.00 0.00 175.35 175.22 2jn3 s LYS 77 N 0.85 3.12 -0.08 4.03 2.20 -1.26 -1.14 119.74 127.46 2jn3 s LYS 77 Ca -0.11 -0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 2jn3 s LYS 77 Cb -0.15 -2.91 0.12 0.00 -1.51 0.00 0.00 37.83 33.37 2jn3 s LYS 77 CO 0.01 0.71 0.97 -0.48 -0.36 0.00 0.00 175.35 176.20 2jn3 s LEU 78 N -1.09 -0.34 0.35 5.43 2.34 -1.03 -5.03 118.68 119.31 2jn3 s LEU 78 Ca 0.16 0.15 0.07 0.00 0.06 0.00 0.00 54.13 54.57 2jn3 s LEU 78 Cb -0.12 1.89 -0.02 0.00 -0.56 0.00 0.00 46.19 47.38 2jn3 s LEU 78 CO 0.05 -0.47 0.33 -0.54 -1.06 0.00 0.00 176.35 174.66 2jn3 s LYS 79 N -2.30 2.75 -0.30 1.48 1.02 -1.26 -1.14 119.74 119.99 2jn3 s LYS 79 Ca 0.03 -1.29 -0.25 0.00 0.02 0.00 0.00 55.97 54.48 2jn3 s LYS 79 Cb -0.01 -2.51 0.19 0.00 -0.52 0.00 0.00 37.83 34.98 2jn3 s LYS 79 CO -0.05 0.04 1.42 0.00 -0.92 0.00 0.00 175.35 175.85 2jn3 s THR 81 N 0.04 4.93 0.25 0.00 -4.23 -1.26 -3.15 115.64 112.22 2jn3 s THR 81 Ca 0.07 -0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.98 2jn3 s THR 81 Cb -0.05 -4.20 -0.09 0.00 1.34 0.00 0.00 72.50 69.50 2jn3 s THR 81 CO -0.15 -0.64 0.96 -0.69 -0.54 0.00 0.00 174.62 173.56 2jn3 s VAL 82 N 2.51 4.03 0.10 2.29 1.01 -1.26 -4.56 120.40 124.52 2jn3 s VAL 82 Ca 0.16 2.01 -0.06 0.00 0.00 0.00 0.00 61.98 64.09 2jn3 s VAL 82 Cb -0.17 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 2jn3 s VAL 82 CO 0.14 0.46 0.15 -1.38 0.00 0.00 0.00 175.10 174.47 2jn3 s HIS 83 N -1.22 0.34 -0.15 5.22 -3.43 -1.19 -3.19 115.29 111.68 2jn3 s HIS 83 Ca 0.42 -0.78 -0.06 0.00 -0.80 0.00 0.00 55.06 53.84 2jn3 s HIS 83 Cb -0.26 -0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.69 2jn3 s HIS 83 CO 0.32 -0.54 0.07 -0.51 -2.00 0.00 0.00 174.74 172.07 2jn3 s LEU 84 N -2.91 3.89 -0.06 5.38 1.43 -1.26 -1.23 118.68 123.92 2jn3 s LEU 84 Ca 0.10 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2jn3 s LEU 84 Cb 0.05 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.35 2jn3 s LEU 84 CO -0.07 0.27 0.02 0.00 0.23 0.00 0.00 176.35 176.79 2jn3 s ALA 85 N -0.21 0.55 -1.64 4.21 0.00 -0.40 -4.81 121.76 119.46 2jn3 s ALA 85 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2jn3 s ALA 85 Cb -0.12 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2jn3 s ALA 85 CO 0.01 -0.45 0.20 0.09 0.00 0.00 0.00 175.76 175.61 2jn3 n ASN 86 N 5.15 -5.72 -1.72 0.00 3.02 -1.26 -1.91 115.26 112.81 2jn3 n ASN 86 Ca -0.07 -0.09 -0.08 0.00 -0.03 0.00 0.00 54.58 54.32 2jn3 n ASN 86 Cb 0.50 -4.73 0.03 0.00 -0.61 0.00 0.00 39.78 34.98 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 -1.15 0.31 3.47 7.41 0.00 -1.26 -5.04 105.19 108.93 2jn3 n GLY 87 Ca -0.19 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 2jn3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jn3 s LYS 88 N -5.07 0.48 0.26 1.61 1.02 -0.80 -4.85 119.74 112.38 2jn3 s LYS 88 Ca 0.13 1.23 -0.30 0.00 0.02 0.00 0.00 55.97 57.05 2jn3 s LYS 88 Cb -0.06 0.54 -0.10 0.00 -0.52 0.00 0.00 37.83 37.69 2jn3 s LYS 88 CO 0.26 -0.21 1.38 -1.17 -0.92 0.00 0.00 175.35 174.69 2jn3 s LEU 89 N 2.56 4.40 -0.10 3.17 0.20 -1.20 -1.28 118.68 126.44 2jn3 s LEU 89 Ca -0.05 2.61 -0.03 0.00 0.69 0.00 0.00 54.13 57.35 2jn3 s LEU 89 Cb -0.11 -3.63 0.05 0.00 -0.43 0.00 0.00 46.19 42.07 2jn3 s LEU 89 CO -0.16 -0.62 0.13 -0.69 -0.29 0.00 0.00 176.35 174.72 2jn3 s VAL 90 N -0.24 -0.21 -0.55 1.68 1.01 -0.37 -2.16 120.40 119.56 2jn3 s VAL 90 Ca 0.56 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 2jn3 s VAL 90 Cb -0.40 -0.35 0.14 0.00 0.00 0.00 0.00 36.38 35.77 2jn3 s VAL 90 CO 0.44 0.05 0.39 -0.89 0.00 0.00 0.00 175.10 175.09 2jn3 s THR 91 N 2.25 3.92 0.30 3.92 2.01 0.04 -3.18 115.64 124.89 2jn3 s THR 91 Ca 0.04 -2.38 -0.06 0.00 0.31 0.00 0.00 61.69 59.60 2jn3 s THR 91 Cb -0.13 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2jn3 s THR 91 CO -0.06 -0.82 0.58 -1.59 -0.69 0.00 0.00 174.62 172.03 2jn3 s LYS 92 N 0.63 3.66 0.00 4.92 -2.85 -1.26 -1.40 119.74 123.43 2jn3 s LYS 92 Ca 0.12 0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 2jn3 s LYS 92 Cb -0.21 -2.62 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 2jn3 s LYS 92 CO -0.03 0.19 0.00 0.45 0.10 0.00 0.00 175.35 176.06 2jn3 n SER 93 N -0.93 0.00 -2.10 0.03 2.88 -0.63 -4.60 113.62 108.27 2jn3 n SER 93 Ca -0.01 -0.39 -0.24 0.00 -1.33 0.00 0.00 58.87 56.89 2jn3 n SER 93 Cb 0.54 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.15 2jn3 n SER 93 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jn3 n GLU 94 N 0.00 2.36 0.00 -1.46 -0.58 -1.26 -4.34 120.64 115.36 2jn3 n GLU 94 Ca 0.00 -3.16 0.00 0.00 -0.42 0.00 0.00 57.16 53.58 2jn3 n GLU 94 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 2jn3 n GLU 94 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2jn3 n LYS 95 N -1.07 0.00 -3.64 3.49 2.85 -1.26 -5.15 118.16 113.38 2jn3 n LYS 95 Ca 0.56 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.80 2jn3 n LYS 95 Cb 1.29 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.62 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 -0.04 0.24 5.58 -0.12 -1.26 -4.72 117.98 117.65 2jn3 s PHE 96 Ca 0.00 0.08 0.10 0.00 -0.05 0.00 0.00 56.93 57.06 2jn3 s PHE 96 Cb 0.00 0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 42.83 2jn3 s PHE 96 CO 0.00 -0.04 -0.17 -1.12 -0.05 0.00 0.00 175.22 173.84 2jn3 s SER 97 N -0.85 3.01 -0.02 1.98 0.01 -0.72 -1.61 113.70 115.50 2jn3 s SER 97 Ca 0.08 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.29 2jn3 s SER 97 Cb -0.02 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2jn3 s SER 97 CO -0.09 -0.08 0.07 -2.28 0.41 0.00 0.00 173.24 171.27 2jn3 s HIS 98 N -2.76 -0.02 -0.24 2.43 5.04 -0.50 -2.73 115.29 116.52 2jn3 s HIS 98 Ca 0.25 0.05 -0.10 0.00 -1.54 0.00 0.00 55.06 53.73 2jn3 s HIS 98 Cb -0.03 -0.02 0.10 0.00 0.04 0.00 0.00 32.58 32.67 2jn3 s HIS 98 CO 0.10 -0.10 0.53 -1.21 -2.34 0.00 0.00 174.74 171.73 2jn3 s GLU 99 N -0.39 0.47 0.17 2.88 2.02 0.14 -0.78 118.70 123.21 2jn3 s GLU 99 Ca -0.05 1.16 0.06 0.00 0.02 0.00 0.00 54.97 56.16 2jn3 s GLU 99 Cb -0.03 0.41 -0.04 0.00 0.10 0.00 0.00 34.13 34.57 2jn3 s GLU 99 CO 0.00 -0.20 -0.13 -1.14 0.02 0.00 0.00 175.26 173.81 2jn3 s GLN 100 N 2.35 1.16 0.09 1.61 0.74 -0.92 0.35 119.66 125.04 2jn3 s GLN 100 Ca -0.06 -1.47 -0.22 0.00 0.05 0.00 0.00 55.36 53.67 2jn3 s GLN 100 Cb -0.10 -0.87 0.05 0.00 1.10 0.00 0.00 33.01 33.19 2jn3 s GLN 100 CO -0.16 0.14 0.53 -2.00 -0.55 0.00 0.00 175.29 173.25 2jn3 s GLU 101 N -3.52 1.11 -0.03 1.67 2.12 -0.14 -3.23 118.70 116.68 2jn3 s GLU 101 Ca 0.18 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.22 2jn3 s GLU 101 Cb -0.00 0.51 -0.02 0.00 0.26 0.00 0.00 34.13 34.88 2jn3 s GLU 101 CO 0.03 -0.43 -0.24 0.08 -0.54 0.00 0.00 175.26 174.17 2jn3 s VAL 102 N -2.97 2.23 -0.39 3.70 1.01 -1.26 -1.23 120.40 121.49 2jn3 s VAL 102 Ca -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2jn3 s VAL 102 Cb -0.00 -1.79 0.14 0.00 0.00 0.00 0.00 36.38 34.72 2jn3 s VAL 102 CO -0.06 0.58 0.23 -0.54 0.00 0.00 0.00 175.10 175.31 2jn3 s LYS 103 N -0.55 0.91 3.65 2.72 1.02 -0.69 -4.91 119.74 121.90 2jn3 s LYS 103 Ca 0.08 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.40 2jn3 s LYS 103 Cb -0.11 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2jn3 s LYS 103 CO 0.00 -1.19 0.00 0.41 -0.92 0.00 0.00 175.35 173.65 2jn3 n GLY 104 N 3.78 1.79 0.01 -3.33 0.00 -1.26 -3.29 105.19 102.89 2jn3 n GLY 104 Ca 0.11 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.86 2jn3 n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jn3 n ASN 105 N 6.29 1.71 -4.51 1.61 3.02 -1.26 -4.63 115.26 117.49 2jn3 n ASN 105 Ca 0.00 -1.92 -0.28 0.00 -0.03 0.00 0.00 54.58 52.34 2jn3 n ASN 105 Cb 0.00 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 2jn3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jn3 s GLU 106 N -0.96 1.86 -0.04 3.52 2.02 -1.21 -2.30 118.70 121.60 2jn3 s GLU 106 Ca 0.02 -1.23 0.06 0.00 0.02 0.00 0.00 54.97 53.84 2jn3 s GLU 106 Cb 0.02 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 2jn3 s GLU 106 CO 0.00 0.46 -0.23 -1.64 0.02 0.00 0.00 175.26 173.87 2jn3 s MET 107 N -2.40 2.18 -0.14 1.61 -1.94 0.53 -1.70 119.30 117.45 2jn3 s MET 107 Ca 0.20 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 2jn3 s MET 107 Cb -0.10 -1.94 0.02 0.00 2.01 0.00 0.00 34.83 34.82 2jn3 s MET 107 CO 0.12 0.40 -0.13 0.08 -0.01 0.00 0.00 175.02 175.48 2jn3 s VAL 108 N -0.27 1.49 -0.25 -6.03 1.01 -0.36 0.67 120.40 116.66 2jn3 s VAL 108 Ca 0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2jn3 s VAL 108 Cb -0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2jn3 s VAL 108 CO 0.02 0.44 0.03 -1.61 0.00 0.00 0.00 175.10 173.98 2jn3 s GLU 109 N 1.47 3.40 -0.28 2.72 2.02 0.13 -0.96 118.70 127.20 2jn3 s GLU 109 Ca 0.04 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.33 2jn3 s GLU 109 Cb -0.13 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 2jn3 s GLU 109 CO -0.09 -0.25 0.07 0.99 0.02 0.00 0.00 175.26 175.99 2jn3 s THR 110 N 1.53 4.02 -0.07 3.63 2.01 1.07 -0.76 115.64 127.07 2jn3 s THR 110 Ca 0.05 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.55 2jn3 s THR 110 Cb -0.15 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2jn3 s THR 110 CO 0.01 0.17 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.31 2jn3 s ILE 111 N 1.53 1.49 -0.12 1.82 1.01 -0.87 0.24 121.20 126.30 2jn3 s ILE 111 Ca 0.04 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 2jn3 s ILE 111 Cb -0.16 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2jn3 s ILE 111 CO 0.02 0.43 -0.05 -0.89 0.00 0.00 0.00 174.94 174.45 2jn3 s THR 112 N 0.40 3.81 -0.25 2.92 2.01 -1.11 -0.40 115.64 123.01 2jn3 s THR 112 Ca -0.13 -0.41 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 2jn3 s THR 112 Cb -0.15 -2.62 0.08 0.00 0.01 0.00 0.00 72.50 69.82 2jn3 s THR 112 CO 0.05 0.54 0.60 0.12 -0.69 0.00 0.00 174.62 175.24 2jn3 s PHE 113 N -0.18 -0.97 -0.88 4.92 2.19 0.14 -1.75 117.98 121.44 2jn3 s PHE 113 Ca 0.03 1.92 -0.02 0.00 0.33 0.00 0.00 56.93 59.19 2jn3 s PHE 113 Cb -0.13 0.55 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 2jn3 s PHE 113 CO 0.03 -0.50 0.25 0.41 1.83 0.00 0.00 175.22 177.23 2jn3 n GLY 114 N 4.51 -0.01 2.42 13.12 0.00 -1.26 -1.96 105.19 122.00 2jn3 n GLY 114 Ca -0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 0.42 3.40 -0.02 0.00 -1.26 -4.99 105.19 101.61 2jn3 n GLY 115 Ca -0.08 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.69 2.70 -0.11 1.61 1.01 -0.83 -5.12 120.40 117.96 2jn3 s VAL 116 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2jn3 s VAL 116 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2jn3 s VAL 116 CO 0.00 0.58 -0.12 -0.89 0.00 0.00 0.00 175.10 174.67 2jn3 s THR 117 N -0.52 3.19 0.14 3.92 2.01 -1.26 0.23 115.64 123.36 2jn3 s THR 117 Ca 0.07 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.52 2jn3 s THR 117 Cb -0.11 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2jn3 s THR 117 CO 0.01 0.54 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.18 2jn3 s LEU 118 N 0.07 3.07 -0.38 4.42 2.96 0.46 -4.92 118.68 124.36 2jn3 s LEU 118 Ca -0.05 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2jn3 s LEU 118 Cb -0.14 -1.80 0.12 0.00 0.50 0.00 0.00 46.19 44.86 2jn3 s LEU 118 CO 0.04 0.14 0.16 -0.63 -1.32 0.00 0.00 176.35 174.74 2jn3 s ILE 119 N -1.45 1.27 -0.14 6.68 1.01 -1.26 -2.06 121.20 125.27 2jn3 s ILE 119 Ca 0.23 -2.06 -0.22 0.00 0.00 0.00 0.00 60.65 58.60 2jn3 s ILE 119 Cb -0.10 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2jn3 s ILE 119 CO 0.15 -0.78 0.67 -0.60 0.00 0.00 0.00 174.94 174.38 2jn3 s ARG 120 N 0.92 4.32 -0.21 2.79 3.52 0.06 -3.61 118.95 126.75 2jn3 s ARG 120 Ca 0.14 0.76 -0.06 0.00 -0.13 0.00 0.00 55.73 56.44 2jn3 s ARG 120 Cb -0.21 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.64 2jn3 s ARG 120 CO -0.11 -0.10 0.03 1.03 -0.81 0.00 0.00 175.30 175.34 2jn3 s ARG 121 N 1.40 3.71 0.11 5.12 0.52 -0.11 0.19 118.95 129.88 2jn3 s ARG 121 Ca 0.33 -0.47 0.09 0.00 -0.52 0.00 0.00 55.73 55.16 2jn3 s ARG 121 Cb -0.17 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2jn3 s ARG 121 CO 0.14 0.03 -0.24 -1.12 0.02 0.00 0.00 175.30 174.13 2jn3 s SER 122 N 0.98 2.89 0.13 0.23 0.01 0.21 -2.17 113.70 115.98 2jn3 s SER 122 Ca 0.03 -0.70 0.09 0.00 1.31 0.00 0.00 55.95 56.67 2jn3 s SER 122 Cb -0.14 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2jn3 s SER 122 CO 0.02 0.13 -0.16 -0.75 0.41 0.00 0.00 173.24 172.89 2jn3 s LYS 123 N -1.89 1.87 0.12 12.44 2.20 -0.63 0.20 119.74 134.05 2jn3 s LYS 123 Ca 0.10 -1.18 -0.30 0.00 -0.36 0.00 0.00 55.97 54.23 2jn3 s LYS 123 Cb -0.10 -2.14 -0.07 0.00 -1.51 0.00 0.00 37.83 34.01 2jn3 s LYS 123 CO 0.05 0.48 1.14 0.50 -0.36 0.00 0.00 175.35 177.15 2jn3 s ARG 124 N -2.27 4.51 0.00 4.03 3.52 -0.97 -0.91 118.95 126.87 2jn3 s ARG 124 Ca 0.20 1.73 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 2jn3 s ARG 124 Cb -0.10 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2jn3 s ARG 124 CO 0.11 -0.09 0.00 1.55 -0.81 0.00 0.00 175.30 176.07