#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 2.81 -2.74 2.03 -1.04 -1.26 -4.64 114.28 109.44 2jnb n THR 2 Ca 0.00 -4.12 -0.04 0.00 -2.04 0.00 0.00 64.05 57.85 2jnb n THR 2 Cb 0.00 -1.18 0.06 0.00 -1.82 0.00 0.00 70.33 67.39 2jnb n THR 2 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2jnb n GLU 3 N -0.69 1.42 -2.14 -2.82 0.28 -1.26 -5.12 120.64 110.31 2jnb n GLU 3 Ca 0.48 -2.94 -0.38 0.00 -0.16 0.00 0.00 57.16 54.16 2jnb n GLU 3 Cb 0.78 -1.04 -0.00 0.00 1.43 0.00 0.00 31.44 32.60 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jnb s ALA 4 N -2.62 3.11 0.00 -1.84 0.00 -1.26 -5.00 121.76 114.15 2jnb s ALA 4 Ca 0.24 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2jnb s ALA 4 Cb 0.39 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2jnb s ALA 4 CO -0.03 -0.76 0.00 -0.25 0.00 0.00 0.00 175.76 174.72 2jnb n ASP 5 N -0.15 0.00 -1.18 0.00 8.00 -1.26 -5.09 116.55 116.87 2jnb n ASP 5 Ca 0.05 0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.74 2jnb n ASP 5 Cb 0.46 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 2jnb n ASP 5 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2jnb n VAL 6 N -1.20 -1.93 -1.59 2.53 0.31 -1.26 -4.92 118.33 110.27 2jnb n VAL 6 Ca 0.00 1.04 -0.31 0.00 -0.01 0.00 0.00 64.34 65.06 2jnb n VAL 6 Cb 0.00 -1.71 0.05 0.00 -0.91 0.00 0.00 33.84 31.28 2jnb n VAL 6 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jnb s ASN 7 N -5.16 5.31 0.52 4.52 0.01 -1.26 -4.95 114.94 113.94 2jnb s ASN 7 Ca 0.00 1.56 0.31 0.00 -0.71 0.00 0.00 52.86 54.02 2jnb s ASN 7 Cb 0.00 -2.43 1.30 0.00 0.41 0.00 0.00 41.25 40.53 2jnb s ASN 7 CO 0.00 -1.48 1.97 1.55 -1.51 0.00 0.00 177.10 177.63 2jnb h PRO 8 N -0.74 0.00 -1.97 -0.60 0.13 -2.03 -3.22 132.00 123.56 2jnb h PRO 8 Ca -0.44 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2jnb h PRO 8 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 2jnb h PRO 8 CO 0.57 0.07 0.47 1.63 -0.23 0.00 0.00 178.00 180.51 2jnb n LYS 9 N -3.21 2.42 -0.93 0.86 5.02 -1.26 -3.96 118.16 117.09 2jnb n LYS 9 Ca 0.00 -2.45 -0.02 0.00 -2.02 0.00 0.00 58.31 53.83 2jnb n LYS 9 Cb 0.32 -2.14 -0.02 0.00 -0.02 0.00 0.00 35.03 33.17 2jnb n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jnb n ALA 10 N 0.69 2.77 -2.54 7.82 0.00 -1.22 -5.06 120.51 122.97 2jnb n ALA 10 Ca 0.49 -0.97 -0.24 0.00 0.00 0.00 0.00 53.44 52.72 2jnb n ALA 10 Cb 0.52 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 2.46 0.96 0.00 1.51 -1.25 -4.28 117.35 116.74 2jnb s TYR 11 Ca 0.08 -0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 55.74 2jnb s TYR 11 Cb 0.09 -1.08 0.16 0.00 -0.11 0.00 0.00 41.96 41.03 2jnb s TYR 11 CO -0.04 0.68 1.09 -1.25 -1.11 0.00 0.00 175.55 174.92 2jnb s PRO 12 N -3.57 0.77 -0.16 -1.71 0.04 -1.26 -4.92 135.00 124.19 2jnb s PRO 12 Ca 0.31 0.66 0.01 0.00 0.04 0.00 0.00 61.00 62.01 2jnb s PRO 12 Cb -0.06 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2jnb s PRO 12 CO 0.17 -2.53 -0.20 -1.17 0.04 0.00 0.00 177.00 173.31 2jnb s LEU 13 N -6.36 2.17 -0.00 -3.56 2.96 -1.26 -3.52 118.68 109.10 2jnb s LEU 13 Ca 0.65 -0.61 -0.20 0.00 -0.22 0.00 0.00 54.13 53.74 2jnb s LEU 13 Cb -0.18 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2jnb s LEU 13 CO 0.57 0.04 0.59 0.00 -1.32 0.00 0.00 176.35 176.23 2jnb s ALA 14 N 1.08 3.49 0.58 5.97 0.00 -1.14 -5.04 121.76 126.70 2jnb s ALA 14 Ca -0.00 0.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.85 2jnb s ALA 14 Cb -0.14 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 2jnb s ALA 14 CO -0.08 0.18 1.02 0.16 0.00 0.00 0.00 175.76 177.04 2jnb s ASP 15 N -0.23 6.24 0.49 0.00 -4.77 -1.26 -4.67 116.67 112.46 2jnb s ASP 15 Ca 0.31 1.54 0.24 0.00 -3.30 0.00 0.00 52.55 51.34 2jnb s ASP 15 Cb -0.18 -2.49 1.29 0.00 -1.09 0.00 0.00 42.92 40.44 2jnb s ASP 15 CO 0.17 -0.86 1.91 0.00 0.70 0.00 0.00 175.17 177.10 2jnb h ALA 16 N 0.19 2.48 -0.74 2.11 0.00 -1.97 -0.17 119.26 121.17 2jnb h ALA 16 Ca -0.45 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.56 2jnb h ALA 16 Cb 1.19 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2jnb h ALA 16 CO 0.61 -0.71 0.35 1.25 0.00 0.00 0.00 179.25 180.75 2jnb h HIS 17 N 0.17 0.62 0.09 0.00 6.17 -2.01 0.16 115.15 120.35 2jnb h HIS 17 Ca 0.38 0.03 -0.30 0.00 0.71 0.00 0.00 60.37 61.19 2jnb h HIS 17 Cb 1.26 -0.17 -0.02 0.00 2.52 0.00 0.00 27.41 31.00 2jnb h HIS 17 CO -0.00 0.18 -1.57 -0.07 0.71 0.00 0.00 177.93 177.19 2jnb h LEU 18 N 0.57 0.29 -1.82 0.26 -0.00 -1.47 -3.33 115.31 109.82 2jnb h LEU 18 Ca 0.38 -0.44 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 2jnb h LEU 18 Cb 0.46 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2jnb h LEU 18 CO -0.31 1.38 -0.09 0.74 -0.00 0.00 0.00 178.44 180.15 2jnb h THR 19 N 0.05 1.06 -0.14 0.22 2.02 -0.60 -2.24 112.91 113.27 2jnb h THR 19 Ca -0.25 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 66.65 2jnb h THR 19 Cb 2.00 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 69.53 2jnb h THR 19 CO 0.14 0.09 -0.17 0.50 0.37 0.00 0.00 175.52 176.45 2jnb h LYS 20 N 0.00 -0.20 -0.04 6.66 3.64 -0.80 -0.40 116.57 125.43 2jnb h LYS 20 Ca -0.00 0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 2jnb h LYS 20 Cb 0.17 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2jnb h LYS 20 CO 0.01 -0.14 -0.67 0.87 -2.27 0.00 0.00 179.45 177.26 2jnb h LYS 21 N -0.21 0.20 -0.98 1.90 6.56 -1.69 -3.16 116.57 119.19 2jnb h LYS 21 Ca 0.10 -0.15 0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2jnb h LYS 21 Cb 0.36 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.00 2jnb h LYS 21 CO -0.27 0.79 0.64 1.25 -2.06 0.00 0.00 179.45 179.81 2jnb h LEU 22 N 0.14 1.08 -2.06 2.94 6.46 -0.78 -1.15 115.31 121.94 2jnb h LEU 22 Ca -0.01 -0.02 0.11 0.00 -0.12 0.00 0.00 57.88 57.84 2jnb h LEU 22 Cb 1.20 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.86 2jnb h LEU 22 CO 0.10 0.75 0.31 -0.07 -0.62 0.00 0.00 178.44 178.92 2jnb h LEU 23 N 1.26 0.00 -0.68 2.25 4.07 -1.05 0.23 115.31 121.39 2jnb h LEU 23 Ca 0.38 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.21 2jnb h LEU 23 Cb -0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 2jnb h LEU 23 CO -0.11 0.00 -0.59 -0.78 -1.08 0.00 0.00 178.44 175.88 2jnb h ASP 24 N 0.00 0.00 -0.66 -0.43 3.58 -1.34 -3.11 116.42 114.47 2jnb h ASP 24 Ca 0.18 0.00 0.14 0.00 0.42 0.00 0.00 57.03 57.76 2jnb h ASP 24 Cb 0.80 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 2jnb h ASP 24 CO -0.00 0.59 0.45 0.25 -2.88 0.00 0.00 179.24 177.65 2jnb h LEU 25 N 0.00 0.29 0.08 2.28 7.12 -0.52 -0.96 115.31 123.60 2jnb h LEU 25 Ca -0.01 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jnb h LEU 25 Cb 1.13 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 2jnb h LEU 25 CO 0.08 0.16 -0.04 0.58 -0.13 0.00 0.00 178.44 179.09 2jnb h VAL 26 N 0.32 1.19 -0.24 1.05 2.07 -1.62 -2.41 116.25 116.61 2jnb h VAL 26 Ca 0.32 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2jnb h VAL 26 Cb 0.81 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2jnb h VAL 26 CO -0.08 0.27 0.17 -0.61 0.02 0.00 0.00 177.57 177.34 2jnb h GLN 27 N -0.65 0.05 -0.01 1.57 4.15 -1.48 -0.27 115.11 118.47 2jnb h GLN 27 Ca -0.01 -0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 2jnb h GLN 27 Cb 0.53 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 2jnb h GLN 27 CO 0.02 0.04 -0.78 1.96 -1.93 0.00 0.00 178.83 178.13 2jnb h GLN 28 N 0.06 0.11 0.09 1.69 4.20 -1.16 -2.83 115.11 117.26 2jnb h GLN 28 Ca 0.11 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jnb h GLN 28 Cb 0.37 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2jnb h GLN 28 CO -0.01 0.83 -0.04 0.77 -0.67 0.00 0.00 178.83 179.71 2jnb h SER 29 N 0.07 -0.10 -0.04 1.46 0.02 -0.56 -3.17 113.55 111.23 2jnb h SER 29 Ca -0.02 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.46 2jnb h SER 29 Cb 1.37 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 2jnb h SER 29 CO 0.11 0.49 0.04 0.00 -1.14 0.00 0.00 176.83 176.32 2jnb h ASN 31 N 0.00 0.00 -0.57 0.00 -1.24 -1.47 -2.63 115.58 109.67 2jnb h ASN 31 Ca 0.02 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.88 2jnb h ASN 31 Cb 0.09 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.05 2jnb h ASN 31 CO -0.00 0.14 0.19 -1.22 -1.29 0.00 0.00 177.43 175.25 2jnb n TYR 32 N -3.31 1.90 -2.06 0.67 4.02 0.09 -4.87 117.16 113.61 2jnb n TYR 32 Ca 0.00 -0.93 -0.18 0.00 -0.01 0.00 0.00 57.90 56.79 2jnb n TYR 32 Cb 0.37 -0.56 -0.04 0.00 -0.02 0.00 0.00 39.34 39.09 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2jnb n LYS 33 N 0.02 -1.69 -4.13 -0.72 5.02 -0.99 -4.95 118.16 110.72 2jnb n LYS 33 Ca 0.31 0.94 -0.18 0.00 -2.02 0.00 0.00 58.31 57.36 2jnb n LYS 33 Cb 1.14 -5.46 -0.15 0.00 -0.02 0.00 0.00 35.03 30.54 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 -4.44 0.55 -0.27 1.97 1.03 -1.12 -5.04 119.66 112.34 2jnb s GLN 34 Ca 0.00 -0.11 -0.26 0.00 0.04 0.00 0.00 55.36 55.03 2jnb s GLN 34 Cb 0.00 -0.58 0.13 0.00 0.03 0.00 0.00 33.01 32.59 2jnb s GLN 34 CO 0.00 0.00 1.07 -1.17 -2.54 0.00 0.00 175.29 172.65 2jnb s LEU 35 N 0.45 -0.40 -0.12 2.60 1.98 -1.26 -2.52 118.68 119.41 2jnb s LEU 35 Ca -0.05 0.74 -0.04 0.00 -2.89 0.00 0.00 54.13 51.89 2jnb s LEU 35 Cb -0.09 1.81 0.06 0.00 0.66 0.00 0.00 46.19 48.63 2jnb s LEU 35 CO -0.00 -0.16 0.20 -0.60 -1.89 0.00 0.00 176.35 173.89 2jnb s ARG 36 N 0.03 0.10 -0.51 1.98 6.06 -1.24 -5.04 118.95 120.34 2jnb s ARG 36 Ca 0.03 0.53 0.04 0.00 -2.50 0.00 0.00 55.73 53.83 2jnb s ARG 36 Cb -0.04 -0.41 0.16 0.00 0.06 0.00 0.00 34.95 34.71 2jnb s ARG 36 CO -0.06 -0.37 0.37 0.15 -2.50 0.00 0.00 175.30 172.88 2jnb s LYS 37 N 2.33 1.45 -0.30 5.12 1.02 -1.26 -0.12 119.74 127.98 2jnb s LYS 37 Ca 0.03 -2.45 -0.16 0.00 0.02 0.00 0.00 55.97 53.40 2jnb s LYS 37 Cb -0.13 -2.19 0.17 0.00 -0.52 0.00 0.00 37.83 35.16 2jnb s LYS 37 CO -0.08 -1.31 1.09 0.20 -0.92 0.00 0.00 175.35 174.33 2jnb s GLY 38 N -0.34 0.06 0.10 -3.33 0.00 0.92 -4.91 107.32 99.83 2jnb s GLY 38 Ca 0.27 3.31 -0.19 0.00 0.00 0.00 0.00 44.72 48.12 2jnb s GLY 38 CO -0.15 3.09 1.63 0.00 0.00 0.00 0.00 173.10 177.66 2jnb h ALA 39 N 6.82 0.35 -0.53 3.20 0.00 -1.86 0.24 119.26 127.48 2jnb h ALA 39 Ca -0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2jnb h ALA 39 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2jnb h ALA 39 CO 0.12 -0.03 0.14 -0.91 0.00 0.00 0.00 179.25 178.57 2jnb h ASN 40 N 0.27 0.74 1.06 0.00 -0.26 -1.91 -2.40 115.58 113.08 2jnb h ASN 40 Ca 0.09 -0.12 -0.14 0.00 -0.56 0.00 0.00 56.30 55.56 2jnb h ASN 40 Cb 0.22 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2jnb h ASN 40 CO -0.00 0.72 -0.67 -0.33 -1.06 0.00 0.00 177.43 176.09 2jnb h GLU 41 N 0.77 0.00 -0.82 0.81 5.08 -1.90 -3.21 114.58 115.31 2jnb h GLU 41 Ca 0.17 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.75 2jnb h GLU 41 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2jnb h GLU 41 CO -0.00 0.67 0.57 0.00 -1.00 0.00 0.00 179.01 179.25 2jnb h ALA 42 N 1.33 2.54 -0.18 3.43 0.00 0.02 0.24 119.26 126.65 2jnb h ALA 42 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2jnb h ALA 42 Cb 1.38 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2jnb h ALA 42 CO 0.09 -0.79 0.23 1.15 0.00 0.00 0.00 179.25 179.93 2jnb h THR 43 N 0.15 0.38 0.02 0.00 2.02 -1.61 -1.82 112.91 112.05 2jnb h THR 43 Ca 0.41 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.56 2jnb h THR 43 Cb 1.37 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2jnb h THR 43 CO -0.07 0.00 -0.13 0.11 0.37 0.00 0.00 175.52 175.80 2jnb h LYS 44 N 0.00 0.06 -0.24 6.66 1.79 -0.75 -3.24 116.57 120.84 2jnb h LYS 44 Ca 0.08 -0.08 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2jnb h LYS 44 Cb 0.54 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.15 2jnb h LYS 44 CO -0.00 0.99 -0.23 1.79 -1.08 0.00 0.00 179.45 180.92 2jnb h THR 45 N -0.84 0.41 -0.61 -0.16 1.35 -1.38 0.15 112.91 111.83 2jnb h THR 45 Ca -0.02 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.01 2jnb h THR 45 Cb 1.05 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 2jnb h THR 45 CO 0.02 0.00 0.44 0.25 -0.25 0.00 0.00 175.52 175.98 2jnb h LEU 46 N -0.24 0.02 0.00 3.87 6.46 -1.60 0.28 115.31 124.11 2jnb h LEU 46 Ca 0.14 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.75 2jnb h LEU 46 Cb 0.45 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2jnb h LEU 46 CO -0.38 0.01 -0.84 -1.13 -0.62 0.00 0.00 178.44 175.48 2jnb h ASN 47 N 0.02 0.00 1.26 1.25 -1.24 -0.88 -3.25 115.58 112.73 2jnb h ASN 47 Ca 0.29 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.22 2jnb h ASN 47 Cb 1.14 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.17 2jnb h ASN 47 CO -0.01 0.66 -0.38 0.03 -1.29 0.00 0.00 177.43 176.44 2jnb h ARG 48 N 0.00 0.00 -1.16 6.67 3.08 0.20 -3.48 114.38 119.70 2jnb h ARG 48 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jnb h ARG 48 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.59 2jnb h ARG 48 CO 0.08 0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.77 2jnb n GLY 49 N 0.76 0.75 0.08 0.04 0.00 -0.51 -4.98 105.19 101.33 2jnb n GLY 49 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.51 0.00 -2.96 -0.61 -0.00 -1.22 -5.02 119.36 108.04 2jnb n ILE 50 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 62.75 62.31 2jnb n ILE 50 Cb 0.41 0.83 -0.03 0.00 -0.00 0.00 0.00 39.64 40.84 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2jnb s SER 51 N -0.15 6.50 -0.12 7.28 1.04 -1.26 -4.08 113.70 122.91 2jnb s SER 51 Ca 0.00 -1.82 0.11 0.00 0.48 0.00 0.00 55.95 54.72 2jnb s SER 51 Cb 0.00 -2.38 -0.15 0.00 0.10 0.00 0.00 66.02 63.59 2jnb s SER 51 CO 0.00 -1.11 0.05 -0.62 0.98 0.00 0.00 173.24 172.53 2jnb n GLU 52 N 6.59 1.99 -4.30 4.02 -0.58 -1.26 -4.92 120.64 122.18 2jnb n GLU 52 Ca 0.14 -0.01 -0.23 0.00 -0.42 0.00 0.00 57.16 56.64 2jnb n GLU 52 Cb 0.48 -1.31 -0.17 0.00 -0.57 0.00 0.00 31.44 29.87 2jnb n GLU 52 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2jnb s PHE 53 N -2.30 1.17 -0.08 -0.32 2.19 -1.24 -4.79 117.98 112.61 2jnb s PHE 53 Ca -0.06 -0.43 -0.03 0.00 0.33 0.00 0.00 56.93 56.73 2jnb s PHE 53 Cb 0.04 -0.94 0.04 0.00 -1.31 0.00 0.00 43.02 40.85 2jnb s PHE 53 CO 0.50 -0.28 0.17 0.42 1.83 0.00 0.00 175.22 177.86 2jnb s ILE 54 N 0.97 -0.10 -0.04 3.12 1.09 -1.26 -0.97 121.20 124.01 2jnb s ILE 54 Ca -0.10 0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.69 2jnb s ILE 54 Cb -0.15 -0.29 -0.03 0.00 -1.06 0.00 0.00 42.46 40.94 2jnb s ILE 54 CO 0.00 0.09 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.13 2jnb s VAL 55 N 1.45 3.34 -0.05 2.92 1.01 -1.13 -3.52 120.40 124.42 2jnb s VAL 55 Ca -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2jnb s VAL 55 Cb -0.11 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.95 2jnb s VAL 55 CO -0.07 0.55 0.10 -0.04 0.00 0.00 0.00 175.10 175.64 2jnb s MET 56 N -0.91 0.00 0.31 2.72 -1.94 -0.94 -1.77 119.30 116.77 2jnb s MET 56 Ca 0.13 0.37 -0.29 0.00 -1.71 0.00 0.00 55.69 54.19 2jnb s MET 56 Cb -0.11 -0.30 -0.11 0.00 2.01 0.00 0.00 34.83 36.33 2jnb s MET 56 CO 0.02 -0.24 1.45 0.00 -0.01 0.00 0.00 175.02 176.24 2jnb s ALA 57 N 1.66 3.60 0.18 3.03 0.00 -1.23 -4.03 121.76 124.97 2jnb s ALA 57 Ca -0.03 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 2jnb s ALA 57 Cb -0.12 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.51 2jnb s ALA 57 CO -0.04 -0.84 1.71 0.00 0.00 0.00 0.00 175.76 176.58 2jnb h ALA 58 N 4.06 0.82 -0.92 0.00 0.00 -1.91 -2.72 119.26 118.59 2jnb h ALA 58 Ca -0.48 -0.20 -0.55 0.00 0.00 0.00 0.00 54.91 53.67 2jnb h ALA 58 Cb 1.23 -0.24 -0.28 0.00 0.00 0.00 0.00 17.79 18.50 2jnb h ALA 58 CO 0.71 0.48 0.71 -3.47 0.00 0.00 0.00 179.25 177.69 2jnb n ASP 59 N -4.38 5.61 -4.62 0.00 -0.08 -1.26 -4.94 116.55 106.89 2jnb n ASP 59 Ca 0.04 -3.58 -0.34 0.00 -1.51 0.00 0.00 54.79 49.39 2jnb n ASP 59 Cb 0.21 -0.90 -0.11 0.00 2.34 0.00 0.00 41.12 42.66 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jnb s ALA 60 N -3.29 3.09 0.10 -1.67 0.00 -1.03 -5.07 121.76 113.89 2jnb s ALA 60 Ca 0.56 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.66 2jnb s ALA 60 Cb 0.46 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2jnb s ALA 60 CO 0.05 0.58 -0.07 -1.83 0.00 0.00 0.00 175.76 174.49 2jnb s GLU 61 N -0.92 0.82 0.33 0.00 4.04 -1.26 -3.82 118.70 117.90 2jnb s GLU 61 Ca 0.13 -1.30 -0.28 0.00 0.04 0.00 0.00 54.97 53.56 2jnb s GLU 61 Cb -0.11 -0.22 -0.10 0.00 0.02 0.00 0.00 34.13 33.73 2jnb s GLU 61 CO 0.03 -0.01 1.22 -1.25 -1.84 0.00 0.00 175.26 173.40 2jnb s PRO 62 N -3.70 4.36 0.03 -4.83 0.04 -1.26 -4.87 135.00 124.78 2jnb s PRO 62 Ca 0.11 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.33 2jnb s PRO 62 Cb 0.04 -3.01 -0.16 0.00 0.04 0.00 0.00 34.50 31.41 2jnb s PRO 62 CO -0.04 -0.11 0.75 1.28 0.04 0.00 0.00 177.00 178.92 2jnb n LEU 63 N 0.74 0.80 -0.22 -3.56 4.77 -1.25 -4.17 117.00 114.12 2jnb n LEU 63 Ca 0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2jnb n LEU 63 Cb 0.44 0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.75 2jnb n LEU 63 CO 0.56 0.19 1.02 -0.08 -1.33 0.00 0.00 177.39 177.75 2jnb h GLU 64 N 0.00 0.47 -0.83 3.23 4.81 -1.99 -1.42 114.58 118.85 2jnb h GLU 64 Ca -0.19 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2jnb h GLU 64 Cb 1.66 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.87 2jnb h GLU 64 CO 0.05 0.31 0.50 0.82 -0.73 0.00 0.00 179.01 179.96 2jnb h ILE 65 N 0.49 1.00 -0.14 2.32 2.04 -1.99 -0.61 117.51 120.62 2jnb h ILE 65 Ca 0.32 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2jnb h ILE 65 Cb 0.35 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2jnb h ILE 65 CO -0.28 0.16 0.09 0.40 0.00 0.00 0.00 178.15 178.53 2jnb h ILE 66 N 0.89 0.99 0.00 -0.67 2.04 -1.46 0.96 117.51 120.26 2jnb h ILE 66 Ca 0.37 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.20 2jnb h ILE 66 Cb 0.22 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2jnb h ILE 66 CO -0.19 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.16 2jnb n LEU 67 N -4.51 0.31 -0.10 1.44 4.77 -0.24 -2.92 117.00 115.75 2jnb n LEU 67 Ca -0.00 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.40 2jnb n LEU 67 Cb 0.14 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2jnb n LEU 67 CO 0.34 -0.32 0.53 -0.74 -1.33 0.00 0.00 177.39 175.87 2jnb h HIS 68 N 0.00 1.02 0.20 -1.77 2.76 -0.73 -3.29 115.15 113.34 2jnb h HIS 68 Ca 0.00 -0.32 0.01 0.00 -2.20 0.00 0.00 60.37 57.86 2jnb h HIS 68 Cb 0.37 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 2jnb h HIS 68 CO 0.00 1.13 -0.52 -0.07 -1.30 0.00 0.00 177.93 177.17 2jnb h LEU 69 N 0.62 -1.53 -8.98 0.26 3.38 -1.64 -3.39 115.31 104.04 2jnb h LEU 69 Ca 0.04 0.15 -0.57 0.00 0.09 0.00 0.00 57.88 57.60 2jnb h LEU 69 Cb 0.98 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 2jnb h LEU 69 CO 0.09 -0.58 1.15 -2.16 0.09 0.00 0.00 178.44 177.04 2jnb s PRO 70 N -5.81 3.69 -0.14 1.13 0.04 -1.24 -4.91 135.00 127.77 2jnb s PRO 70 Ca -0.17 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 2jnb s PRO 70 Cb 0.06 -4.07 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 2jnb s PRO 70 CO 0.61 -1.43 0.10 -0.07 0.04 0.00 0.00 177.00 176.25 2jnb h LEU 71 N 12.12 0.00 0.00 -3.56 4.07 -1.84 -3.47 115.31 122.64 2jnb h LEU 71 Ca -0.33 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.40 2jnb h LEU 71 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 2jnb h LEU 71 CO 1.01 0.81 0.00 0.18 -1.08 0.00 0.00 178.44 179.36 2jnb n LEU 72 N -4.65 0.00 0.00 1.67 7.99 -1.26 -5.16 117.00 115.59 2jnb n LEU 72 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 2jnb n LEU 72 Cb 0.26 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2jnb n LEU 72 CO 0.12 -0.30 0.00 0.00 -1.51 0.00 0.00 177.39 175.70 2jnb h GLU 74 N 0.00 0.31 -0.21 0.00 3.07 -1.89 0.26 114.58 116.13 2jnb h GLU 74 Ca 0.00 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2jnb h GLU 74 Cb 0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2jnb h GLU 74 CO 0.00 0.21 0.16 0.22 -1.40 0.00 0.00 179.01 178.19 2jnb h ASP 75 N 0.32 0.00 -0.39 1.42 3.58 -1.95 0.23 116.42 119.65 2jnb h ASP 75 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2jnb h ASP 75 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2jnb h ASP 75 CO -0.13 0.00 0.00 1.17 -2.88 0.00 0.00 179.24 177.40 2jnb n LYS 76 N -4.44 2.46 -2.42 0.28 4.81 0.92 -4.96 118.16 114.81 2jnb n LYS 76 Ca 0.02 -1.63 -0.01 0.00 -0.87 0.00 0.00 58.31 55.83 2jnb n LYS 76 Cb 0.30 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.79 2jnb n LYS 76 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jnb n ASN 77 N 0.59 -6.51 -3.33 3.14 3.02 0.82 -4.95 115.26 108.04 2jnb n ASN 77 Ca 0.15 0.99 -0.14 0.00 -0.03 0.00 0.00 54.58 55.55 2jnb n ASN 77 Cb 0.53 -4.26 -0.07 0.00 -0.61 0.00 0.00 39.78 35.37 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jnb s VAL 78 N -1.34 -0.43 0.82 2.41 1.01 -1.25 -4.99 120.40 116.62 2jnb s VAL 78 Ca 0.02 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 2jnb s VAL 78 Cb -0.01 -0.56 0.08 0.00 0.00 0.00 0.00 36.38 35.90 2jnb s VAL 78 CO 0.59 -0.50 1.09 -2.16 0.00 0.00 0.00 175.10 174.12 2jnb s PRO 79 N 1.46 1.88 -0.08 2.72 0.04 -1.26 -4.68 135.00 135.08 2jnb s PRO 79 Ca 0.17 1.03 -0.32 0.00 0.04 0.00 0.00 61.00 61.93 2jnb s PRO 79 Cb -0.13 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.67 2jnb s PRO 79 CO -0.03 -1.87 1.40 1.52 0.04 0.00 0.00 177.00 178.07 2jnb s TYR 80 N -2.92 -0.00 -0.29 0.56 -0.85 -1.25 -4.72 117.35 107.87 2jnb s TYR 80 Ca 0.62 -0.02 -0.21 0.00 -0.52 0.00 0.00 57.07 56.95 2jnb s TYR 80 Cb -0.17 0.51 0.18 0.00 0.38 0.00 0.00 41.96 42.86 2jnb s TYR 80 CO 0.56 -0.05 1.26 0.54 -1.52 0.00 0.00 175.55 176.35 2jnb s VAL 81 N -2.05 0.00 -0.21 -3.49 0.11 -1.23 -4.94 120.40 108.60 2jnb s VAL 81 Ca 0.21 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2jnb s VAL 81 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2jnb s VAL 81 CO -0.05 0.00 0.06 -0.36 -3.33 0.00 0.00 175.10 171.42 2jnb s PHE 82 N 0.59 3.16 -0.01 1.54 0.08 -1.23 -2.22 117.98 119.89 2jnb s PHE 82 Ca -0.01 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 56.98 2jnb s PHE 82 Cb -0.04 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 2jnb s PHE 82 CO -0.12 -0.06 -0.23 0.14 -0.10 0.00 0.00 175.22 174.85 2jnb s VAL 83 N 0.85 2.32 -0.62 -0.44 -7.23 -1.26 -2.90 120.40 111.12 2jnb s VAL 83 Ca 0.03 -1.07 -0.05 0.00 -1.81 0.00 0.00 61.98 59.08 2jnb s VAL 83 Cb -0.14 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2jnb s VAL 83 CO 0.02 0.54 2.96 -1.14 -0.31 0.00 0.00 175.10 177.17 2jnb n ARG 84 N 2.26 2.85 -3.13 4.82 0.63 -1.26 -3.80 116.66 119.02 2jnb n ARG 84 Ca -0.16 -2.17 0.05 0.00 -0.92 0.00 0.00 57.85 54.65 2jnb n ARG 84 Cb 0.51 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 31.16 2jnb n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jnb s SER 85 N 1.02 -0.35 0.09 6.15 0.15 -1.26 -5.03 113.70 114.47 2jnb s SER 85 Ca 0.62 0.03 0.11 0.00 0.70 0.00 0.00 55.95 57.41 2jnb s SER 85 Cb 0.31 1.19 -0.16 0.00 -1.71 0.00 0.00 66.02 65.65 2jnb s SER 85 CO -0.12 -0.06 1.07 0.07 1.20 0.00 0.00 173.24 175.40 2jnb h LYS 86 N 7.14 0.00 -0.01 5.44 -0.00 -1.94 -3.30 116.57 123.91 2jnb h LYS 86 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.55 2jnb h LYS 86 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 2jnb h LYS 86 CO -0.11 0.67 -0.02 0.37 -0.00 0.00 0.00 179.45 180.36 2jnb h GLN 87 N 0.00 0.03 -0.98 0.07 4.15 -1.96 -2.97 115.11 113.45 2jnb h GLN 87 Ca -0.11 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.48 2jnb h GLN 87 Cb 1.74 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 29.34 2jnb h GLN 87 CO 0.09 0.67 0.61 0.00 -1.93 0.00 0.00 178.83 178.27 2jnb h ALA 88 N 0.36 1.81 0.42 3.38 0.00 -1.98 0.11 119.26 123.35 2jnb h ALA 88 Ca -0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jnb h ALA 88 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jnb h ALA 88 CO 0.00 -0.15 -0.20 1.25 0.00 0.00 0.00 179.25 180.15 2jnb h LEU 89 N 0.69 -0.48 -1.77 0.00 5.85 -1.63 -3.01 115.31 114.96 2jnb h LEU 89 Ca 0.55 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 2jnb h LEU 89 Cb 0.95 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2jnb h LEU 89 CO -0.32 -0.18 0.09 1.23 -0.34 0.00 0.00 178.44 178.93 2jnb h GLY 90 N -0.79 0.25 0.61 3.75 0.00 -1.20 -2.02 103.07 103.67 2jnb h GLY 90 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2jnb h GLY 90 CO 0.09 0.10 -0.33 3.21 0.00 0.00 0.00 176.54 179.62 2jnb h ARG 91 N 0.24 -0.63 0.00 4.80 3.08 -0.70 -1.38 114.38 119.79 2jnb h ARG 91 Ca 0.06 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2jnb h ARG 91 Cb 0.02 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2jnb h ARG 91 CO -0.01 -0.42 -0.23 0.00 -1.07 0.00 0.00 179.97 178.24 2jnb h ALA 92 N -0.11 1.15 -0.02 0.04 0.00 -1.39 -2.66 119.26 116.27 2jnb h ALA 92 Ca -0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2jnb h ALA 92 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jnb h ALA 92 CO -0.09 0.29 -0.35 0.00 0.00 0.00 0.00 179.25 179.10 2jnb n GLY 94 N -0.48 0.99 3.45 0.00 0.00 -0.59 -5.05 105.19 103.51 2jnb n GLY 94 Ca -0.02 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.35 0.86 -0.13 1.61 -7.23 -1.06 -5.06 120.40 107.05 2jnb s VAL 95 Ca 0.00 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.35 2jnb s VAL 95 Cb 0.00 -2.60 -0.22 0.00 0.56 0.00 0.00 36.38 34.11 2jnb s VAL 95 CO 0.00 0.00 0.47 -1.20 -0.31 0.00 0.00 175.10 174.06 2jnb n SER 96 N -0.89 0.38 -4.67 4.85 7.64 -1.26 -4.63 113.62 115.04 2jnb n SER 96 Ca -0.03 0.17 -0.23 0.00 1.01 0.00 0.00 58.87 59.79 2jnb n SER 96 Cb 0.66 0.80 -0.07 0.00 -1.01 0.00 0.00 64.21 64.59 2jnb n SER 96 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jnb s ARG 97 N -2.85 2.37 1.19 1.43 3.00 -1.26 -5.06 118.95 117.77 2jnb s ARG 97 Ca -0.07 -1.40 -0.19 0.00 0.00 0.00 0.00 55.73 54.08 2jnb s ARG 97 Cb 0.09 -2.20 0.28 0.00 0.00 0.00 0.00 34.95 33.11 2jnb s ARG 97 CO 0.84 0.34 1.11 -1.25 0.00 0.00 0.00 175.30 176.34 2jnb s PRO 98 N -3.71 -1.13 0.10 3.54 0.04 -1.26 -4.72 135.00 127.85 2jnb s PRO 98 Ca 0.32 -0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.41 2jnb s PRO 98 Cb -0.06 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 2jnb s PRO 98 CO 0.21 -3.66 -0.21 0.08 0.04 0.00 0.00 177.00 173.46 2jnb s VAL 99 N -3.00 1.69 -0.18 -0.36 1.01 -1.26 -4.96 120.40 113.34 2jnb s VAL 99 Ca 0.71 -1.52 0.12 0.00 0.00 0.00 0.00 61.98 61.28 2jnb s VAL 99 Cb -0.10 -1.54 -0.19 0.00 0.00 0.00 0.00 36.38 34.55 2jnb s VAL 99 CO 0.56 -0.05 0.00 2.30 0.00 0.00 0.00 175.10 177.91 2jnb n ILE 100 N 1.12 1.18 -3.46 2.22 -5.35 -1.26 -4.28 119.36 109.54 2jnb n ILE 100 Ca -0.19 -0.66 0.01 0.00 -0.27 0.00 0.00 62.75 61.63 2jnb n ILE 100 Cb 0.54 -0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 37.69 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 -2.29 0.06 -1.28 0.00 -1.26 -3.49 121.76 111.09 2jnb s ALA 101 Ca -0.13 2.12 0.06 0.00 0.00 0.00 0.00 51.96 54.02 2jnb s ALA 101 Cb 0.06 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2jnb s ALA 101 CO 0.65 -1.06 -0.12 0.00 0.00 0.00 0.00 175.76 175.22 2jnb s SER 103 N -1.75 4.97 -0.44 0.00 0.15 0.83 -2.83 113.70 114.62 2jnb s SER 103 Ca 0.18 -1.55 -0.21 0.00 0.70 0.00 0.00 55.95 55.07 2jnb s SER 103 Cb -0.11 -1.73 0.02 0.00 -1.71 0.00 0.00 66.02 62.49 2jnb s SER 103 CO 0.09 -0.34 0.66 -0.69 1.20 0.00 0.00 173.24 174.16 2jnb s VAL 104 N 1.19 4.80 0.01 4.45 1.01 -0.14 -3.63 120.40 128.09 2jnb s VAL 104 Ca -0.00 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 2jnb s VAL 104 Cb -0.20 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2jnb s VAL 104 CO -0.03 -0.61 0.81 0.42 0.00 0.00 0.00 175.10 175.70 2jnb s THR 105 N 2.88 4.82 0.03 3.92 -4.23 -1.26 -3.63 115.64 118.17 2jnb s THR 105 Ca 0.24 1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 62.16 2jnb s THR 105 Cb -0.14 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.50 2jnb s THR 105 CO 0.19 0.29 0.97 -0.51 -0.54 0.00 0.00 174.62 175.02 2jnb s ILE 106 N 0.40 4.77 -0.47 2.99 2.07 -1.26 -5.01 121.20 124.69 2jnb s ILE 106 Ca 0.42 2.05 -0.21 0.00 -1.41 0.00 0.00 60.65 61.49 2jnb s ILE 106 Cb -0.20 -4.31 0.03 0.00 0.13 0.00 0.00 42.46 38.11 2jnb s ILE 106 CO 0.23 0.21 0.72 -0.75 -1.91 0.00 0.00 174.94 173.44 2jnb s LYS 107 N 0.72 3.28 0.14 3.50 2.47 -1.26 -5.03 119.74 123.56 2jnb s LYS 107 Ca 0.50 -0.39 -0.30 0.00 -1.56 0.00 0.00 55.97 54.21 2jnb s LYS 107 Cb -0.22 -3.99 -0.07 0.00 -1.46 0.00 0.00 37.83 32.09 2jnb s LYS 107 CO 0.28 -1.15 1.25 -2.00 0.16 0.00 0.00 175.35 173.89 2jnb s GLU 108 N 3.07 4.43 0.00 4.03 2.12 -1.26 -3.48 118.70 127.61 2jnb s GLU 108 Ca 0.24 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.48 2jnb s GLU 108 Cb -0.14 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.98 2jnb s GLU 108 CO 0.19 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 2jnb n GLY 109 N 2.70 1.23 3.33 -1.50 0.00 -1.26 -5.09 105.19 104.60 2jnb n GLY 109 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 2jnb n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jnb s SER 110 N -2.46 0.01 0.51 1.61 1.04 -1.23 -5.03 113.70 108.15 2jnb s SER 110 Ca 0.00 -0.75 0.24 0.00 0.48 0.00 0.00 55.95 55.92 2jnb s SER 110 Cb 0.00 0.43 1.36 0.00 0.10 0.00 0.00 66.02 67.91 2jnb s SER 110 CO 0.00 -0.87 2.06 0.06 0.98 0.00 0.00 173.24 175.47 2jnb h GLN 111 N 2.54 0.00 -0.99 4.02 3.07 -1.98 -2.67 115.11 119.09 2jnb h GLN 111 Ca -0.32 0.00 0.18 0.00 0.09 0.00 0.00 58.65 58.60 2jnb h GLN 111 Cb 1.23 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.69 2jnb h GLN 111 CO 0.49 0.13 0.62 -0.07 0.09 0.00 0.00 178.83 180.08 2jnb h LEU 112 N 0.00 0.77 -1.38 0.06 3.38 -1.96 0.12 115.31 116.29 2jnb h LEU 112 Ca -0.00 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.24 2jnb h LEU 112 Cb 0.31 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2jnb h LEU 112 CO 0.02 0.30 0.59 0.50 0.09 0.00 0.00 178.44 179.94 2jnb h LYS 113 N 0.77 0.51 0.08 1.13 3.64 -1.65 0.36 116.57 121.42 2jnb h LYS 113 Ca 0.55 -0.03 -0.26 0.00 -1.27 0.00 0.00 60.65 59.64 2jnb h LYS 113 Cb 0.86 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2jnb h LYS 113 CO -0.34 0.34 -1.14 0.37 -2.27 0.00 0.00 179.45 176.42 2jnb h GLN 114 N 0.53 0.40 0.69 1.90 4.15 -0.96 -2.58 115.11 119.24 2jnb h GLN 114 Ca 0.48 -0.54 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 2jnb h GLN 114 Cb 1.02 0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.89 2jnb h GLN 114 CO -0.21 1.21 -0.33 1.96 -1.93 0.00 0.00 178.83 179.53 2jnb h GLN 115 N 0.17 -0.90 -0.23 1.69 1.08 -0.51 -2.61 115.11 113.81 2jnb h GLN 115 Ca -0.13 0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2jnb h GLN 115 Cb 1.82 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 29.44 2jnb h GLN 115 CO 0.20 -0.58 0.01 0.82 -0.95 0.00 0.00 178.83 178.33 2jnb h ILE 116 N -1.02 1.14 0.00 2.54 2.04 -1.28 -1.66 117.51 119.26 2jnb h ILE 116 Ca -0.10 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 2jnb h ILE 116 Cb 0.74 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2jnb h ILE 116 CO 0.16 0.18 -0.04 -0.61 0.00 0.00 0.00 178.15 177.83 2jnb h GLN 117 N 0.32 0.00 0.04 2.37 -0.00 -1.27 0.24 115.11 116.81 2jnb h GLN 117 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2jnb h GLN 117 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.68 2jnb h GLN 117 CO 0.00 0.04 -0.02 0.77 0.00 0.00 0.00 178.83 179.63 2jnb h SER 118 N 0.00 -0.04 0.19 -0.69 0.02 -0.92 -3.24 113.55 108.87 2jnb h SER 118 Ca -0.00 -0.66 -0.10 0.00 -0.84 0.00 0.00 61.79 60.19 2jnb h SER 118 Cb 0.10 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2jnb h SER 118 CO 0.01 0.70 -0.38 0.40 -1.14 0.00 0.00 176.83 176.42 2jnb h ILE 119 N -0.84 1.30 -0.35 3.27 2.04 -1.43 -2.80 117.51 118.70 2jnb h ILE 119 Ca -0.00 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.49 2jnb h ILE 119 Cb 0.70 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2jnb h ILE 119 CO 0.01 0.43 0.24 1.56 0.00 0.00 0.00 178.15 180.39 2jnb h GLN 120 N 0.22 0.14 -0.48 2.37 4.20 -0.62 -0.74 115.11 120.20 2jnb h GLN 120 Ca 0.02 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 2jnb h GLN 120 Cb 0.77 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2jnb h GLN 120 CO 0.06 0.09 0.13 0.37 -0.67 0.00 0.00 178.83 178.82 2jnb h GLN 121 N 0.15 0.71 -0.09 1.46 5.75 -1.52 0.15 115.11 121.72 2jnb h GLN 121 Ca 0.16 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2jnb h GLN 121 Cb 0.44 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 2jnb h GLN 121 CO -0.02 0.63 0.05 1.03 -2.65 0.00 0.00 178.83 177.87 2jnb h SER 122 N 0.69 0.10 0.14 -0.69 0.87 -1.25 -2.02 113.55 111.39 2jnb h SER 122 Ca 0.16 -0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.49 2jnb h SER 122 Cb 0.23 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2jnb h SER 122 CO -0.01 0.11 -0.74 0.40 -0.53 0.00 0.00 176.83 176.07 2jnb h ILE 123 N 0.09 1.35 -0.70 2.23 2.04 -1.50 -3.15 117.51 117.86 2jnb h ILE 123 Ca 0.03 -2.08 0.08 0.00 1.00 0.00 0.00 64.86 63.89 2jnb h ILE 123 Cb 0.02 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.12 2jnb h ILE 123 CO -0.01 0.64 0.46 -0.08 0.00 0.00 0.00 178.15 179.16 2jnb h GLU 124 N 0.35 0.63 -0.78 2.37 4.81 -0.53 0.26 114.58 121.69 2jnb h GLU 124 Ca -0.03 -0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.27 2jnb h GLU 124 Cb 1.32 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 2jnb h GLU 124 CO 0.13 0.42 0.39 0.00 -0.73 0.00 0.00 179.01 179.23 2jnb h ARG 125 N 0.65 0.61 0.00 1.92 2.47 -1.32 0.23 114.38 118.93 2jnb h ARG 125 Ca 0.32 -0.04 -0.22 0.00 -1.26 0.00 0.00 59.98 58.77 2jnb h ARG 125 Cb 0.38 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.53 2jnb h ARG 125 CO -0.11 0.40 -1.45 -0.07 0.56 0.00 0.00 179.97 179.30 2jnb h LEU 126 N 0.63 0.00 0.00 3.04 3.38 -1.44 -3.40 115.31 117.51 2jnb h LEU 126 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2jnb h LEU 126 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jnb h LEU 126 CO -0.31 0.80 0.00 0.18 0.09 0.00 0.00 178.44 179.21 2jnb n LEU 127 N -3.02 0.74 -0.48 1.67 7.99 0.83 -5.08 117.00 119.65 2jnb n LEU 127 Ca -0.11 0.49 0.14 0.00 -0.01 0.00 0.00 56.01 56.52 2jnb n LEU 127 Cb 0.94 -0.29 0.53 0.00 -0.11 0.00 0.00 43.42 44.48 2jnb n LEU 127 CO 0.44 -0.29 0.87 0.52 -1.51 0.00 0.00 177.39 177.42