#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnb n THR 2 N 0.00 0.00 -3.32 2.03 -2.24 -1.26 -5.13 114.28 104.36 2jnb n THR 2 Ca 0.00 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.55 2jnb n THR 2 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 2jnb n THR 2 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2jnb s GLU 3 N -1.17 0.81 0.40 -0.78 -1.05 -1.26 -5.14 118.70 110.51 2jnb s GLU 3 Ca 0.00 -1.59 -0.12 0.00 -0.15 0.00 0.00 54.97 53.11 2jnb s GLU 3 Cb 0.00 -1.09 -0.07 0.00 -0.44 0.00 0.00 34.13 32.53 2jnb s GLU 3 CO 0.00 -1.31 0.78 0.00 0.95 0.00 0.00 175.26 175.68 2jnb s ALA 4 N 0.61 3.32 -0.86 -0.84 0.00 -1.26 -5.01 121.76 117.73 2jnb s ALA 4 Ca 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2jnb s ALA 4 Cb -0.05 -2.74 0.34 0.00 0.00 0.00 0.00 23.12 20.66 2jnb s ALA 4 CO -0.11 0.04 1.61 -0.25 0.00 0.00 0.00 175.76 177.05 2jnb n ASP 5 N -1.15 6.56 -4.83 0.00 8.00 -1.26 -5.01 116.55 118.86 2jnb n ASP 5 Ca 0.03 -3.72 -0.37 0.00 0.71 0.00 0.00 54.79 51.44 2jnb n ASP 5 Cb 0.54 -0.97 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 2jnb n ASP 5 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jnb s VAL 6 N -4.57 5.26 0.16 2.53 0.11 -1.26 -5.09 120.40 117.54 2jnb s VAL 6 Ca 0.44 0.55 -0.20 0.00 -2.93 0.00 0.00 61.98 59.84 2jnb s VAL 6 Cb 0.26 -3.58 0.05 0.00 -1.53 0.00 0.00 36.38 31.59 2jnb s VAL 6 CO -0.18 0.56 0.53 0.20 -3.33 0.00 0.00 175.10 172.88 2jnb s ASN 7 N -0.78 -0.43 0.40 3.54 0.01 -1.26 -5.03 114.94 111.39 2jnb s ASN 7 Ca 0.19 -0.15 0.29 0.00 -0.71 0.00 0.00 52.86 52.47 2jnb s ASN 7 Cb -0.14 0.56 1.19 0.00 0.41 0.00 0.00 41.25 43.27 2jnb s ASN 7 CO 0.08 -0.95 1.85 1.55 -1.51 0.00 0.00 177.10 178.12 2jnb h PRO 8 N 2.13 0.00 0.00 -0.60 0.13 -1.99 -2.85 132.00 128.82 2jnb h PRO 8 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 2jnb h PRO 8 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jnb h PRO 8 CO 0.40 0.00 -0.15 0.87 -0.23 0.00 0.00 178.00 178.90 2jnb h LYS 9 N 0.00 0.00 -1.19 0.86 6.56 -2.01 -2.54 116.57 118.24 2jnb h LYS 9 Ca 0.00 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.05 2jnb h LYS 9 Cb 0.42 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 31.85 2jnb h LYS 9 CO 0.00 0.15 0.70 0.00 -2.06 0.00 0.00 179.45 178.24 2jnb n ALA 10 N -2.36 5.85 -2.28 3.86 0.00 -1.08 -4.92 120.51 119.58 2jnb n ALA 10 Ca -0.02 -2.77 -0.16 0.00 0.00 0.00 0.00 53.44 50.50 2jnb n ALA 10 Cb 0.24 -1.61 -0.10 0.00 0.00 0.00 0.00 19.45 17.98 2jnb n ALA 10 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jnb s TYR 11 N -3.05 1.40 0.44 0.00 1.51 -0.96 -3.92 117.35 112.78 2jnb s TYR 11 Ca 0.52 -0.70 -0.24 0.00 -1.01 0.00 0.00 57.07 55.64 2jnb s TYR 11 Cb 0.41 -0.69 -0.08 0.00 -0.11 0.00 0.00 41.96 41.49 2jnb s TYR 11 CO -0.00 0.17 1.17 -1.25 -1.11 0.00 0.00 175.55 174.52 2jnb s PRO 12 N -3.72 3.83 -0.03 -1.71 0.04 -1.26 -4.99 135.00 127.17 2jnb s PRO 12 Ca 0.19 1.80 0.01 0.00 0.04 0.00 0.00 61.00 63.04 2jnb s PRO 12 Cb 0.02 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2jnb s PRO 12 CO 0.03 -0.50 -0.04 -1.17 0.04 0.00 0.00 177.00 175.36 2jnb s LEU 13 N -2.88 3.32 -0.21 -3.56 2.96 -1.25 -3.71 118.68 113.35 2jnb s LEU 13 Ca 0.62 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 2jnb s LEU 13 Cb -0.29 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.57 2jnb s LEU 13 CO 0.36 0.32 -0.12 0.00 -1.32 0.00 0.00 176.35 175.59 2jnb s ALA 14 N -0.95 2.57 1.16 5.97 0.00 -0.74 -5.03 121.76 124.73 2jnb s ALA 14 Ca 0.16 -1.25 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 2jnb s ALA 14 Cb -0.11 -1.46 0.18 0.00 0.00 0.00 0.00 23.12 21.74 2jnb s ALA 14 CO 0.06 -0.47 0.33 -0.40 0.00 0.00 0.00 175.76 175.28 2jnb n ASP 15 N 4.69 -2.51 0.07 0.00 5.68 -1.26 -1.95 116.55 121.26 2jnb n ASP 15 Ca -0.19 -0.25 0.19 0.00 -0.50 0.00 0.00 54.79 54.03 2jnb n ASP 15 Cb 0.50 -0.99 0.71 0.00 -1.14 0.00 0.00 41.12 40.20 2jnb n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jnb h ALA 16 N -2.45 2.31 0.15 2.12 0.00 -1.98 -1.91 119.26 117.50 2jnb h ALA 16 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jnb h ALA 16 Cb 1.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2jnb h ALA 16 CO 0.37 -0.54 -0.14 1.25 0.00 0.00 0.00 179.25 180.19 2jnb h HIS 17 N 0.00 -0.36 0.00 0.00 6.17 -1.95 -0.23 115.15 118.78 2jnb h HIS 17 Ca 0.20 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.23 2jnb h HIS 17 Cb 0.84 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.91 2jnb h HIS 17 CO 0.00 -0.22 -0.23 -0.07 0.71 0.00 0.00 177.93 178.13 2jnb h LEU 18 N -0.32 0.00 -0.65 0.26 3.38 -1.65 -2.23 115.31 114.10 2jnb h LEU 18 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jnb h LEU 18 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jnb h LEU 18 CO -0.03 0.23 -0.40 0.74 0.09 0.00 0.00 178.44 179.07 2jnb h THR 19 N 0.00 0.83 -0.04 0.22 2.02 -1.00 -3.26 112.91 111.68 2jnb h THR 19 Ca -0.00 -1.70 0.04 0.00 0.77 0.00 0.00 66.41 65.51 2jnb h THR 19 Cb 0.49 2.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 2jnb h THR 19 CO 0.03 0.39 -0.24 0.50 0.37 0.00 0.00 175.52 176.57 2jnb h LYS 20 N 0.00 -0.34 -0.69 6.66 3.64 -0.41 0.16 116.57 125.59 2jnb h LYS 20 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2jnb h LYS 20 Cb 1.04 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 2jnb h LYS 20 CO 0.05 -0.23 0.34 1.57 -2.27 0.00 0.00 179.45 178.91 2jnb h LYS 21 N -0.35 0.98 -0.75 1.90 2.10 -1.68 -2.47 116.57 116.29 2jnb h LYS 21 Ca 0.07 -0.13 -0.06 0.00 -2.00 0.00 0.00 60.65 58.54 2jnb h LYS 21 Cb 0.46 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.57 2jnb h LYS 21 CO -0.24 0.75 0.25 1.25 -2.00 0.00 0.00 179.45 179.46 2jnb h LEU 22 N 0.98 1.08 -0.44 7.07 5.85 -1.39 -0.64 115.31 127.82 2jnb h LEU 22 Ca 0.24 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jnb h LEU 22 Cb 0.09 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2jnb h LEU 22 CO -0.03 0.99 0.08 -0.07 -0.34 0.00 0.00 178.44 179.07 2jnb h LEU 23 N 1.11 -0.00 -0.58 2.25 4.07 -0.22 -0.35 115.31 121.59 2jnb h LEU 23 Ca 0.24 0.08 -0.12 0.00 0.08 0.00 0.00 57.88 58.16 2jnb h LEU 23 Cb 0.29 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 2jnb h LEU 23 CO -0.01 0.03 -0.56 -0.78 -1.08 0.00 0.00 178.44 176.04 2jnb h ASP 24 N 0.21 0.00 0.63 -0.43 1.82 -1.43 -2.64 116.42 114.58 2jnb h ASP 24 Ca 0.22 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.80 2jnb h ASP 24 Cb 0.27 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2jnb h ASP 24 CO -0.29 0.56 -0.26 0.25 -1.61 0.00 0.00 179.24 177.90 2jnb h LEU 25 N 0.00 0.00 0.12 2.28 5.85 0.11 -3.05 115.31 120.62 2jnb h LEU 25 Ca -0.01 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 2jnb h LEU 25 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2jnb h LEU 25 CO 0.07 0.26 -1.80 0.58 -0.34 0.00 0.00 178.44 177.21 2jnb h VAL 26 N 0.00 0.84 -0.51 1.05 2.07 -0.99 -3.34 116.25 115.38 2jnb h VAL 26 Ca -0.00 -2.53 0.14 0.00 0.82 0.00 0.00 66.70 65.12 2jnb h VAL 26 Cb 0.64 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 2jnb h VAL 26 CO 0.03 0.81 0.36 -0.61 0.02 0.00 0.00 177.57 178.19 2jnb h GLN 27 N 0.07 0.04 -0.00 1.57 4.15 -1.37 0.12 115.11 119.68 2jnb h GLN 27 Ca -0.35 -0.00 -0.18 0.00 0.77 0.00 0.00 58.65 58.90 2jnb h GLN 27 Cb 2.04 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.71 2jnb h GLN 27 CO 0.12 0.03 -0.81 1.96 -1.93 0.00 0.00 178.83 178.20 2jnb h GLN 28 N 0.04 0.07 -0.20 1.69 4.20 -1.67 -3.25 115.11 116.00 2jnb h GLN 28 Ca 0.24 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.93 2jnb h GLN 28 Cb 0.92 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.65 2jnb h GLN 28 CO -0.01 0.84 -0.25 1.03 -0.67 0.00 0.00 178.83 179.77 2jnb h SER 29 N 0.04 -0.79 0.25 1.46 0.87 -0.88 0.63 113.55 115.13 2jnb h SER 29 Ca -0.02 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2jnb h SER 29 Cb 1.42 0.36 -0.00 0.00 -0.44 0.00 0.00 62.40 63.74 2jnb h SER 29 CO 0.11 -0.29 -0.11 0.00 -0.53 0.00 0.00 176.83 176.01 2jnb h ASN 31 N 0.00 0.00 -0.44 0.00 -0.73 -0.92 -2.01 115.58 111.48 2jnb h ASN 31 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2jnb h ASN 31 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.86 2jnb h ASN 31 CO 0.01 0.20 0.00 0.00 -0.37 0.00 0.00 177.43 177.28 2jnb n TYR 32 N -3.63 1.09 -2.72 0.67 4.19 -0.59 -4.89 117.16 111.28 2jnb n TYR 32 Ca -0.01 -0.42 -0.18 0.00 3.31 0.00 0.00 57.90 60.59 2jnb n TYR 32 Cb 0.33 -0.21 0.02 0.00 0.49 0.00 0.00 39.34 39.97 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2jnb n LYS 33 N 0.67 -3.28 -3.78 2.98 5.02 -0.75 -5.00 118.16 114.03 2jnb n LYS 33 Ca 0.18 0.78 -0.13 0.00 -2.02 0.00 0.00 58.31 57.12 2jnb n LYS 33 Cb 0.69 -5.29 -0.14 0.00 -0.02 0.00 0.00 35.03 30.27 2jnb n LYS 33 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2jnb s GLN 34 N -5.31 0.13 0.12 1.97 1.03 -1.09 -5.04 119.66 111.48 2jnb s GLN 34 Ca 0.18 0.32 -0.25 0.00 0.04 0.00 0.00 55.36 55.64 2jnb s GLN 34 Cb -0.08 -0.07 0.08 0.00 0.03 0.00 0.00 33.01 32.97 2jnb s GLN 34 CO 0.22 -0.11 1.05 -0.48 -2.54 0.00 0.00 175.29 173.43 2jnb s LEU 35 N 0.73 -0.11 -0.30 2.60 0.05 -1.26 -2.67 118.68 117.72 2jnb s LEU 35 Ca -0.05 -0.41 -0.14 0.00 0.05 0.00 0.00 54.13 53.57 2jnb s LEU 35 Cb -0.07 1.97 0.17 0.00 -2.05 0.00 0.00 46.19 46.21 2jnb s LEU 35 CO -0.04 -0.79 0.97 -0.60 -0.55 0.00 0.00 176.35 175.34 2jnb s ARG 36 N -2.84 0.29 -0.58 1.48 6.06 -1.25 -4.96 118.95 117.14 2jnb s ARG 36 Ca 0.15 0.70 0.04 0.00 -2.50 0.00 0.00 55.73 54.13 2jnb s ARG 36 Cb -0.00 0.42 0.16 0.00 0.06 0.00 0.00 34.95 35.58 2jnb s ARG 36 CO 0.02 -0.14 0.40 0.15 -2.50 0.00 0.00 175.30 173.22 2jnb s LYS 37 N 2.54 1.89 -0.26 5.12 3.01 -1.26 -0.93 119.74 129.85 2jnb s LYS 37 Ca -0.01 -2.80 -0.27 0.00 -1.01 0.00 0.00 55.97 51.88 2jnb s LYS 37 Cb -0.07 -2.80 0.15 0.00 -1.01 0.00 0.00 37.83 34.10 2jnb s LYS 37 CO -0.17 -1.27 1.20 0.20 0.51 0.00 0.00 175.35 175.82 2jnb s GLY 38 N -0.73 0.01 0.12 -3.33 0.00 0.70 -4.95 107.32 99.15 2jnb s GLY 38 Ca 0.25 2.81 -0.02 0.00 0.00 0.00 0.00 44.72 47.76 2jnb s GLY 38 CO -0.13 1.58 1.27 0.00 0.00 0.00 0.00 173.10 175.82 2jnb h ALA 39 N 3.20 0.32 0.01 3.20 0.00 -1.93 -2.47 119.26 121.59 2jnb h ALA 39 Ca -0.23 -0.77 -0.25 0.00 0.00 0.00 0.00 54.91 53.66 2jnb h ALA 39 Cb 1.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2jnb h ALA 39 CO 0.19 0.91 -1.30 -0.91 0.00 0.00 0.00 179.25 178.14 2jnb h ASN 40 N 0.14 0.04 0.90 0.00 2.35 -1.90 -3.31 115.58 113.80 2jnb h ASN 40 Ca -0.08 -0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.48 2jnb h ASN 40 Cb 1.69 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 40.03 2jnb h ASN 40 CO 0.17 1.05 -0.60 -0.33 -1.65 0.00 0.00 177.43 176.06 2jnb h GLU 41 N 0.01 0.00 -0.19 0.81 3.07 -1.94 -3.10 114.58 113.23 2jnb h GLU 41 Ca -0.13 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.79 2jnb h GLU 41 Cb 1.88 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.78 2jnb h GLU 41 CO 0.12 0.60 0.23 0.00 -1.40 0.00 0.00 179.01 178.56 2jnb h ALA 42 N 1.40 1.78 0.00 3.43 0.00 -1.52 0.20 119.26 124.54 2jnb h ALA 42 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2jnb h ALA 42 Cb 1.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2jnb h ALA 42 CO 0.08 -0.33 -0.31 1.79 0.00 0.00 0.00 179.25 180.47 2jnb h THR 43 N 0.00 0.72 -0.22 0.00 1.35 -1.72 -3.17 112.91 109.86 2jnb h THR 43 Ca 0.09 -1.38 -0.04 0.00 -0.55 0.00 0.00 66.41 64.52 2jnb h THR 43 Cb 0.56 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 2jnb h THR 43 CO -0.00 0.30 -0.04 0.50 -0.25 0.00 0.00 175.52 176.04 2jnb h LYS 44 N 0.00 0.42 0.35 4.72 3.64 -0.78 -2.62 116.57 122.30 2jnb h LYS 44 Ca -0.00 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jnb h LYS 44 Cb 0.87 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2jnb h LYS 44 CO 0.04 0.64 -0.49 1.79 -2.27 0.00 0.00 179.45 179.16 2jnb h THR 45 N 0.16 0.05 -0.64 1.00 1.35 -1.58 -0.39 112.91 112.86 2jnb h THR 45 Ca 0.06 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.10 2jnb h THR 45 Cb 0.47 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 66.92 2jnb h THR 45 CO 0.02 0.00 0.45 -0.07 -0.25 0.00 0.00 175.52 175.67 2jnb h LEU 46 N -0.88 0.03 -0.62 3.87 3.38 -1.61 0.26 115.31 119.74 2jnb h LEU 46 Ca -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2jnb h LEU 46 Cb 0.81 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2jnb h LEU 46 CO -0.14 0.02 -0.64 -1.13 0.09 0.00 0.00 178.44 176.64 2jnb h ASN 47 N 0.03 0.24 1.40 -0.43 -1.24 -0.82 -3.06 115.58 111.69 2jnb h ASN 47 Ca 0.30 -0.14 -0.10 0.00 0.71 0.00 0.00 56.30 57.07 2jnb h ASN 47 Cb 1.17 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 40.13 2jnb h ASN 47 CO -0.01 0.81 -0.62 0.03 -1.29 0.00 0.00 177.43 176.35 2jnb h ARG 48 N 0.15 0.00 -0.99 6.67 2.47 0.10 -3.48 114.38 119.30 2jnb h ARG 48 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2jnb h ARG 48 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2jnb h ARG 48 CO 0.10 0.42 0.00 0.41 0.56 0.00 0.00 179.97 181.46 2jnb n GLY 49 N 1.24 0.75 0.15 0.04 0.00 -0.13 -4.99 105.19 102.25 2jnb n GLY 49 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2jnb n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jnb n ILE 50 N -1.29 0.00 -2.86 -0.61 -0.00 -1.19 -5.06 119.36 108.36 2jnb n ILE 50 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.33 2jnb n ILE 50 Cb 0.35 0.71 -0.04 0.00 -0.00 0.00 0.00 39.64 40.65 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2jnb s SER 51 N -0.25 6.72 -0.12 7.28 0.15 -1.26 -3.88 113.70 122.35 2jnb s SER 51 Ca 0.00 0.73 -0.23 0.00 0.70 0.00 0.00 55.95 57.15 2jnb s SER 51 Cb 0.00 -2.45 -0.26 0.00 -1.71 0.00 0.00 66.02 61.60 2jnb s SER 51 CO 0.00 -0.71 0.65 -0.08 1.20 0.00 0.00 173.24 174.30 2jnb h GLU 52 N 8.17 0.14 -1.57 5.44 4.57 -1.19 -3.48 114.58 126.67 2jnb h GLU 52 Ca -0.23 -0.23 0.13 0.00 -1.18 0.00 0.00 59.36 57.84 2jnb h GLU 52 Cb 1.09 0.09 -0.22 0.00 -0.16 0.00 0.00 28.75 29.54 2jnb h GLU 52 CO 0.93 1.11 0.63 -0.59 -1.18 0.00 0.00 179.01 179.91 2jnb s PHE 53 N -2.36 -0.29 -0.09 0.92 -0.12 -1.23 -4.95 117.98 109.85 2jnb s PHE 53 Ca -0.20 0.44 0.01 0.00 -0.05 0.00 0.00 56.93 57.14 2jnb s PHE 53 Cb 0.01 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.86 2jnb s PHE 53 CO 0.73 -0.31 -0.12 0.42 -0.05 0.00 0.00 175.22 175.89 2jnb s ILE 54 N -1.48 3.21 -0.14 -4.49 -1.09 -1.26 -2.26 121.20 113.69 2jnb s ILE 54 Ca 0.02 -0.64 -0.01 0.00 -2.23 0.00 0.00 60.65 57.79 2jnb s ILE 54 Cb -0.01 -2.31 -0.02 0.00 -1.58 0.00 0.00 42.46 38.55 2jnb s ILE 54 CO -0.02 0.56 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.45 2jnb s VAL 55 N -0.23 3.22 -0.02 2.92 1.01 -0.94 -3.30 120.40 123.04 2jnb s VAL 55 Ca 0.02 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2jnb s VAL 55 Cb -0.13 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.89 2jnb s VAL 55 CO 0.03 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.60 2jnb s MET 56 N 0.44 0.56 0.53 2.72 0.23 -0.95 -1.82 119.30 121.00 2jnb s MET 56 Ca -0.08 -0.12 -0.22 0.00 -1.03 0.00 0.00 55.69 54.24 2jnb s MET 56 Cb -0.15 -0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 32.51 2jnb s MET 56 CO 0.04 0.01 1.27 0.00 -2.03 0.00 0.00 175.02 174.31 2jnb s ALA 57 N 0.44 2.83 0.27 3.16 0.00 -1.21 -3.85 121.76 123.40 2jnb s ALA 57 Ca -0.05 1.16 0.23 0.00 0.00 0.00 0.00 51.96 53.30 2jnb s ALA 57 Cb -0.09 -3.49 1.05 0.00 0.00 0.00 0.00 23.12 20.59 2jnb s ALA 57 CO -0.00 -1.12 1.90 0.00 0.00 0.00 0.00 175.76 176.54 2jnb h ALA 58 N 1.56 1.15 -0.36 0.00 0.00 -1.91 -3.01 119.26 116.69 2jnb h ALA 58 Ca -0.50 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 53.93 2jnb h ALA 58 Cb 1.28 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 2jnb h ALA 58 CO 0.58 0.29 -0.70 -3.47 0.00 0.00 0.00 179.25 175.95 2jnb n ASP 59 N -3.59 3.15 -4.78 0.00 2.03 -1.26 -4.99 116.55 107.12 2jnb n ASP 59 Ca -0.01 -3.67 -0.36 0.00 0.52 0.00 0.00 54.79 51.27 2jnb n ASP 59 Cb 0.37 -0.43 -0.07 0.00 -0.72 0.00 0.00 41.12 40.26 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jnb s ALA 60 N -3.29 3.74 0.15 -1.67 0.00 -1.14 -5.10 121.76 114.45 2jnb s ALA 60 Ca 0.43 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.77 2jnb s ALA 60 Cb 0.39 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 2jnb s ALA 60 CO -0.02 0.31 -0.11 -1.83 0.00 0.00 0.00 175.76 174.10 2jnb s GLU 61 N -0.09 1.10 0.34 0.00 -1.05 -1.26 -3.79 118.70 113.95 2jnb s GLU 61 Ca 0.10 -1.45 -0.28 0.00 -0.15 0.00 0.00 54.97 53.19 2jnb s GLU 61 Cb -0.11 -0.74 -0.10 0.00 -0.44 0.00 0.00 34.13 32.74 2jnb s GLU 61 CO -0.00 0.11 1.21 -1.25 0.95 0.00 0.00 175.26 176.28 2jnb s PRO 62 N -3.60 4.33 0.05 -4.83 0.04 -1.26 -4.86 135.00 124.88 2jnb s PRO 62 Ca 0.17 2.00 0.16 0.00 0.04 0.00 0.00 61.00 63.37 2jnb s PRO 62 Cb 0.01 -2.98 -0.14 0.00 0.04 0.00 0.00 34.50 31.43 2jnb s PRO 62 CO 0.02 -0.13 0.82 1.25 0.04 0.00 0.00 177.00 179.00 2jnb h LEU 63 N 3.26 0.00 -0.54 -3.56 6.46 -2.00 -3.37 115.31 115.56 2jnb h LEU 63 Ca -0.48 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.35 2jnb h LEU 63 Cb 1.23 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.10 2jnb h LEU 63 CO 0.65 0.61 0.22 -0.33 -0.62 0.00 0.00 178.44 178.97 2jnb h GLU 64 N 0.00 0.40 -0.84 1.25 5.08 -1.99 -1.20 114.58 117.27 2jnb h GLU 64 Ca -0.17 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2jnb h GLU 64 Cb 1.62 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.72 2jnb h GLU 64 CO 0.05 0.26 0.54 0.82 -1.00 0.00 0.00 179.01 179.69 2jnb h ILE 65 N 0.41 0.98 -0.07 3.13 2.04 -2.00 0.37 117.51 122.38 2jnb h ILE 65 Ca 0.26 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2jnb h ILE 65 Cb 0.27 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2jnb h ILE 65 CO -0.25 0.15 0.09 0.40 0.00 0.00 0.00 178.15 178.54 2jnb h ILE 66 N 0.83 0.43 0.00 -0.67 2.04 -1.40 0.21 117.51 118.95 2jnb h ILE 66 Ca 0.38 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.24 2jnb h ILE 66 Cb 0.37 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2jnb h ILE 66 CO -0.15 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 177.89 2jnb n LEU 67 N -3.72 0.28 -0.10 1.44 0.00 0.12 -3.24 117.00 111.77 2jnb n LEU 67 Ca -0.01 0.55 -0.12 0.00 0.00 0.00 0.00 56.01 56.43 2jnb n LEU 67 Cb 0.18 -0.48 -0.04 0.00 0.00 0.00 0.00 43.42 43.08 2jnb n LEU 67 CO 0.26 -0.22 0.69 -0.74 0.00 0.00 0.00 177.39 177.39 2jnb h HIS 68 N 0.00 0.68 0.18 1.96 2.76 -0.66 -3.27 115.15 116.80 2jnb h HIS 68 Ca 0.00 -0.16 0.01 0.00 -2.20 0.00 0.00 60.37 58.02 2jnb h HIS 68 Cb 0.44 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 2jnb h HIS 68 CO 0.00 0.80 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.84 2jnb h LEU 69 N 0.36 -1.54 -8.69 0.26 3.38 -1.69 -3.37 115.31 104.02 2jnb h LEU 69 Ca 0.07 0.16 -0.54 0.00 0.09 0.00 0.00 57.88 57.66 2jnb h LEU 69 Cb 0.60 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 2jnb h LEU 69 CO 0.04 -0.57 1.28 -2.16 0.09 0.00 0.00 178.44 177.11 2jnb s PRO 70 N -5.80 3.05 -0.14 1.13 0.04 -1.23 -4.87 135.00 127.18 2jnb s PRO 70 Ca -0.17 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 61.75 2jnb s PRO 70 Cb 0.06 -4.26 -0.08 0.00 0.04 0.00 0.00 34.50 30.25 2jnb s PRO 70 CO 0.61 -2.21 0.11 -0.07 0.04 0.00 0.00 177.00 175.48 2jnb h LEU 71 N 14.72 0.00 0.00 -3.56 3.38 -1.82 -3.47 115.31 124.56 2jnb h LEU 71 Ca -0.29 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2jnb h LEU 71 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2jnb h LEU 71 CO 1.12 0.83 0.00 0.18 0.09 0.00 0.00 178.44 180.66 2jnb n LEU 72 N -4.64 0.00 0.00 1.67 4.77 -1.26 -5.16 117.00 112.38 2jnb n LEU 72 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2jnb n LEU 72 Cb 0.28 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2jnb n LEU 72 CO 0.12 -0.31 0.00 0.00 -1.33 0.00 0.00 177.39 175.87 2jnb h GLU 74 N 0.00 0.10 -0.35 0.00 9.09 -1.95 0.27 114.58 121.74 2jnb h GLU 74 Ca 0.00 -0.01 0.07 0.00 0.05 0.00 0.00 59.36 59.48 2jnb h GLU 74 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.06 2jnb h GLU 74 CO 0.00 0.07 0.24 -0.44 0.05 0.00 0.00 179.01 178.93 2jnb h ASP 75 N 0.11 0.14 -0.38 3.06 3.32 -1.96 0.24 116.42 120.95 2jnb h ASP 75 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2jnb h ASP 75 Cb 1.46 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2jnb h ASP 75 CO -0.05 0.09 0.00 1.17 -1.72 0.00 0.00 179.24 178.73 2jnb n LYS 76 N -4.47 2.36 -2.46 3.56 3.00 0.93 -4.96 118.16 116.13 2jnb n LYS 76 Ca 0.05 -1.57 -0.02 0.00 -0.00 0.00 0.00 58.31 56.76 2jnb n LYS 76 Cb 0.31 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.82 2jnb n LYS 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jnb n ASN 77 N 0.59 -6.54 -3.39 3.14 5.15 0.86 -4.97 115.26 110.10 2jnb n ASN 77 Ca 0.14 0.82 -0.20 0.00 -0.60 0.00 0.00 54.58 54.74 2jnb n ASN 77 Cb 0.49 -4.30 -0.09 0.00 -0.53 0.00 0.00 39.78 35.35 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jnb s VAL 78 N -1.62 -0.20 0.98 3.44 1.01 -1.26 -5.00 120.40 117.75 2jnb s VAL 78 Ca 0.07 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 2jnb s VAL 78 Cb -0.02 -0.79 0.17 0.00 0.00 0.00 0.00 36.38 35.74 2jnb s VAL 78 CO 0.59 -0.70 1.09 -2.16 0.00 0.00 0.00 175.10 173.92 2jnb s PRO 79 N 1.30 0.62 -0.23 2.72 0.04 -1.26 -4.68 135.00 133.51 2jnb s PRO 79 Ca 0.17 0.59 -0.31 0.00 0.04 0.00 0.00 61.00 61.49 2jnb s PRO 79 Cb -0.18 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.77 2jnb s PRO 79 CO -0.01 -2.62 1.23 1.52 0.04 0.00 0.00 177.00 177.16 2jnb s TYR 80 N -2.96 -0.14 -0.28 0.56 -0.85 -1.25 -4.56 117.35 107.86 2jnb s TYR 80 Ca 0.65 0.21 -0.21 0.00 -0.52 0.00 0.00 57.07 57.21 2jnb s TYR 80 Cb -0.18 0.49 0.13 0.00 0.38 0.00 0.00 41.96 42.77 2jnb s TYR 80 CO 0.57 -0.15 0.97 0.54 -1.52 0.00 0.00 175.55 175.96 2jnb s VAL 81 N -1.36 0.00 -0.20 -3.49 0.11 -1.21 -4.94 120.40 109.30 2jnb s VAL 81 Ca 0.06 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.04 2jnb s VAL 81 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2jnb s VAL 81 CO -0.05 0.00 0.06 -0.36 -3.33 0.00 0.00 175.10 171.43 2jnb s PHE 82 N 0.79 3.18 0.01 1.54 0.08 -1.24 -2.24 117.98 120.10 2jnb s PHE 82 Ca -0.03 -0.08 0.05 0.00 0.12 0.00 0.00 56.93 56.98 2jnb s PHE 82 Cb -0.04 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2jnb s PHE 82 CO -0.11 -0.02 -0.12 0.14 -0.10 0.00 0.00 175.22 175.02 2jnb s VAL 83 N 0.79 3.27 -0.49 -0.44 -7.23 -1.25 -1.79 120.40 113.27 2jnb s VAL 83 Ca 0.03 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.26 2jnb s VAL 83 Cb -0.14 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2jnb s VAL 83 CO 0.02 0.41 2.95 -1.14 -0.31 0.00 0.00 175.10 177.03 2jnb n ARG 84 N 1.67 2.60 -2.92 4.82 0.63 -0.82 -3.85 116.66 118.80 2jnb n ARG 84 Ca -0.16 -2.14 0.03 0.00 -0.92 0.00 0.00 57.85 54.67 2jnb n ARG 84 Cb 0.52 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.25 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2jnb s SER 85 N 0.83 -0.31 0.02 6.15 0.01 -1.26 -4.43 113.70 114.71 2jnb s SER 85 Ca 0.61 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.82 2jnb s SER 85 Cb 0.34 0.72 -0.25 0.00 0.21 0.00 0.00 66.02 67.04 2jnb s SER 85 CO -0.15 -0.04 0.92 0.07 0.41 0.00 0.00 173.24 174.44 2jnb h LYS 86 N 6.13 0.12 -0.18 12.44 2.10 -1.95 -3.22 116.57 132.01 2jnb h LYS 86 Ca -0.06 -0.21 -0.11 0.00 -2.00 0.00 0.00 60.65 58.26 2jnb h LYS 86 Cb 1.21 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2jnb h LYS 86 CO -0.09 0.94 -0.33 1.96 -2.00 0.00 0.00 179.45 179.93 2jnb h GLN 87 N 0.03 0.53 -0.33 0.07 4.20 -1.96 -3.00 115.11 114.66 2jnb h GLN 87 Ca -0.19 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 2jnb h GLN 87 Cb 1.95 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.75 2jnb h GLN 87 CO 0.13 0.94 0.12 0.00 -0.67 0.00 0.00 178.83 179.35 2jnb h ALA 88 N 0.59 1.59 -0.26 3.87 0.00 -1.98 -2.67 119.26 120.40 2jnb h ALA 88 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2jnb h ALA 88 Cb 0.92 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jnb h ALA 88 CO 0.07 0.32 0.07 1.25 0.00 0.00 0.00 179.25 180.97 2jnb h LEU 89 N 0.46 0.39 -1.44 0.00 5.85 -1.55 -2.72 115.31 116.31 2jnb h LEU 89 Ca 0.11 -0.22 0.15 0.00 0.84 0.00 0.00 57.88 58.77 2jnb h LEU 89 Cb 0.12 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 2jnb h LEU 89 CO -0.01 0.51 0.55 1.23 -0.34 0.00 0.00 178.44 180.38 2jnb h GLY 90 N 0.26 0.96 1.97 3.75 0.00 -1.33 0.81 103.07 109.48 2jnb h GLY 90 Ca 0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2jnb h GLY 90 CO -0.00 0.06 -0.62 -0.09 0.00 0.00 0.00 176.54 175.89 2jnb h ARG 91 N 0.54 0.03 -0.21 4.80 2.43 -1.44 -0.73 114.38 119.80 2jnb h ARG 91 Ca 0.42 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.47 2jnb h ARG 91 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2jnb h ARG 91 CO -0.17 0.64 -0.28 0.00 -1.51 0.00 0.00 179.97 178.66 2jnb h ALA 92 N 1.35 1.13 0.00 2.80 0.00 -0.55 -3.01 119.26 120.97 2jnb h ALA 92 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.34 2jnb h ALA 92 Cb 1.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2jnb h ALA 92 CO 0.08 0.55 -1.38 0.00 0.00 0.00 0.00 179.25 178.51 2jnb n GLY 94 N 1.43 0.73 3.11 0.00 0.00 -0.36 -4.97 105.19 105.13 2jnb n GLY 94 Ca -0.10 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 2jnb n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jnb s VAL 95 N -2.26 0.98 0.34 1.61 1.01 -0.72 -5.03 120.40 116.33 2jnb s VAL 95 Ca 0.00 -0.87 0.17 0.00 0.00 0.00 0.00 61.98 61.28 2jnb s VAL 95 Cb 0.00 -0.89 0.15 0.00 0.00 0.00 0.00 36.38 35.64 2jnb s VAL 95 CO 0.00 0.02 1.87 0.77 0.00 0.00 0.00 175.10 177.76 2jnb h SER 96 N 5.11 0.00 -2.17 3.32 4.64 -2.00 -3.42 113.55 119.04 2jnb h SER 96 Ca -0.36 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.40 2jnb h SER 96 Cb 1.18 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 2jnb h SER 96 CO 0.45 0.31 -0.63 -0.13 -0.87 0.00 0.00 176.83 175.96 2jnb s ARG 97 N -4.08 2.33 0.81 4.77 0.52 -1.26 -5.10 118.95 116.94 2jnb s ARG 97 Ca -0.02 -1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 53.66 2jnb s ARG 97 Cb 0.13 -2.18 0.08 0.00 0.52 0.00 0.00 34.95 33.51 2jnb s ARG 97 CO 0.68 0.34 1.09 -1.25 0.02 0.00 0.00 175.30 176.18 2jnb s PRO 98 N -3.70 1.92 0.11 3.54 0.04 -1.26 -4.80 135.00 130.85 2jnb s PRO 98 Ca 0.32 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.51 2jnb s PRO 98 Cb -0.06 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2jnb s PRO 98 CO 0.20 -1.85 -0.18 0.08 0.04 0.00 0.00 177.00 175.29 2jnb s VAL 99 N -2.91 2.83 -0.18 -0.36 1.01 -1.26 -5.01 120.40 114.51 2jnb s VAL 99 Ca 0.62 -1.48 0.12 0.00 0.00 0.00 0.00 61.98 61.23 2jnb s VAL 99 Cb -0.17 -2.29 -0.19 0.00 0.00 0.00 0.00 36.38 33.73 2jnb s VAL 99 CO 0.56 0.12 -0.00 2.30 0.00 0.00 0.00 175.10 178.08 2jnb n ILE 100 N 0.86 1.18 -3.52 2.22 -5.35 -1.26 -4.55 119.36 108.94 2jnb n ILE 100 Ca -0.16 -0.66 -0.03 0.00 -0.27 0.00 0.00 62.75 61.64 2jnb n ILE 100 Cb 0.53 -0.73 -0.05 0.00 -1.74 0.00 0.00 39.64 37.64 2jnb n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jnb s ALA 101 N -2.42 -1.77 0.11 -1.28 0.00 -1.26 -3.32 121.76 111.83 2jnb s ALA 101 Ca -0.14 1.90 0.10 0.00 0.00 0.00 0.00 51.96 53.82 2jnb s ALA 101 Cb 0.06 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2jnb s ALA 101 CO 0.65 -1.00 -0.23 0.00 0.00 0.00 0.00 175.76 175.17 2jnb s SER 103 N -2.00 6.40 -0.24 0.00 1.04 -0.11 -2.23 113.70 116.57 2jnb s SER 103 Ca 0.15 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.96 2jnb s SER 103 Cb -0.10 -2.00 0.06 0.00 0.10 0.00 0.00 66.02 64.08 2jnb s SER 103 CO 0.07 0.12 -0.04 -0.69 0.98 0.00 0.00 173.24 173.68 2jnb s VAL 104 N -1.58 1.51 -0.20 5.02 1.01 -0.96 -3.97 120.40 121.24 2jnb s VAL 104 Ca 0.37 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 2jnb s VAL 104 Cb -0.13 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2jnb s VAL 104 CO 0.27 -0.14 0.32 0.42 0.00 0.00 0.00 175.10 175.96 2jnb s THR 105 N 1.39 5.26 0.15 3.92 -4.23 -1.26 -0.53 115.64 120.35 2jnb s THR 105 Ca -0.05 0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 60.71 2jnb s THR 105 Cb -0.19 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 69.93 2jnb s THR 105 CO -0.07 0.31 1.12 -0.51 -0.54 0.00 0.00 174.62 174.93 2jnb s ILE 106 N 1.02 3.92 -0.39 2.99 2.07 -1.25 -4.97 121.20 124.60 2jnb s ILE 106 Ca 0.16 1.59 -0.14 0.00 -1.41 0.00 0.00 60.65 60.84 2jnb s ILE 106 Cb -0.14 -4.01 0.01 0.00 0.13 0.00 0.00 42.46 38.44 2jnb s ILE 106 CO 0.06 0.24 0.28 -1.59 -1.91 0.00 0.00 174.94 172.02 2jnb s LYS 107 N -0.06 3.16 -0.17 3.50 -2.85 -1.26 -5.06 119.74 117.00 2jnb s LYS 107 Ca 0.51 -0.88 -0.22 0.00 -1.00 0.00 0.00 55.97 54.39 2jnb s LYS 107 Cb -0.29 -3.92 -0.03 0.00 -2.06 0.00 0.00 37.83 31.53 2jnb s LYS 107 CO 0.34 -0.64 0.67 -1.21 0.10 0.00 0.00 175.35 174.60 2jnb s GLU 108 N 1.71 4.27 0.00 1.78 8.01 -1.26 -3.97 118.70 129.24 2jnb s GLU 108 Ca 0.06 0.72 0.00 0.00 0.01 0.00 0.00 54.97 55.76 2jnb s GLU 108 Cb -0.18 -3.55 0.00 0.00 -4.31 0.00 0.00 34.13 26.09 2jnb s GLU 108 CO 0.10 -0.19 0.00 0.41 0.01 0.00 0.00 175.26 175.59 2jnb n GLY 109 N 3.61 1.63 3.61 -1.39 0.00 -1.26 -5.12 105.19 106.27 2jnb n GLY 109 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2jnb n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnb s SER 110 N -1.09 3.92 0.47 1.61 0.01 -1.26 -5.03 113.70 112.34 2jnb s SER 110 Ca 0.00 -1.25 0.25 0.00 1.31 0.00 0.00 55.95 56.25 2jnb s SER 110 Cb 0.00 -0.41 1.16 0.00 0.21 0.00 0.00 66.02 66.98 2jnb s SER 110 CO 0.00 -0.37 1.94 0.06 0.41 0.00 0.00 173.24 175.29 2jnb h GLN 111 N 1.81 0.00 -0.81 12.44 3.07 -2.00 -2.83 115.11 126.80 2jnb h GLN 111 Ca -0.43 0.00 0.23 0.00 0.09 0.00 0.00 58.65 58.54 2jnb h GLN 111 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.77 2jnb h GLN 111 CO 0.75 0.19 0.58 1.25 0.09 0.00 0.00 178.83 181.70 2jnb h LEU 112 N 0.00 0.01 -2.06 0.06 6.46 -1.96 0.23 115.31 118.06 2jnb h LEU 112 Ca -0.00 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.87 2jnb h LEU 112 Cb 0.54 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 2jnb h LEU 112 CO 0.03 0.00 0.35 0.07 -0.62 0.00 0.00 178.44 178.27 2jnb h LYS 113 N 0.01 0.00 -0.09 1.25 5.09 -1.62 -0.48 116.57 120.72 2jnb h LYS 113 Ca 0.38 0.00 -0.16 0.00 0.09 0.00 0.00 60.65 60.96 2jnb h LYS 113 Cb 1.54 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.87 2jnb h LYS 113 CO -0.01 0.00 -0.58 0.37 -2.09 0.00 0.00 179.45 177.15 2jnb h GLN 114 N 0.00 0.55 0.06 0.07 5.75 -0.76 -3.05 115.11 117.73 2jnb h GLN 114 Ca 0.18 -0.47 0.02 0.00 -0.15 0.00 0.00 58.65 58.23 2jnb h GLN 114 Cb 0.88 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.49 2jnb h GLN 114 CO -0.00 1.10 -0.42 1.96 -2.65 0.00 0.00 178.83 178.82 2jnb h GLN 115 N 0.16 -0.59 -0.57 1.69 1.08 -1.18 -0.63 115.11 115.07 2jnb h GLN 115 Ca -0.05 0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2jnb h GLN 115 Cb 1.23 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.76 2jnb h GLN 115 CO 0.12 -0.39 0.39 0.82 -0.95 0.00 0.00 178.83 178.81 2jnb h ILE 116 N -0.61 0.85 0.00 2.54 2.04 -1.63 0.15 117.51 120.85 2jnb h ILE 116 Ca 0.03 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2jnb h ILE 116 Cb 0.67 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2jnb h ILE 116 CO -0.28 0.05 -0.13 -0.61 0.00 0.00 0.00 178.15 177.18 2jnb h GLN 117 N 0.29 0.00 0.04 2.37 4.15 -1.01 -1.18 115.11 119.77 2jnb h GLN 117 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 2jnb h GLN 117 Cb 0.67 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 2jnb h GLN 117 CO -0.06 0.13 -0.02 1.03 -1.93 0.00 0.00 178.83 177.98 2jnb h SER 118 N 0.00 -0.05 0.32 -0.69 0.87 -0.12 -3.17 113.55 110.71 2jnb h SER 118 Ca -0.00 -0.62 -0.05 0.00 -1.23 0.00 0.00 61.79 59.89 2jnb h SER 118 Cb 0.35 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2jnb h SER 118 CO 0.02 0.64 -0.24 -0.29 -0.53 0.00 0.00 176.83 176.42 2jnb h ILE 119 N -0.79 1.03 -0.56 2.23 2.10 -1.40 -2.57 117.51 117.54 2jnb h ILE 119 Ca -0.01 -0.87 -0.04 0.00 1.08 0.00 0.00 64.86 65.03 2jnb h ILE 119 Cb 0.66 1.49 -0.03 0.00 -1.09 0.00 0.00 36.82 37.85 2jnb h ILE 119 CO 0.01 0.24 0.21 -0.61 -1.08 0.00 0.00 178.15 176.91 2jnb h GLN 120 N 0.00 0.82 -0.54 2.19 4.15 -1.26 -2.56 115.11 117.91 2jnb h GLN 120 Ca -0.00 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.16 2jnb h GLN 120 Cb 0.47 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2jnb h GLN 120 CO 0.03 0.69 -0.13 1.96 -1.93 0.00 0.00 178.83 179.45 2jnb h GLN 121 N 0.81 1.04 -0.17 1.69 1.08 -1.43 0.20 115.11 118.33 2jnb h GLN 121 Ca 0.19 -0.40 0.01 0.00 -1.45 0.00 0.00 58.65 57.00 2jnb h GLN 121 Cb 0.19 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2jnb h GLN 121 CO -0.01 1.09 0.09 0.77 -0.95 0.00 0.00 178.83 179.81 2jnb h SER 122 N 0.91 0.13 -0.13 1.46 0.02 -1.44 0.24 113.55 114.75 2jnb h SER 122 Ca 0.14 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.90 2jnb h SER 122 Cb 0.71 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.24 2jnb h SER 122 CO 0.05 0.10 -0.67 0.40 -1.14 0.00 0.00 176.83 175.58 2jnb h ILE 123 N 0.19 1.31 -0.23 3.27 2.04 -1.43 -3.10 117.51 119.56 2jnb h ILE 123 Ca 0.07 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.02 2jnb h ILE 123 Cb 0.01 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 2jnb h ILE 123 CO -0.05 0.59 0.15 -0.33 0.00 0.00 0.00 178.15 178.52 2jnb h GLU 124 N 0.36 0.30 -0.71 2.37 4.39 -0.45 0.21 114.58 121.05 2jnb h GLU 124 Ca -0.05 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.73 2jnb h GLU 124 Cb 1.30 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.81 2jnb h GLU 124 CO 0.14 0.20 0.35 0.00 -1.16 0.00 0.00 179.01 178.54 2jnb h ARG 125 N 0.31 0.58 0.00 2.33 2.47 -0.58 0.28 114.38 119.77 2jnb h ARG 125 Ca 0.08 -0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.67 2jnb h ARG 125 Cb -0.03 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 2jnb h ARG 125 CO -0.02 0.38 -0.47 -0.07 0.56 0.00 0.00 179.97 180.35 2jnb h LEU 126 N 0.59 0.00 -0.30 3.04 -0.00 -1.39 -3.08 115.31 114.18 2jnb h LEU 126 Ca 0.35 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.11 2jnb h LEU 126 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 2jnb h LEU 126 CO -0.27 0.47 -0.61 -0.07 -0.00 0.00 0.00 178.44 177.96 2jnb h LEU 127 N 0.00 0.00 0.00 1.67 -0.00 0.12 -3.51 115.31 113.59 2jnb h LEU 127 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jnb h LEU 127 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 2jnb h LEU 127 CO 0.06 0.61 0.00 0.52 -0.00 0.00 0.00 178.44 179.63