#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnb s THR 2 N 0.00 0.64 -0.30 2.03 2.01 -1.26 -5.09 115.64 113.67 2jnb s THR 2 Ca 0.00 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 2jnb s THR 2 Cb 0.00 -1.28 0.15 0.00 0.01 0.00 0.00 72.50 71.38 2jnb s THR 2 CO 0.00 -0.41 0.78 -1.61 -0.69 0.00 0.00 174.62 172.69 2jnb s GLU 3 N 1.78 0.45 -0.12 4.92 0.41 -1.26 -5.13 118.70 119.75 2jnb s GLU 3 Ca 0.03 1.07 -0.29 0.00 -0.41 0.00 0.00 54.97 55.36 2jnb s GLU 3 Cb -0.17 0.63 -0.04 0.00 -1.78 0.00 0.00 34.13 32.77 2jnb s GLU 3 CO -0.17 -0.23 1.53 0.00 -0.49 0.00 0.00 175.26 175.90 2jnb s ALA 4 N 2.75 3.56 -0.30 5.21 0.00 -1.26 -4.91 121.76 126.82 2jnb s ALA 4 Ca -0.00 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 2jnb s ALA 4 Cb -0.10 -3.73 0.19 0.00 0.00 0.00 0.00 23.12 19.47 2jnb s ALA 4 CO -0.18 -1.44 1.15 -0.51 0.00 0.00 0.00 175.76 174.78 2jnb s ASP 5 N 3.11 -0.06 0.14 0.00 1.01 -1.26 -5.17 116.67 114.43 2jnb s ASP 5 Ca 0.67 -0.02 0.09 0.00 0.71 0.00 0.00 52.55 54.01 2jnb s ASP 5 Cb -0.28 0.45 -0.04 0.00 1.01 0.00 0.00 42.92 44.06 2jnb s ASP 5 CO 0.25 -0.01 -0.22 0.68 0.21 0.00 0.00 175.17 176.08 2jnb s VAL 6 N 2.38 1.95 0.16 -1.27 -7.23 -1.26 -5.15 120.40 109.97 2jnb s VAL 6 Ca 0.21 -1.76 -0.21 0.00 -1.81 0.00 0.00 61.98 58.41 2jnb s VAL 6 Cb 0.03 -1.80 0.06 0.00 0.56 0.00 0.00 36.38 35.23 2jnb s VAL 6 CO -0.19 -0.11 0.56 0.20 -0.31 0.00 0.00 175.10 175.26 2jnb s ASN 7 N -2.25 -0.48 0.12 4.85 0.01 -1.26 -5.06 114.94 110.87 2jnb s ASN 7 Ca 0.12 -0.11 -0.13 0.00 -0.71 0.00 0.00 52.86 52.04 2jnb s ASN 7 Cb -0.09 0.58 -0.06 0.00 0.41 0.00 0.00 41.25 42.09 2jnb s ASN 7 CO 0.06 -0.96 1.45 1.55 -1.51 0.00 0.00 177.10 177.69 2jnb h PRO 8 N 2.08 0.83 -0.15 -0.60 0.13 -1.99 -2.97 132.00 129.35 2jnb h PRO 8 Ca -0.33 -0.44 0.04 0.00 -0.87 0.00 0.00 66.00 64.40 2jnb h PRO 8 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2jnb h PRO 8 CO 0.39 1.07 0.19 1.57 -0.23 0.00 0.00 178.00 181.00 2jnb h LYS 9 N 0.62 0.00 -2.34 0.86 2.10 -1.97 -3.12 116.57 112.73 2jnb h LYS 9 Ca 0.06 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.12 2jnb h LYS 9 Cb 0.92 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 31.84 2jnb h LYS 9 CO 0.08 0.00 -0.81 0.00 -2.00 0.00 0.00 179.45 176.72 2jnb n ALA 10 N -2.27 3.25 -3.17 0.07 0.00 -1.12 -4.35 120.51 112.92 2jnb n ALA 10 Ca 0.01 -4.03 0.03 0.00 0.00 0.00 0.00 53.44 49.45 2jnb n ALA 10 Cb 0.30 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.88 2jnb n ALA 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jnb s TYR 11 N -1.46 -1.78 1.01 0.00 5.04 -1.18 -3.74 117.35 115.24 2jnb s TYR 11 Ca 0.34 0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 55.59 2jnb s TYR 11 Cb 0.10 0.31 0.19 0.00 0.35 0.00 0.00 41.96 42.92 2jnb s TYR 11 CO -0.10 -1.10 1.09 -1.25 -1.34 0.00 0.00 175.55 172.85 2jnb s PRO 12 N 2.44 0.35 -0.12 4.97 0.04 -1.26 -4.99 135.00 136.42 2jnb s PRO 12 Ca 0.13 0.49 -0.00 0.00 0.04 0.00 0.00 61.00 61.66 2jnb s PRO 12 Cb -0.07 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2jnb s PRO 12 CO -0.18 -2.78 -0.11 -1.17 0.04 0.00 0.00 177.00 172.79 2jnb s LEU 13 N -6.48 2.84 -0.27 -3.56 2.96 -1.25 -4.30 118.68 108.62 2jnb s LEU 13 Ca 0.65 -0.26 -0.24 0.00 -0.22 0.00 0.00 54.13 54.07 2jnb s LEU 13 Cb -0.19 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 2jnb s LEU 13 CO 0.58 0.20 0.82 0.00 -1.32 0.00 0.00 176.35 176.62 2jnb s ALA 14 N 0.16 3.60 0.78 5.97 0.00 0.91 -4.96 121.76 128.23 2jnb s ALA 14 Ca -0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 2jnb s ALA 14 Cb -0.15 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 19.80 2jnb s ALA 14 CO 0.04 -1.03 1.10 0.16 0.00 0.00 0.00 175.76 176.04 2jnb s ASP 15 N 1.45 4.20 0.23 0.00 1.47 -1.26 -3.58 116.67 119.16 2jnb s ASP 15 Ca 0.34 0.19 -0.08 0.00 1.18 0.00 0.00 52.55 54.18 2jnb s ASP 15 Cb -0.15 -0.59 0.20 0.00 -0.34 0.00 0.00 42.92 42.04 2jnb s ASP 15 CO 0.09 -2.00 1.86 0.00 0.68 0.00 0.00 175.17 175.80 2jnb h ALA 16 N -0.89 1.12 -0.97 2.11 0.00 -1.97 0.17 119.26 118.83 2jnb h ALA 16 Ca -0.42 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 54.56 2jnb h ALA 16 Cb 1.28 -0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 2jnb h ALA 16 CO 0.49 0.60 0.61 1.25 0.00 0.00 0.00 179.25 182.20 2jnb h HIS 17 N 1.21 0.88 0.13 0.00 6.17 -2.01 0.23 115.15 121.77 2jnb h HIS 17 Ca 0.31 0.03 -0.32 0.00 0.71 0.00 0.00 60.37 61.10 2jnb h HIS 17 Cb -0.01 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.64 2jnb h HIS 17 CO 0.00 0.23 -1.66 -0.07 0.71 0.00 0.00 177.93 177.14 2jnb h LEU 18 N 0.66 0.43 -1.73 0.26 -0.00 -1.80 -3.35 115.31 109.78 2jnb h LEU 18 Ca 0.53 -0.88 0.07 0.00 -0.00 0.00 0.00 57.88 57.59 2jnb h LEU 18 Cb 0.95 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.44 2jnb h LEU 18 CO -0.29 1.73 0.31 0.74 -0.00 0.00 0.00 178.44 180.93 2jnb h THR 19 N -0.13 0.94 -0.36 0.22 2.02 -0.05 -2.27 112.91 113.28 2jnb h THR 19 Ca -0.35 -0.11 0.08 0.00 0.77 0.00 0.00 66.41 66.79 2jnb h THR 19 Cb 1.90 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.82 2jnb h THR 19 CO 0.08 0.06 -0.14 0.50 0.37 0.00 0.00 175.52 176.39 2jnb h LYS 20 N 0.33 -0.07 -0.09 6.66 1.63 -0.70 0.21 116.57 124.53 2jnb h LYS 20 Ca 0.20 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.89 2jnb h LYS 20 Cb 0.38 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2jnb h LYS 20 CO -0.05 -0.04 -0.45 0.87 -3.45 0.00 0.00 179.45 176.33 2jnb h LYS 21 N -0.07 0.22 -0.06 1.90 6.56 -1.61 -3.15 116.57 120.35 2jnb h LYS 21 Ca 0.18 -0.11 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2jnb h LYS 21 Cb 0.34 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2jnb h LYS 21 CO -0.41 0.63 0.04 -0.07 -2.06 0.00 0.00 179.45 177.58 2jnb h LEU 22 N 0.18 0.08 -1.49 2.94 3.38 -0.80 -1.27 115.31 118.33 2jnb h LEU 22 Ca 0.01 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.06 2jnb h LEU 22 Cb 0.87 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2jnb h LEU 22 CO 0.07 0.12 0.52 -0.07 0.09 0.00 0.00 178.44 179.17 2jnb h LEU 23 N 0.03 0.48 -0.47 1.67 4.07 -0.98 0.14 115.31 120.24 2jnb h LEU 23 Ca 0.02 0.03 -0.16 0.00 0.08 0.00 0.00 57.88 57.85 2jnb h LEU 23 Cb 0.06 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 2jnb h LEU 23 CO -0.00 0.25 -0.77 -0.78 -1.08 0.00 0.00 178.44 176.06 2jnb h ASP 24 N 0.51 0.01 -0.15 -0.43 1.82 -1.43 -3.24 116.42 113.51 2jnb h ASP 24 Ca 0.39 -0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.91 2jnb h ASP 24 Cb 0.78 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2jnb h ASP 24 CO -0.14 0.77 -0.34 -0.07 -1.61 0.00 0.00 179.24 177.85 2jnb h LEU 25 N 0.00 0.56 -0.71 2.28 -0.00 0.37 -3.16 115.31 114.66 2jnb h LEU 25 Ca -0.01 -0.57 0.13 0.00 -0.00 0.00 0.00 57.88 57.43 2jnb h LEU 25 Cb 1.35 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 41.76 2jnb h LEU 25 CO 0.10 1.03 0.26 0.58 -0.00 0.00 0.00 178.44 180.40 2jnb h VAL 26 N 0.11 0.67 -0.05 1.22 2.07 -1.17 0.19 116.25 119.29 2jnb h VAL 26 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2jnb h VAL 26 Cb 0.95 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2jnb h VAL 26 CO 0.08 0.07 -0.04 -0.61 0.02 0.00 0.00 177.57 177.09 2jnb h GLN 27 N 0.41 0.07 -0.01 1.57 4.15 -1.58 -1.68 115.11 118.04 2jnb h GLN 27 Ca 0.38 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.62 2jnb h GLN 27 Cb 0.56 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2jnb h GLN 27 CO -0.39 0.12 -0.77 1.96 -1.93 0.00 0.00 178.83 177.82 2jnb h GLN 28 N 0.07 0.12 0.17 1.69 1.08 -0.64 -2.46 115.11 115.14 2jnb h GLN 28 Ca 0.02 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2jnb h GLN 28 Cb 0.12 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2jnb h GLN 28 CO 0.01 0.83 -0.08 1.03 -0.95 0.00 0.00 178.83 179.66 2jnb h SER 29 N 0.07 -0.19 0.57 1.46 0.87 -0.31 -2.61 113.55 113.42 2jnb h SER 29 Ca -0.02 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 2jnb h SER 29 Cb 1.35 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 2jnb h SER 29 CO 0.11 0.00 -0.33 0.00 -0.53 0.00 0.00 176.83 176.09 2jnb h ASN 31 N 0.00 0.00 -0.83 0.00 -0.73 -1.18 -2.15 115.58 110.68 2jnb h ASN 31 Ca -0.00 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.85 2jnb h ASN 31 Cb 0.70 0.00 -0.19 0.00 0.27 0.00 0.00 38.32 39.10 2jnb h ASN 31 CO 0.04 0.19 0.41 0.00 -0.37 0.00 0.00 177.43 177.69 2jnb n TYR 32 N -3.75 2.69 -3.58 0.67 4.19 -0.99 -4.90 117.16 111.49 2jnb n TYR 32 Ca -0.02 -1.42 -0.22 0.00 3.31 0.00 0.00 57.90 59.56 2jnb n TYR 32 Cb 0.30 -0.78 0.07 0.00 0.49 0.00 0.00 39.34 39.42 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 -0.47 -6.94 -3.78 2.98 5.02 -0.81 -5.00 118.16 109.15 2jnb n LYS 33 Ca 0.47 0.79 -0.13 0.00 -2.02 0.00 0.00 58.31 57.43 2jnb n LYS 33 Cb 1.49 -5.77 -0.14 0.00 -0.02 0.00 0.00 35.03 30.60 2jnb n LYS 33 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jnb s GLN 34 N -5.98 0.12 -0.13 1.97 -0.21 -0.65 -5.02 119.66 109.76 2jnb s GLN 34 Ca 0.33 0.28 -0.30 0.00 0.02 0.00 0.00 55.36 55.69 2jnb s GLN 34 Cb -0.15 -0.07 0.12 0.00 1.00 0.00 0.00 33.01 33.92 2jnb s GLN 34 CO 0.75 -0.10 0.99 -1.17 -2.12 0.00 0.00 175.29 173.64 2jnb s LEU 35 N 0.68 -0.35 -0.20 2.90 0.20 -1.26 -1.58 118.68 119.07 2jnb s LEU 35 Ca -0.05 0.30 -0.04 0.00 0.69 0.00 0.00 54.13 55.02 2jnb s LEU 35 Cb -0.07 1.86 0.09 0.00 -0.43 0.00 0.00 46.19 47.64 2jnb s LEU 35 CO -0.03 -0.39 0.20 -0.13 -0.29 0.00 0.00 176.35 175.71 2jnb s ARG 36 N -1.58 0.17 -0.77 1.98 3.00 -1.18 -5.00 118.95 115.57 2jnb s ARG 36 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 55.73 55.89 2jnb s ARG 36 Cb -0.01 -1.31 0.19 0.00 0.00 0.00 0.00 34.95 33.82 2jnb s ARG 36 CO -0.01 -0.67 0.60 0.15 0.00 0.00 0.00 175.30 175.37 2jnb s LYS 37 N 2.29 2.81 -0.29 3.54 3.01 -1.26 -1.05 119.74 128.79 2jnb s LYS 37 Ca 0.06 -3.18 -0.22 0.00 -1.01 0.00 0.00 55.97 51.62 2jnb s LYS 37 Cb -0.16 -3.69 0.16 0.00 -1.01 0.00 0.00 37.83 33.13 2jnb s LYS 37 CO -0.12 -1.25 1.18 0.20 0.51 0.00 0.00 175.35 175.87 2jnb s GLY 38 N -0.56 0.14 0.18 -3.33 0.00 -1.03 -5.01 107.32 97.71 2jnb s GLY 38 Ca 0.25 3.18 0.10 0.00 0.00 0.00 0.00 44.72 48.25 2jnb s GLY 38 CO -0.12 2.12 1.38 0.00 0.00 0.00 0.00 173.10 176.48 2jnb h ALA 39 N 4.31 0.53 0.05 3.20 0.00 -1.94 -3.18 119.26 122.23 2jnb h ALA 39 Ca -0.28 -0.75 -0.21 0.00 0.00 0.00 0.00 54.91 53.67 2jnb h ALA 39 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jnb h ALA 39 CO 0.16 1.03 -1.11 -0.97 0.00 0.00 0.00 179.25 178.36 2jnb h ASN 40 N 0.00 0.18 -0.65 0.00 -0.73 -1.91 -3.34 115.58 109.12 2jnb h ASN 40 Ca -0.01 -0.76 0.19 0.00 1.87 0.00 0.00 56.30 57.59 2jnb h ASN 40 Cb 1.56 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 40.07 2jnb h ASN 40 CO 0.11 1.46 0.48 -0.33 -0.37 0.00 0.00 177.43 178.79 2jnb h GLU 41 N -0.67 0.00 -0.09 6.67 3.07 -1.96 0.24 114.58 121.84 2jnb h GLU 41 Ca -0.27 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.62 2jnb h GLU 41 Cb 1.47 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.37 2jnb h GLU 41 CO -0.05 0.00 0.11 0.00 -1.40 0.00 0.00 179.01 177.67 2jnb h ALA 42 N 1.64 1.63 0.00 3.43 0.00 -1.67 0.65 119.26 124.94 2jnb h ALA 42 Ca 0.31 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2jnb h ALA 42 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2jnb h ALA 42 CO -0.00 -0.15 -0.48 1.79 0.00 0.00 0.00 179.25 180.40 2jnb h THR 43 N 0.00 0.92 0.17 0.00 1.35 -0.73 -3.24 112.91 111.38 2jnb h THR 43 Ca 0.04 -2.02 -0.30 0.00 -0.55 0.00 0.00 66.41 63.58 2jnb h THR 43 Cb 0.26 2.26 0.02 0.00 -1.73 0.00 0.00 68.15 68.95 2jnb h THR 43 CO -0.00 0.47 -1.32 0.11 -0.25 0.00 0.00 175.52 174.53 2jnb h LYS 44 N 0.00 0.37 0.15 4.72 1.79 -0.97 -2.85 116.57 119.78 2jnb h LYS 44 Ca -0.00 -0.63 0.01 0.00 -2.18 0.00 0.00 60.65 57.85 2jnb h LYS 44 Cb 1.22 0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 32.06 2jnb h LYS 44 CO 0.06 1.30 -0.50 1.79 -1.08 0.00 0.00 179.45 181.03 2jnb h THR 45 N 0.10 0.05 -0.02 -0.16 1.35 -1.47 -1.74 112.91 111.03 2jnb h THR 45 Ca -0.18 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.60 2jnb h THR 45 Cb 2.04 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 2jnb h THR 45 CO 0.23 0.00 -0.37 0.17 -0.25 0.00 0.00 175.52 175.30 2jnb h LEU 46 N -0.75 0.04 -2.31 3.87 8.10 -1.71 -2.50 115.31 120.06 2jnb h LEU 46 Ca -0.00 -0.01 0.02 0.00 0.11 0.00 0.00 57.88 58.00 2jnb h LEU 46 Cb 0.75 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.96 2jnb h LEU 46 CO -0.26 0.41 0.08 -1.13 -4.11 0.00 0.00 178.44 173.44 2jnb h ASN 47 N 0.03 0.00 0.57 0.17 -1.24 -1.09 -0.77 115.58 113.25 2jnb h ASN 47 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.87 2jnb h ASN 47 Cb 0.68 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.70 2jnb h ASN 47 CO 0.05 0.00 -1.55 -1.14 -1.29 0.00 0.00 177.43 173.50 2jnb n ARG 48 N -3.93 0.63 -0.11 6.67 0.63 -0.78 -4.99 116.66 114.78 2jnb n ARG 48 Ca -0.01 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2jnb n ARG 48 Cb 0.19 -1.74 0.00 0.00 0.45 0.00 0.00 32.46 31.36 2jnb n ARG 48 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jnb n GLY 49 N 1.39 1.07 0.45 5.14 0.00 -0.29 -5.01 105.19 107.93 2jnb n GLY 49 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.19 0.00 -2.95 -0.61 -6.64 -1.11 -5.02 119.36 102.84 2jnb n ILE 50 Ca 0.00 0.00 -0.44 0.00 -1.77 0.00 0.00 62.75 60.54 2jnb n ILE 50 Cb 0.02 0.55 -0.03 0.00 -1.44 0.00 0.00 39.64 38.73 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2jnb s SER 51 N -0.91 6.40 0.04 7.28 0.15 -1.24 -4.19 113.70 121.24 2jnb s SER 51 Ca 0.00 -1.59 -0.21 0.00 0.70 0.00 0.00 55.95 54.85 2jnb s SER 51 Cb 0.00 -2.38 -0.14 0.00 -1.71 0.00 0.00 66.02 61.79 2jnb s SER 51 CO 0.00 -1.19 1.40 -0.08 1.20 0.00 0.00 173.24 174.57 2jnb h GLU 52 N 9.12 0.31 -1.29 5.44 4.57 -1.95 -3.47 114.58 127.30 2jnb h GLU 52 Ca -0.08 -0.13 0.15 0.00 -1.18 0.00 0.00 59.36 58.12 2jnb h GLU 52 Cb 1.05 -0.01 -0.30 0.00 -0.16 0.00 0.00 28.75 29.33 2jnb h GLU 52 CO 1.12 0.63 0.63 -0.59 -1.18 0.00 0.00 179.01 179.62 2jnb s PHE 53 N -4.57 -0.27 -0.17 0.92 -0.71 -1.25 -5.09 117.98 106.84 2jnb s PHE 53 Ca -0.14 0.60 -0.06 0.00 -1.04 0.00 0.00 56.93 56.28 2jnb s PHE 53 Cb 0.05 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 2jnb s PHE 53 CO 0.73 -0.13 0.04 0.42 -1.34 0.00 0.00 175.22 174.94 2jnb s ILE 54 N 0.68 4.57 -0.13 -4.49 1.09 -1.26 -2.78 121.20 118.87 2jnb s ILE 54 Ca -0.02 -0.12 -0.05 0.00 -1.10 0.00 0.00 60.65 59.37 2jnb s ILE 54 Cb -0.04 -3.03 -0.04 0.00 -1.06 0.00 0.00 42.46 38.29 2jnb s ILE 54 CO -0.12 0.49 0.04 -0.69 -0.10 0.00 0.00 174.94 174.55 2jnb s VAL 55 N 0.21 4.58 0.34 2.92 1.01 -0.41 -3.55 120.40 125.50 2jnb s VAL 55 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.90 2jnb s VAL 55 Cb -0.13 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2jnb s VAL 55 CO 0.01 0.55 0.38 -0.04 0.00 0.00 0.00 175.10 176.00 2jnb s MET 56 N -0.34 1.85 -0.20 2.72 -1.94 -1.24 -0.92 119.30 119.24 2jnb s MET 56 Ca 0.08 -1.90 -0.03 0.00 -1.71 0.00 0.00 55.69 52.13 2jnb s MET 56 Cb -0.12 0.39 -0.01 0.00 2.01 0.00 0.00 34.83 37.10 2jnb s MET 56 CO 0.02 -0.73 -0.07 0.00 -0.01 0.00 0.00 175.02 174.23 2jnb s ALA 57 N -3.20 2.76 0.57 3.03 0.00 -1.20 -1.49 121.76 122.23 2jnb s ALA 57 Ca 0.36 -1.13 0.27 0.00 0.00 0.00 0.00 51.96 51.46 2jnb s ALA 57 Cb 0.01 -1.60 1.58 0.00 0.00 0.00 0.00 23.12 23.11 2jnb s ALA 57 CO 0.24 -0.32 2.08 0.00 0.00 0.00 0.00 175.76 177.76 2jnb h ALA 58 N 7.88 1.94 -0.77 0.00 0.00 -0.70 0.11 119.26 127.73 2jnb h ALA 58 Ca -0.40 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.13 2jnb h ALA 58 Cb 1.17 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 2jnb h ALA 58 CO 0.60 -0.34 0.47 -0.25 0.00 0.00 0.00 179.25 179.73 2jnb n ASP 59 N -3.95 3.74 -4.27 0.00 8.00 -1.26 -4.74 116.55 114.07 2jnb n ASP 59 Ca 0.03 -3.24 -0.38 0.00 0.71 0.00 0.00 54.79 51.91 2jnb n ASP 59 Cb 0.36 -0.76 -0.12 0.00 -0.02 0.00 0.00 41.12 40.58 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jnb s ALA 60 N -2.63 3.09 0.28 2.24 0.00 0.38 -4.97 121.76 120.15 2jnb s ALA 60 Ca 0.46 -1.85 0.08 0.00 0.00 0.00 0.00 51.96 50.65 2jnb s ALA 60 Cb 0.38 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2jnb s ALA 60 CO 0.09 -1.41 0.13 -1.21 0.00 0.00 0.00 175.76 173.37 2jnb s GLU 61 N 1.39 2.61 0.99 0.00 2.02 -1.26 -4.34 118.70 120.11 2jnb s GLU 61 Ca -0.00 -1.27 -0.12 0.00 0.02 0.00 0.00 54.97 53.59 2jnb s GLU 61 Cb -0.20 -2.36 0.18 0.00 0.10 0.00 0.00 34.13 31.85 2jnb s GLU 61 CO 0.02 0.32 1.09 -1.25 0.02 0.00 0.00 175.26 175.46 2jnb s PRO 62 N -3.80 0.48 0.17 0.39 0.04 -1.26 -5.09 135.00 125.92 2jnb s PRO 62 Ca 0.34 0.55 0.21 0.00 0.04 0.00 0.00 61.00 62.14 2jnb s PRO 62 Cb -0.06 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2jnb s PRO 62 CO 0.23 -2.70 0.99 1.28 0.04 0.00 0.00 177.00 176.84 2jnb n LEU 63 N -4.16 0.86 -0.12 -3.56 4.77 -1.26 -4.19 117.00 109.33 2jnb n LEU 63 Ca 0.05 0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 2jnb n LEU 63 Cb 0.57 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2jnb n LEU 63 CO 0.57 -0.11 0.78 -0.08 -1.33 0.00 0.00 177.39 177.22 2jnb h GLU 64 N 0.00 -0.01 -0.59 3.23 4.81 -1.98 0.32 114.58 120.37 2jnb h GLU 64 Ca -0.04 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.36 2jnb h GLU 64 Cb 1.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2jnb h GLU 64 CO 0.01 -0.01 0.45 -0.84 -0.73 0.00 0.00 179.01 177.89 2jnb h ILE 65 N -0.01 0.64 0.00 2.32 3.07 -1.98 0.25 117.51 121.79 2jnb h ILE 65 Ca 0.20 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.56 2jnb h ILE 65 Cb 0.31 0.68 -0.01 0.00 -0.27 0.00 0.00 36.82 37.54 2jnb h ILE 65 CO -0.43 0.00 -1.17 -0.38 -1.05 0.00 0.00 178.15 175.12 2jnb n ILE 66 N -4.24 0.76 0.17 0.16 5.41 0.48 -3.91 119.36 118.19 2jnb n ILE 66 Ca 0.11 -0.59 0.05 0.00 1.00 0.00 0.00 62.75 63.32 2jnb n ILE 66 Cb 0.68 -0.44 0.23 0.00 -0.71 0.00 0.00 39.64 39.41 2jnb n ILE 66 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2jnb h LEU 67 N 0.00 0.00 -0.19 1.39 5.85 0.29 -3.06 115.31 119.60 2jnb h LEU 67 Ca -0.05 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 2jnb h LEU 67 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2jnb h LEU 67 CO 0.01 0.40 -0.50 -0.74 -0.34 0.00 0.00 178.44 177.28 2jnb h HIS 68 N 0.00 0.00 0.15 1.25 2.76 -1.42 -3.33 115.15 114.56 2jnb h HIS 68 Ca -0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2jnb h HIS 68 Cb 1.07 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.98 2jnb h HIS 68 CO 0.00 0.50 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.54 2jnb h LEU 69 N 0.00 -1.54 -9.97 0.26 3.38 -1.66 -3.42 115.31 102.37 2jnb h LEU 69 Ca -0.00 0.16 -0.51 0.00 0.09 0.00 0.00 57.88 57.62 2jnb h LEU 69 Cb 1.31 0.56 0.06 0.00 0.09 0.00 0.00 40.66 42.68 2jnb h LEU 69 CO 0.06 -0.56 0.51 -2.16 0.09 0.00 0.00 178.44 176.38 2jnb s PRO 70 N -5.80 3.92 -0.13 1.13 0.04 -1.25 -5.00 135.00 127.91 2jnb s PRO 70 Ca -0.17 1.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 2jnb s PRO 70 Cb 0.06 -2.57 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 2jnb s PRO 70 CO 0.61 -0.43 0.04 -0.07 0.04 0.00 0.00 177.00 177.19 2jnb h LEU 71 N 2.39 0.00 0.00 -3.56 3.38 -1.89 -3.47 115.31 112.17 2jnb h LEU 71 Ca -0.49 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2jnb h LEU 71 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2jnb h LEU 71 CO 0.62 0.77 0.00 0.18 0.09 0.00 0.00 178.44 180.09 2jnb n LEU 72 N -4.66 0.00 -3.62 1.67 7.99 -1.26 -5.14 117.00 111.98 2jnb n LEU 72 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.85 2jnb n LEU 72 Cb 0.23 -0.10 -0.06 0.00 -0.11 0.00 0.00 43.42 43.39 2jnb n LEU 72 CO 0.10 -0.25 0.90 0.00 -1.51 0.00 0.00 177.39 176.63 2jnb h GLU 74 N 3.11 0.00 0.00 0.00 9.09 -1.89 0.23 114.58 125.11 2jnb h GLU 74 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.19 2jnb h GLU 74 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2jnb h GLU 74 CO 0.21 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 179.02 2jnb n ASP 75 N -3.78 0.69 -0.10 3.06 9.92 -1.26 -3.65 116.55 121.43 2jnb n ASP 75 Ca -0.02 0.60 -0.14 0.00 -0.53 0.00 0.00 54.79 54.70 2jnb n ASP 75 Cb 0.13 -0.77 -0.09 0.00 -0.64 0.00 0.00 41.12 39.75 2jnb n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2jnb n LYS 76 N -2.18 0.47 0.00 -1.24 5.02 0.57 -4.99 118.16 115.81 2jnb n LYS 76 Ca 0.04 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2jnb n LYS 76 Cb 0.34 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2jnb n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jnb n ASN 77 N -3.15 0.00 -3.30 4.39 5.03 0.06 -5.02 115.26 113.26 2jnb n ASN 77 Ca -0.34 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 54.99 2jnb n ASN 77 Cb 0.85 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.55 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jnb s VAL 78 N 0.00 -0.51 0.05 2.41 1.01 -1.16 -4.83 120.40 117.38 2jnb s VAL 78 Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.90 2jnb s VAL 78 Cb 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 36.38 35.83 2jnb s VAL 78 CO 0.00 -0.43 1.41 -2.16 0.00 0.00 0.00 175.10 173.91 2jnb s PRO 79 N 1.47 4.30 -0.27 2.72 0.04 -1.26 -3.77 135.00 138.23 2jnb s PRO 79 Ca 0.18 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 2jnb s PRO 79 Cb -0.12 -3.43 0.08 0.00 0.04 0.00 0.00 34.50 31.07 2jnb s PRO 79 CO -0.04 -0.52 0.77 0.71 0.04 0.00 0.00 177.00 177.96 2jnb s TYR 80 N 1.83 -0.79 0.12 0.56 2.02 -1.26 -4.81 117.35 115.02 2jnb s TYR 80 Ca 0.65 1.83 0.08 0.00 -0.37 0.00 0.00 57.07 59.26 2jnb s TYR 80 Cb -0.34 0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 2jnb s TYR 80 CO 0.29 -0.38 -0.11 0.54 -1.57 0.00 0.00 175.55 174.31 2jnb s VAL 81 N 0.63 3.27 -0.12 0.71 0.11 -1.23 -4.66 120.40 119.11 2jnb s VAL 81 Ca -0.02 -1.37 -0.04 0.00 -2.93 0.00 0.00 61.98 57.62 2jnb s VAL 81 Cb -0.05 -2.55 0.05 0.00 -1.53 0.00 0.00 36.38 32.31 2jnb s VAL 81 CO -0.04 0.06 0.10 -0.36 -3.33 0.00 0.00 175.10 171.53 2jnb s PHE 82 N -1.30 0.04 0.55 1.54 0.40 -1.26 -3.60 117.98 114.35 2jnb s PHE 82 Ca 0.22 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.51 2jnb s PHE 82 Cb -0.11 -0.52 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 2jnb s PHE 82 CO 0.14 -0.38 0.94 0.08 0.70 0.00 0.00 175.22 176.70 2jnb s VAL 83 N 2.19 4.71 -0.48 -0.44 1.01 -0.56 -0.06 120.40 126.78 2jnb s VAL 83 Ca 0.04 0.80 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2jnb s VAL 83 Cb -0.14 -3.82 0.28 0.00 0.00 0.00 0.00 36.38 32.70 2jnb s VAL 83 CO -0.07 -0.92 2.10 -1.14 0.00 0.00 0.00 175.10 175.08 2jnb n ARG 84 N -2.22 2.21 -3.64 2.72 3.00 -1.24 -0.10 116.66 117.39 2jnb n ARG 84 Ca 0.05 -2.31 -0.02 0.00 -0.00 0.00 0.00 57.85 55.56 2jnb n ARG 84 Cb 0.54 -1.93 -0.03 0.00 0.00 0.00 0.00 32.46 31.05 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2jnb s SER 85 N -0.53 -0.02 -0.07 6.15 1.04 -1.26 -4.96 113.70 114.05 2jnb s SER 85 Ca 0.46 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 2jnb s SER 85 Cb 0.36 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2jnb s SER 85 CO -0.05 -0.03 -0.07 2.29 0.98 0.00 0.00 173.24 176.37 2jnb n LYS 86 N 0.25 0.16 -0.17 4.02 2.85 -1.26 -4.60 118.16 119.41 2jnb n LYS 86 Ca 0.03 0.05 0.22 0.00 -1.05 0.00 0.00 58.31 57.56 2jnb n LYS 86 Cb 0.58 -1.01 0.62 0.00 -0.65 0.00 0.00 35.03 34.56 2jnb n LYS 86 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2jnb h GLN 87 N -0.08 0.19 -0.24 -1.58 4.20 -1.98 0.09 115.11 115.72 2jnb h GLN 87 Ca -0.15 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2jnb h GLN 87 Cb 1.20 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 2jnb h GLN 87 CO -0.05 0.13 0.13 0.00 -0.67 0.00 0.00 178.83 178.37 2jnb h ALA 88 N 1.62 0.31 -0.01 3.87 0.00 -2.00 -2.78 119.26 120.26 2jnb h ALA 88 Ca 0.41 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 2jnb h ALA 88 Cb 1.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2jnb h ALA 88 CO -0.08 -0.15 -0.69 1.25 0.00 0.00 0.00 179.25 179.58 2jnb h LEU 89 N 0.27 0.09 -2.31 0.00 5.85 -1.36 -3.07 115.31 114.79 2jnb h LEU 89 Ca 0.08 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2jnb h LEU 89 Cb 0.08 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2jnb h LEU 89 CO -0.01 0.75 0.05 1.23 -0.34 0.00 0.00 178.44 180.12 2jnb h GLY 90 N 1.88 0.00 0.00 3.75 0.00 -0.79 -0.05 103.07 107.86 2jnb h GLY 90 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2jnb h GLY 90 CO 0.10 0.00 -0.33 -0.09 0.00 0.00 0.00 176.54 176.21 2jnb h ARG 91 N 0.00 0.00 -0.79 4.80 9.65 -1.42 -3.13 114.38 123.49 2jnb h ARG 91 Ca 0.02 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 59.01 2jnb h ARG 91 Cb 0.12 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.62 2jnb h ARG 91 CO -0.00 0.38 0.41 0.00 2.80 0.00 0.00 179.97 183.56 2jnb h ALA 92 N -0.70 1.13 -0.50 2.80 0.00 -1.48 0.59 119.26 121.10 2jnb h ALA 92 Ca -0.06 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2jnb h ALA 92 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2jnb h ALA 92 CO -0.03 -0.01 0.40 0.00 0.00 0.00 0.00 179.25 179.60 2jnb n GLY 94 N -1.59 0.95 3.39 0.00 0.00 0.20 -5.07 105.19 103.07 2jnb n GLY 94 Ca 0.09 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 2jnb n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jnb s VAL 95 N -2.71 1.26 0.02 1.61 -7.23 -1.18 -5.06 120.40 107.10 2jnb s VAL 95 Ca 0.00 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 57.95 2jnb s VAL 95 Cb 0.00 -2.50 -0.33 0.00 0.56 0.00 0.00 36.38 34.11 2jnb s VAL 95 CO 0.00 -0.23 1.01 0.28 -0.31 0.00 0.00 175.10 175.85 2jnb h SER 96 N 2.31 0.77 -2.15 4.85 0.02 -1.98 -3.42 113.55 113.95 2jnb h SER 96 Ca -0.39 -0.90 -0.46 0.00 -0.84 0.00 0.00 61.79 59.19 2jnb h SER 96 Cb 1.23 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2jnb h SER 96 CO 0.67 1.61 -0.43 -0.13 -1.14 0.00 0.00 176.83 177.40 2jnb s ARG 97 N -2.68 3.35 0.73 3.45 0.52 -1.26 -5.03 118.95 118.03 2jnb s ARG 97 Ca -0.10 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.17 2jnb s ARG 97 Cb 0.04 -2.85 0.04 0.00 0.52 0.00 0.00 34.95 32.70 2jnb s ARG 97 CO 0.92 0.39 1.10 -1.25 0.02 0.00 0.00 175.30 176.47 2jnb s PRO 98 N -3.99 2.46 -0.15 3.54 0.04 -1.26 -4.78 135.00 130.87 2jnb s PRO 98 Ca 0.35 1.25 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 2jnb s PRO 98 Cb -0.09 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 2jnb s PRO 98 CO 0.29 -1.50 -0.07 0.08 0.04 0.00 0.00 177.00 175.85 2jnb s VAL 99 N -2.70 3.64 0.07 -0.36 1.01 -1.26 -4.97 120.40 115.82 2jnb s VAL 99 Ca 0.63 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 2jnb s VAL 99 Cb -0.18 -2.58 -0.19 0.00 0.00 0.00 0.00 36.38 33.43 2jnb s VAL 99 CO 0.51 0.50 1.23 0.40 0.00 0.00 0.00 175.10 177.74 2jnb h ILE 100 N 5.22 1.32 -2.12 2.22 2.04 -1.96 -3.42 117.51 120.80 2jnb h ILE 100 Ca -0.29 -2.00 0.03 0.00 1.00 0.00 0.00 64.86 63.59 2jnb h ILE 100 Cb 1.20 2.20 -0.22 0.00 -0.74 0.00 0.00 36.82 39.26 2jnb h ILE 100 CO 0.61 0.62 -0.16 0.00 0.00 0.00 0.00 178.15 179.21 2jnb s ALA 101 N -3.57 -1.82 0.12 1.87 0.00 -1.26 -3.26 121.76 113.85 2jnb s ALA 101 Ca -0.11 2.17 0.11 0.00 0.00 0.00 0.00 51.96 54.12 2jnb s ALA 101 Cb 0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2jnb s ALA 101 CO 0.88 -0.80 -0.26 0.00 0.00 0.00 0.00 175.76 175.58 2jnb s SER 103 N -2.02 4.98 -0.16 0.00 0.01 -0.21 -1.29 113.70 115.00 2jnb s SER 103 Ca 0.13 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2jnb s SER 103 Cb -0.10 -1.15 0.03 0.00 0.21 0.00 0.00 66.02 65.01 2jnb s SER 103 CO 0.06 0.13 -0.11 -0.69 0.41 0.00 0.00 173.24 173.04 2jnb s VAL 104 N -1.51 1.47 -0.09 3.43 1.01 -1.12 -3.12 120.40 120.47 2jnb s VAL 104 Ca 0.27 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 2jnb s VAL 104 Cb -0.11 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2jnb s VAL 104 CO 0.19 0.32 0.24 0.42 0.00 0.00 0.00 175.10 176.27 2jnb s THR 105 N 1.50 5.33 0.12 3.92 -4.23 -1.26 -3.57 115.64 117.44 2jnb s THR 105 Ca 0.03 0.45 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2jnb s THR 105 Cb -0.14 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 2jnb s THR 105 CO -0.09 0.58 0.35 -0.51 -0.54 0.00 0.00 174.62 174.41 2jnb s ILE 106 N -0.86 5.19 -0.11 2.99 2.07 -1.26 -4.98 121.20 124.24 2jnb s ILE 106 Ca 0.18 0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.41 2jnb s ILE 106 Cb -0.14 -3.62 -0.04 0.00 0.13 0.00 0.00 42.46 38.80 2jnb s ILE 106 CO 0.07 0.10 0.06 -0.75 -1.91 0.00 0.00 174.94 172.50 2jnb s LYS 107 N -2.51 3.23 -0.37 3.50 2.47 -1.26 -5.05 119.74 119.76 2jnb s LYS 107 Ca 0.39 -0.30 -0.21 0.00 -1.56 0.00 0.00 55.97 54.29 2jnb s LYS 107 Cb -0.12 -2.97 0.01 0.00 -1.46 0.00 0.00 37.83 33.28 2jnb s LYS 107 CO 0.24 0.69 0.65 -1.21 0.16 0.00 0.00 175.35 175.88 2jnb s GLU 108 N -0.83 3.63 0.00 4.03 2.02 -1.26 -3.90 118.70 122.38 2jnb s GLU 108 Ca 0.13 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.14 2jnb s GLU 108 Cb -0.12 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.28 2jnb s GLU 108 CO 0.03 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2jnb n GLY 109 N 4.71 1.51 3.23 -1.39 0.00 -1.26 -5.11 105.19 106.89 2jnb n GLY 109 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2jnb n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jnb s SER 110 N -2.00 2.02 0.57 1.61 0.15 -1.25 -5.02 113.70 109.77 2jnb s SER 110 Ca 0.00 -0.74 0.26 0.00 0.70 0.00 0.00 55.95 56.17 2jnb s SER 110 Cb 0.00 -0.08 1.60 0.00 -1.71 0.00 0.00 66.02 65.84 2jnb s SER 110 CO 0.00 -0.09 2.14 0.06 1.20 0.00 0.00 173.24 176.55 2jnb h GLN 111 N 3.80 0.00 -0.29 5.44 -0.00 -1.99 -0.74 115.11 121.32 2jnb h GLN 111 Ca -0.41 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.32 2jnb h GLN 111 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.66 2jnb h GLN 111 CO 0.46 0.00 0.24 -0.07 -0.00 0.00 0.00 178.83 179.46 2jnb h LEU 112 N 0.00 0.00 -1.65 0.06 -0.00 -1.95 -0.57 115.31 111.20 2jnb h LEU 112 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.07 2jnb h LEU 112 Cb 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 2jnb h LEU 112 CO -0.00 0.00 0.45 0.50 -0.00 0.00 0.00 178.44 179.39 2jnb h LYS 113 N 0.00 0.36 0.00 1.13 3.64 -1.35 0.17 116.57 120.53 2jnb h LYS 113 Ca 0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2jnb h LYS 113 Cb 0.61 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2jnb h LYS 113 CO -0.00 0.24 -0.00 0.37 -2.27 0.00 0.00 179.45 177.79 2jnb h GLN 114 N 0.37 -0.01 0.04 1.90 5.75 -1.29 -2.94 115.11 118.93 2jnb h GLN 114 Ca 0.32 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.84 2jnb h GLN 114 Cb 0.73 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.24 2jnb h GLN 114 CO -0.09 0.65 -0.25 1.96 -2.65 0.00 0.00 178.83 178.45 2jnb h GLN 115 N -0.99 -0.39 -0.43 1.69 4.20 -1.41 0.90 115.11 118.68 2jnb h GLN 115 Ca -0.00 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2jnb h GLN 115 Cb 0.66 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2jnb h GLN 115 CO 0.00 -0.26 0.29 0.82 -0.67 0.00 0.00 178.83 179.01 2jnb h ILE 116 N -0.41 0.95 -0.02 2.54 2.04 -0.83 -0.54 117.51 121.25 2jnb h ILE 116 Ca 0.05 -0.11 -0.16 0.00 1.00 0.00 0.00 64.86 65.65 2jnb h ILE 116 Cb 0.47 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2jnb h ILE 116 CO -0.19 0.06 -0.70 1.56 0.00 0.00 0.00 178.15 178.87 2jnb h GLN 117 N 0.32 0.10 -0.11 2.37 1.08 -1.05 -2.39 115.11 115.42 2jnb h GLN 117 Ca 0.19 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2jnb h GLN 117 Cb 0.35 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2jnb h GLN 117 CO -0.04 0.76 0.03 1.03 -0.95 0.00 0.00 178.83 179.66 2jnb h SER 118 N 0.07 0.17 0.57 1.46 0.87 0.79 -1.96 113.55 115.52 2jnb h SER 118 Ca -0.01 -0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.24 2jnb h SER 118 Cb 1.25 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2jnb h SER 118 CO 0.10 0.33 -0.47 -0.29 -0.53 0.00 0.00 176.83 175.97 2jnb h ILE 119 N -0.01 1.24 -0.38 2.23 2.10 -1.52 -3.01 117.51 118.17 2jnb h ILE 119 Ca 0.04 -1.67 -0.11 0.00 1.08 0.00 0.00 64.86 64.20 2jnb h ILE 119 Cb 0.23 1.93 -0.02 0.00 -1.09 0.00 0.00 36.82 37.87 2jnb h ILE 119 CO -0.00 0.46 -0.20 -0.61 -1.08 0.00 0.00 178.15 176.72 2jnb h GLN 120 N 0.00 0.73 -0.71 2.19 4.15 -1.21 -2.74 115.11 117.52 2jnb h GLN 120 Ca -0.00 -0.28 0.20 0.00 0.77 0.00 0.00 58.65 59.34 2jnb h GLN 120 Cb 0.89 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.51 2jnb h GLN 120 CO 0.06 0.87 0.51 1.96 -1.93 0.00 0.00 178.83 180.30 2jnb h GLN 121 N 0.64 0.03 -0.37 1.69 4.20 -1.21 0.91 115.11 120.99 2jnb h GLN 121 Ca 0.10 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 2jnb h GLN 121 Cb 0.69 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2jnb h GLN 121 CO 0.05 0.02 -0.36 0.77 -0.67 0.00 0.00 178.83 178.64 2jnb h SER 122 N 0.03 0.93 -0.41 1.46 0.02 -1.61 -3.01 113.55 110.94 2jnb h SER 122 Ca 0.34 -0.41 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2jnb h SER 122 Cb 1.32 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 2jnb h SER 122 CO -0.01 1.18 0.07 0.40 -1.14 0.00 0.00 176.83 177.33 2jnb h ILE 123 N 0.72 0.77 -0.61 3.27 2.04 -0.89 0.22 117.51 123.03 2jnb h ILE 123 Ca 0.07 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2jnb h ILE 123 Cb 0.93 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2jnb h ILE 123 CO 0.09 0.04 0.34 -0.33 0.00 0.00 0.00 178.15 178.28 2jnb h GLU 124 N 0.20 0.83 -0.24 2.37 4.39 -1.51 0.20 114.58 120.81 2jnb h GLU 124 Ca 0.20 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 2jnb h GLU 124 Cb 0.26 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2jnb h GLU 124 CO -0.28 0.61 -0.43 0.00 -1.16 0.00 0.00 179.01 177.75 2jnb h ARG 125 N 0.84 0.72 -0.12 2.33 2.47 -1.10 -2.99 114.38 116.54 2jnb h ARG 125 Ca 0.22 -0.45 -0.14 0.00 -1.26 0.00 0.00 59.98 58.35 2jnb h ARG 125 Cb 0.01 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2jnb h ARG 125 CO -0.04 1.07 -0.52 -0.07 0.56 0.00 0.00 179.97 180.98 2jnb h LEU 126 N 0.45 0.36 0.00 3.04 -0.00 -0.22 -3.33 115.31 115.62 2jnb h LEU 126 Ca 0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2jnb h LEU 126 Cb 1.03 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 2jnb h LEU 126 CO 0.10 0.82 0.00 0.18 -0.00 0.00 0.00 178.44 179.54 2jnb n LEU 127 N -3.94 0.00 -0.90 1.67 4.77 0.66 -4.88 117.00 114.37 2jnb n LEU 127 Ca -0.02 0.95 0.11 0.00 -0.03 0.00 0.00 56.01 57.02 2jnb n LEU 127 Cb 0.57 -0.45 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 2jnb n LEU 127 CO 0.44 -0.45 0.61 0.52 -1.33 0.00 0.00 177.39 177.18