#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 0.00-11.65 -3.23 2.03 -1.04 -1.26 -5.08 114.28 94.05 2jnb n THR 2 Ca 0.00 2.28 0.04 0.00 -2.04 0.00 0.00 64.05 64.33 2jnb n THR 2 Cb 0.00 -6.34 -0.02 0.00 -1.82 0.00 0.00 70.33 62.14 2jnb n THR 2 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2jnb s GLU 3 N -0.91 0.23 0.18 -2.82 2.12 -1.26 -5.15 118.70 111.10 2jnb s GLU 3 Ca -0.19 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 55.33 2jnb s GLU 3 Cb 0.01 0.28 -0.08 0.00 0.26 0.00 0.00 34.13 34.60 2jnb s GLU 3 CO 0.71 -0.19 0.89 0.00 -0.54 0.00 0.00 175.26 176.13 2jnb s ALA 4 N 2.73 3.35 -0.50 6.30 0.00 -1.26 -4.97 121.76 127.41 2jnb s ALA 4 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2jnb s ALA 4 Cb -0.09 -3.15 0.45 0.00 0.00 0.00 0.00 23.12 20.34 2jnb s ALA 4 CO -0.14 0.18 1.66 -0.40 0.00 0.00 0.00 175.76 177.06 2jnb n ASP 5 N 1.84 6.46 -4.56 0.00 5.75 -1.26 -4.99 116.55 119.80 2jnb n ASP 5 Ca -0.02 -3.77 -0.31 0.00 -0.01 0.00 0.00 54.79 50.67 2jnb n ASP 5 Cb 0.48 -0.69 -0.11 0.00 -1.03 0.00 0.00 41.12 39.77 2jnb n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2jnb s VAL 6 N -4.72 3.38 0.90 2.12 1.01 -1.26 -5.11 120.40 116.72 2jnb s VAL 6 Ca 0.59 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 2jnb s VAL 6 Cb 0.47 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2jnb s VAL 6 CO 0.01 0.33 0.39 -0.46 0.00 0.00 0.00 175.10 175.37 2jnb n ASN 7 N 1.40 -2.03 -0.03 3.32 0.23 -1.26 -4.93 115.26 111.96 2jnb n ASN 7 Ca -0.15 0.38 -0.13 0.00 -0.53 0.00 0.00 54.58 54.15 2jnb n ASN 7 Cb 0.52 -1.19 -0.09 0.00 -2.08 0.00 0.00 39.78 36.94 2jnb n ASN 7 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2jnb h PRO 8 N -1.26 0.12 -6.35 -0.53 0.13 -1.95 -3.48 132.00 118.68 2jnb h PRO 8 Ca -0.44 -0.06 -0.48 0.00 -0.87 0.00 0.00 66.00 64.15 2jnb h PRO 8 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2jnb h PRO 8 CO 0.36 0.57 -0.82 1.17 -0.23 0.00 0.00 178.00 179.05 2jnb n LYS 9 N -4.76 -4.50 -2.74 0.86 4.81 -1.26 -2.86 118.16 107.71 2jnb n LYS 9 Ca -0.08 0.53 -0.04 0.00 -0.87 0.00 0.00 58.31 57.85 2jnb n LYS 9 Cb 0.29 -5.13 0.02 0.00 0.02 0.00 0.00 35.03 30.23 2jnb n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jnb n ALA 10 N -4.46 -2.18 -3.16 3.14 0.00 -1.26 -5.02 120.51 107.57 2jnb n ALA 10 Ca -0.13 0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.38 2jnb n ALA 10 Cb 0.60 -2.31 -0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -3.10 -1.82 1.07 0.00 6.14 -1.14 -3.83 117.35 114.67 2jnb s TYR 11 Ca 0.12 0.93 -0.14 0.00 0.64 0.00 0.00 57.07 58.62 2jnb s TYR 11 Cb -0.02 0.32 0.22 0.00 0.42 0.00 0.00 41.96 42.90 2jnb s TYR 11 CO 0.57 -1.09 1.10 -1.25 0.64 0.00 0.00 175.55 175.52 2jnb s PRO 12 N 2.66 -0.14 -0.24 4.97 0.04 -1.26 -4.89 135.00 136.13 2jnb s PRO 12 Ca 0.11 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.46 2jnb s PRO 12 Cb -0.09 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.83 2jnb s PRO 12 CO -0.23 -3.07 0.01 -1.17 0.04 0.00 0.00 177.00 172.59 2jnb s LEU 13 N -6.63 2.18 -0.16 -3.56 2.96 -1.25 -4.65 118.68 107.58 2jnb s LEU 13 Ca 0.67 -1.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.07 2jnb s LEU 13 Cb -0.16 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 2jnb s LEU 13 CO 0.57 -0.31 1.39 0.00 -1.32 0.00 0.00 176.35 176.69 2jnb s ALA 14 N 1.56 3.58 1.12 5.97 0.00 -1.22 -5.01 121.76 127.77 2jnb s ALA 14 Ca 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 2jnb s ALA 14 Cb -0.18 -3.69 0.25 0.00 0.00 0.00 0.00 23.12 19.51 2jnb s ALA 14 CO -0.11 -1.37 1.05 0.16 0.00 0.00 0.00 175.76 175.49 2jnb s ASP 15 N 2.61 1.47 0.45 0.00 1.47 -1.26 -4.22 116.67 117.19 2jnb s ASP 15 Ca 0.61 1.24 0.25 0.00 1.18 0.00 0.00 52.55 55.83 2jnb s ASP 15 Cb -0.24 -1.93 0.95 0.00 -0.34 0.00 0.00 42.92 41.36 2jnb s ASP 15 CO 0.20 -3.86 1.84 0.00 0.68 0.00 0.00 175.17 174.04 2jnb h ALA 16 N -2.39 1.03 -1.00 2.11 0.00 -1.95 -2.76 119.26 114.30 2jnb h ALA 16 Ca -0.57 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.25 2jnb h ALA 16 Cb 1.33 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 2jnb h ALA 16 CO 0.52 0.26 0.63 1.25 0.00 0.00 0.00 179.25 181.91 2jnb h HIS 17 N 0.00 1.15 0.02 0.00 6.17 -2.00 0.25 115.15 120.73 2jnb h HIS 17 Ca -0.00 0.03 -0.19 0.00 0.71 0.00 0.00 60.37 60.92 2jnb h HIS 17 Cb 0.72 -0.37 -0.02 0.00 2.52 0.00 0.00 27.41 30.27 2jnb h HIS 17 CO 0.00 0.48 -1.04 -0.07 0.71 0.00 0.00 177.93 178.01 2jnb h LEU 18 N 1.02 0.05 -2.14 0.26 -0.00 -1.91 -3.35 115.31 109.26 2jnb h LEU 18 Ca 0.48 -0.66 0.07 0.00 -0.00 0.00 0.00 57.88 57.77 2jnb h LEU 18 Cb 0.42 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 2jnb h LEU 18 CO -0.25 1.42 0.29 0.74 -0.00 0.00 0.00 178.44 180.63 2jnb h THR 19 N -0.89 0.43 -0.08 0.22 2.02 -1.37 -2.24 112.91 111.00 2jnb h THR 19 Ca -0.27 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.95 2jnb h THR 19 Cb 1.31 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 2jnb h THR 19 CO -0.13 0.00 -0.29 0.50 0.37 0.00 0.00 175.52 175.97 2jnb h LYS 20 N 0.00 -0.38 -0.11 6.66 3.64 -0.64 0.17 116.57 125.90 2jnb h LYS 20 Ca 0.12 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2jnb h LYS 20 Cb 0.69 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2jnb h LYS 20 CO -0.00 -0.25 -0.37 0.87 -2.27 0.00 0.00 179.45 177.43 2jnb h LYS 21 N -0.39 0.23 -0.69 1.90 1.57 -1.61 -2.93 116.57 114.65 2jnb h LYS 21 Ca 0.08 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2jnb h LYS 21 Cb 0.52 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2jnb h LYS 21 CO -0.30 0.57 0.20 1.25 -0.57 0.00 0.00 179.45 180.60 2jnb h LEU 22 N 0.20 1.00 -1.94 2.94 6.46 -1.14 -2.36 115.31 120.46 2jnb h LEU 22 Ca 0.02 -0.19 0.16 0.00 -0.12 0.00 0.00 57.88 57.76 2jnb h LEU 22 Cb 0.74 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 2jnb h LEU 22 CO 0.06 0.94 0.42 -0.07 -0.62 0.00 0.00 178.44 179.17 2jnb h LEU 23 N 1.03 0.05 -1.59 2.25 4.07 -0.52 0.24 115.31 120.85 2jnb h LEU 23 Ca 0.22 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.14 2jnb h LEU 23 Cb 0.31 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2jnb h LEU 23 CO -0.01 0.03 -0.22 -0.78 -1.08 0.00 0.00 178.44 176.38 2jnb h ASP 24 N 0.05 0.00 0.09 -0.43 3.58 -1.51 -2.40 116.42 115.81 2jnb h ASP 24 Ca 0.28 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 2jnb h ASP 24 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2jnb h ASP 24 CO -0.02 0.22 -0.46 -0.07 -2.88 0.00 0.00 179.24 176.03 2jnb h LEU 25 N 0.00 0.47 0.25 2.28 -0.00 -0.60 -2.56 115.31 115.15 2jnb h LEU 25 Ca -0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2jnb h LEU 25 Cb 0.41 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2jnb h LEU 25 CO 0.03 0.87 -0.12 0.58 -0.00 0.00 0.00 178.44 179.80 2jnb h VAL 26 N 0.36 0.80 -0.28 1.22 2.07 -1.40 0.77 116.25 119.78 2jnb h VAL 26 Ca 0.02 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2jnb h VAL 26 Cb 0.95 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2jnb h VAL 26 CO 0.08 0.07 0.17 -0.61 0.02 0.00 0.00 177.57 177.31 2jnb h GLN 27 N -0.51 0.38 -0.00 1.57 4.15 -1.56 -1.55 115.11 117.59 2jnb h GLN 27 Ca -0.03 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.19 2jnb h GLN 27 Cb 0.38 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2jnb h GLN 27 CO 0.06 0.26 -0.80 1.96 -1.93 0.00 0.00 178.83 178.38 2jnb h GLN 28 N 0.39 0.04 -0.29 1.69 1.08 -1.23 -3.30 115.11 113.49 2jnb h GLN 28 Ca 0.10 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 2jnb h GLN 28 Cb -0.02 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 2jnb h GLN 28 CO -0.02 0.82 -0.25 1.03 -0.95 0.00 0.00 178.83 179.46 2jnb h SER 29 N 0.02 -0.81 -0.09 1.46 0.87 0.23 0.23 113.55 115.46 2jnb h SER 29 Ca -0.01 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2jnb h SER 29 Cb 1.41 0.39 -0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2jnb h SER 29 CO 0.11 -0.28 0.09 0.00 -0.53 0.00 0.00 176.83 176.22 2jnb h ASN 31 N 0.00 0.00 -0.38 0.00 -0.73 -0.67 -2.79 115.58 111.02 2jnb h ASN 31 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 2jnb h ASN 31 Cb 0.23 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2jnb h ASN 31 CO -0.00 0.06 0.00 -1.22 -0.37 0.00 0.00 177.43 175.90 2jnb n TYR 32 N -3.14 0.63 -1.75 0.67 4.02 0.44 -4.88 117.16 113.14 2jnb n TYR 32 Ca 0.02 -0.29 -0.17 0.00 -0.01 0.00 0.00 57.90 57.45 2jnb n TYR 32 Cb 0.42 -0.06 -0.05 0.00 -0.02 0.00 0.00 39.34 39.63 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 0.59 -1.26 -3.69 -0.72 5.02 -1.05 -4.96 118.16 112.09 2jnb n LYS 33 Ca 0.13 1.03 -0.11 0.00 -2.02 0.00 0.00 58.31 57.35 2jnb n LYS 33 Cb 0.41 -5.34 -0.09 0.00 -0.02 0.00 0.00 35.03 29.99 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 -3.89 0.53 0.29 1.97 -2.07 -1.19 -5.06 119.66 110.23 2jnb s GLN 34 Ca 0.00 0.84 -0.14 0.00 -1.82 0.00 0.00 55.36 54.24 2jnb s GLN 34 Cb 0.00 0.13 0.01 0.00 -1.09 0.00 0.00 33.01 32.06 2jnb s GLN 34 CO 0.00 -0.12 0.59 -0.48 -1.32 0.00 0.00 175.29 173.96 2jnb s LEU 35 N 1.02 0.18 -0.30 2.60 -0.00 -1.26 -3.75 118.68 117.18 2jnb s LEU 35 Ca -0.06 -0.93 -0.08 0.00 -0.00 0.00 0.00 54.13 53.06 2jnb s LEU 35 Cb -0.06 2.16 0.14 0.00 -0.00 0.00 0.00 46.19 48.44 2jnb s LEU 35 CO -0.09 -1.29 0.64 -0.60 -0.00 0.00 0.00 176.35 175.01 2jnb s ARG 36 N -3.65 0.58 -0.41 1.48 6.06 -1.12 -4.93 118.95 116.95 2jnb s ARG 36 Ca 0.19 1.35 0.04 0.00 -2.50 0.00 0.00 55.73 54.80 2jnb s ARG 36 Cb -0.03 0.80 0.17 0.00 0.06 0.00 0.00 34.95 35.95 2jnb s ARG 36 CO 0.10 -0.30 0.36 -1.59 -2.50 0.00 0.00 175.30 171.37 2jnb s LYS 37 N 2.89 0.85 -0.26 5.12 -2.85 -1.26 -0.23 119.74 123.99 2jnb s LYS 37 Ca 0.00 -1.82 -0.27 0.00 -1.00 0.00 0.00 55.97 52.88 2jnb s LYS 37 Cb -0.13 -1.22 0.16 0.00 -2.06 0.00 0.00 37.83 34.58 2jnb s LYS 37 CO -0.19 -1.35 1.20 0.20 0.10 0.00 0.00 175.35 175.31 2jnb s GLY 38 N 0.36 0.02 -0.00 0.59 0.00 0.36 -4.92 107.32 103.74 2jnb s GLY 38 Ca 0.30 2.85 -0.19 0.00 0.00 0.00 0.00 44.72 47.67 2jnb s GLY 38 CO -0.15 1.61 1.02 0.00 0.00 0.00 0.00 173.10 175.58 2jnb h ALA 39 N 3.23 -0.02 -0.04 3.20 0.00 -1.95 -2.98 119.26 120.69 2jnb h ALA 39 Ca -0.23 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 53.94 2jnb h ALA 39 Cb 1.18 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jnb h ALA 39 CO 0.19 0.46 -0.25 -0.91 0.00 0.00 0.00 179.25 178.74 2jnb h ASN 40 N -0.10 0.07 0.90 0.00 2.35 -1.96 -2.29 115.58 114.55 2jnb h ASN 40 Ca -0.14 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.47 2jnb h ASN 40 Cb 1.64 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.97 2jnb h ASN 40 CO 0.17 0.32 -0.57 -0.33 -1.65 0.00 0.00 177.43 175.37 2jnb h GLU 41 N 0.07 0.00 -0.92 0.81 5.08 -1.96 -3.22 114.58 114.43 2jnb h GLU 41 Ca 0.01 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 2jnb h GLU 41 Cb 0.48 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 2jnb h GLU 41 CO 0.03 0.57 0.52 0.00 -1.00 0.00 0.00 179.01 179.13 2jnb h ALA 42 N 1.43 1.45 -0.12 3.43 0.00 -1.25 0.25 119.26 124.45 2jnb h ALA 42 Ca -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2jnb h ALA 42 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jnb h ALA 42 CO 0.07 -0.05 -0.07 1.79 0.00 0.00 0.00 179.25 180.99 2jnb h THR 43 N 0.70 1.13 0.04 0.00 1.35 -1.66 -1.61 112.91 112.86 2jnb h THR 43 Ca 0.51 -0.53 -0.06 0.00 -0.55 0.00 0.00 66.41 65.78 2jnb h THR 43 Cb 0.74 1.12 0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2jnb h THR 43 CO -0.37 0.17 -0.27 0.50 -0.25 0.00 0.00 175.52 175.30 2jnb h LYS 44 N 0.17 0.09 -0.75 4.72 3.64 -0.79 -3.25 116.57 120.41 2jnb h LYS 44 Ca 0.04 -0.16 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2jnb h LYS 44 Cb 0.24 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 2jnb h LYS 44 CO 0.01 1.07 0.40 1.79 -2.27 0.00 0.00 179.45 180.45 2jnb h THR 45 N -0.81 0.87 -0.84 1.00 1.35 -0.65 -0.68 112.91 113.16 2jnb h THR 45 Ca -0.05 -0.23 0.05 0.00 -0.55 0.00 0.00 66.41 65.63 2jnb h THR 45 Cb 1.20 0.14 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 2jnb h THR 45 CO 0.04 0.12 0.55 0.25 -0.25 0.00 0.00 175.52 176.23 2jnb h LEU 46 N 0.67 0.86 -0.46 3.87 6.46 -1.42 -1.73 115.31 123.56 2jnb h LEU 46 Ca 0.37 -0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.97 2jnb h LEU 46 Cb 0.36 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2jnb h LEU 46 CO -0.26 0.57 -0.41 0.78 -0.62 0.00 0.00 178.44 178.50 2jnb h ASN 47 N 0.98 0.89 0.37 1.25 -0.26 -1.20 -2.85 115.58 114.77 2jnb h ASN 47 Ca 0.35 -0.41 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 2jnb h ASN 47 Cb 0.13 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2jnb h ASN 47 CO -0.12 1.18 -0.11 0.03 -1.06 0.00 0.00 177.43 177.36 2jnb h ARG 48 N 0.67 0.00 -1.86 0.81 3.08 -0.44 -3.47 114.38 113.18 2jnb h ARG 48 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2jnb h ARG 48 Cb 0.99 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.05 2jnb h ARG 48 CO 0.09 0.11 -0.08 0.41 -1.07 0.00 0.00 179.97 179.43 2jnb n GLY 49 N -0.69 0.63 0.41 0.04 0.00 -0.80 -4.97 105.19 99.81 2jnb n GLY 49 Ca -0.02 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.27 0.72 -2.94 -0.61 -6.64 -1.21 -5.01 119.36 101.41 2jnb n ILE 50 Ca -0.01 -0.95 -0.44 0.00 -1.77 0.00 0.00 62.75 59.59 2jnb n ILE 50 Cb 0.51 0.25 -0.04 0.00 -1.44 0.00 0.00 39.64 38.92 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 -1.78 6.25 -0.09 7.28 0.15 -1.26 -4.00 113.70 120.25 2jnb s SER 51 Ca 0.14 -1.28 0.12 0.00 0.70 0.00 0.00 55.95 55.63 2jnb s SER 51 Cb 0.13 -2.38 -0.17 0.00 -1.71 0.00 0.00 66.02 61.89 2jnb s SER 51 CO -0.00 -1.29 0.11 -0.62 1.20 0.00 0.00 173.24 172.63 2jnb n GLU 52 N 7.14 1.57 -4.00 5.44 1.02 -1.18 -4.98 120.64 125.64 2jnb n GLU 52 Ca -0.01 -0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 56.92 2jnb n GLU 52 Cb 0.45 -1.31 -0.16 0.00 -0.02 0.00 0.00 31.44 30.40 2jnb n GLU 52 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2jnb s PHE 53 N -2.46 0.38 -0.07 -0.32 2.19 -1.21 -4.99 117.98 111.50 2jnb s PHE 53 Ca -0.06 -0.05 -0.03 0.00 0.33 0.00 0.00 56.93 57.13 2jnb s PHE 53 Cb 0.05 -0.40 0.04 0.00 -1.31 0.00 0.00 43.02 41.40 2jnb s PHE 53 CO 0.52 -0.11 0.15 0.42 1.83 0.00 0.00 175.22 178.03 2jnb s ILE 54 N 0.74 -0.05 0.04 3.12 1.09 -1.26 -1.19 121.20 123.68 2jnb s ILE 54 Ca -0.08 0.17 0.01 0.00 -1.10 0.00 0.00 60.65 59.64 2jnb s ILE 54 Cb -0.11 -0.25 -0.03 0.00 -1.06 0.00 0.00 42.46 41.01 2jnb s ILE 54 CO -0.01 0.07 -0.05 0.68 -0.10 0.00 0.00 174.94 175.53 2jnb s VAL 55 N 1.11 0.31 0.21 2.92 -7.23 -1.21 -2.33 120.40 114.17 2jnb s VAL 55 Ca -0.09 -1.22 -0.11 0.00 -1.81 0.00 0.00 61.98 58.76 2jnb s VAL 55 Cb -0.11 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.10 2jnb s VAL 55 CO -0.06 -0.60 0.38 0.00 -0.31 0.00 0.00 175.10 174.51 2jnb s MET 56 N -2.17 1.36 -0.24 4.82 0.23 -0.97 -1.82 119.30 120.50 2jnb s MET 56 Ca -0.07 -1.24 -0.17 0.00 -1.03 0.00 0.00 55.69 53.18 2jnb s MET 56 Cb -0.05 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2jnb s MET 56 CO -0.03 -0.54 0.45 0.00 -2.03 0.00 0.00 175.02 172.87 2jnb s ALA 57 N -4.01 3.57 0.60 3.16 0.00 -1.20 -2.48 121.76 121.41 2jnb s ALA 57 Ca 0.21 -0.60 0.30 0.00 0.00 0.00 0.00 51.96 51.87 2jnb s ALA 57 Cb 0.02 -2.76 1.69 0.00 0.00 0.00 0.00 23.12 22.07 2jnb s ALA 57 CO 0.05 -0.55 2.08 0.00 0.00 0.00 0.00 175.76 177.35 2jnb h ALA 58 N 7.78 1.74 -0.60 0.00 0.00 -1.89 0.15 119.26 126.44 2jnb h ALA 58 Ca -0.32 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.19 2jnb h ALA 58 Cb 1.15 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 2jnb h ALA 58 CO 0.70 -0.32 -0.15 -3.47 0.00 0.00 0.00 179.25 176.01 2jnb n ASP 59 N -3.65 4.20 -4.48 0.00 2.03 -1.26 -4.59 116.55 108.79 2jnb n ASP 59 Ca 0.02 -3.78 -0.30 0.00 0.52 0.00 0.00 54.79 51.24 2jnb n ASP 59 Cb 0.35 -0.61 -0.12 0.00 -0.72 0.00 0.00 41.12 40.03 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 -3.47 2.67 0.10 -1.67 0.00 0.04 -5.07 121.76 114.36 2jnb s ALA 60 Ca 0.50 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2jnb s ALA 60 Cb 0.43 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2jnb s ALA 60 CO 0.01 0.59 -0.04 -1.21 0.00 0.00 0.00 175.76 175.11 2jnb s GLU 61 N -1.82 0.84 0.37 0.00 2.02 -1.26 -3.92 118.70 114.93 2jnb s GLU 61 Ca 0.17 -1.35 -0.27 0.00 0.02 0.00 0.00 54.97 53.54 2jnb s GLU 61 Cb -0.11 -0.10 -0.09 0.00 0.10 0.00 0.00 34.13 33.94 2jnb s GLU 61 CO 0.08 -0.07 1.20 -1.25 0.02 0.00 0.00 175.26 175.24 2jnb s PRO 62 N -3.88 4.21 0.09 0.39 0.04 -1.26 -4.88 135.00 129.70 2jnb s PRO 62 Ca 0.14 1.96 0.16 0.00 0.04 0.00 0.00 61.00 63.30 2jnb s PRO 62 Cb 0.06 -2.86 -0.11 0.00 0.04 0.00 0.00 34.50 31.63 2jnb s PRO 62 CO -0.04 -0.22 0.91 -0.07 0.04 0.00 0.00 177.00 177.62 2jnb h LEU 63 N 3.00 0.00 -0.16 -3.56 3.38 -1.99 -3.37 115.31 112.61 2jnb h LEU 63 Ca -0.49 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.52 2jnb h LEU 63 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2jnb h LEU 63 CO 0.64 0.57 -0.05 -0.33 0.09 0.00 0.00 178.44 179.36 2jnb h GLU 64 N 0.00 -0.01 -0.63 1.13 5.08 -1.99 -2.37 114.58 115.79 2jnb h GLU 64 Ca -0.14 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2jnb h GLU 64 Cb 1.56 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.73 2jnb h GLU 64 CO 0.05 -0.01 0.21 0.82 -1.00 0.00 0.00 179.01 179.08 2jnb h ILE 65 N -0.01 0.72 -0.05 3.13 2.04 -2.01 0.20 117.51 121.53 2jnb h ILE 65 Ca 0.08 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2jnb h ILE 65 Cb 0.13 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2jnb h ILE 65 CO -0.17 0.07 0.06 0.40 0.00 0.00 0.00 178.15 178.50 2jnb h ILE 66 N 0.37 0.45 0.00 -0.67 2.04 -1.61 0.22 117.51 118.32 2jnb h ILE 66 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2jnb h ILE 66 Cb 0.44 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2jnb h ILE 66 CO -0.35 0.00 -0.10 -0.11 0.00 0.00 0.00 178.15 177.59 2jnb n LEU 67 N -3.75 0.33 0.16 1.44 -0.00 0.69 -3.31 117.00 112.57 2jnb n LEU 67 Ca -0.02 0.45 0.04 0.00 -0.00 0.00 0.00 56.01 56.48 2jnb n LEU 67 Cb 0.15 -0.40 0.18 0.00 -0.00 0.00 0.00 43.42 43.34 2jnb n LEU 67 CO 0.26 -0.04 0.57 -0.74 -0.00 0.00 0.00 177.39 177.44 2jnb h HIS 68 N 0.00 0.00 0.59 1.96 2.76 -0.29 -3.32 115.15 116.86 2jnb h HIS 68 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2jnb h HIS 68 Cb 0.58 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 2jnb h HIS 68 CO 0.00 0.45 -0.50 -0.07 -1.30 0.00 0.00 177.93 176.51 2jnb h LEU 69 N 0.00 -1.34 -9.46 0.26 3.38 -1.61 -3.41 115.31 103.13 2jnb h LEU 69 Ca -0.00 0.10 -0.54 0.00 0.09 0.00 0.00 57.88 57.53 2jnb h LEU 69 Cb 1.16 0.43 0.01 0.00 0.09 0.00 0.00 40.66 42.35 2jnb h LEU 69 CO 0.06 -0.69 0.78 -2.16 0.09 0.00 0.00 178.44 176.52 2jnb s PRO 70 N -5.90 4.30 -0.13 1.13 0.04 -1.25 -4.96 135.00 128.23 2jnb s PRO 70 Ca -0.18 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 2jnb s PRO 70 Cb 0.04 -3.42 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 2jnb s PRO 70 CO 0.61 -0.51 0.06 -0.07 0.04 0.00 0.00 177.00 177.13 2jnb h LEU 71 N 7.60 0.00 0.00 -3.56 3.38 -1.87 -3.47 115.31 117.38 2jnb h LEU 71 Ca -0.40 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2jnb h LEU 71 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jnb h LEU 71 CO 0.88 0.78 0.00 0.18 0.09 0.00 0.00 178.44 180.37 2jnb n LEU 72 N -4.66 0.00 0.00 1.67 7.99 -1.26 -5.16 117.00 115.58 2jnb n LEU 72 Ca -0.08 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2jnb n LEU 72 Cb 0.24 -0.10 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 2jnb n LEU 72 CO 0.11 -0.26 0.22 0.00 -1.51 0.00 0.00 177.39 175.95 2jnb h GLU 74 N 0.00 0.28 0.00 0.00 9.09 -1.91 0.26 114.58 122.30 2jnb h GLU 74 Ca -0.06 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.33 2jnb h GLU 74 Cb 0.28 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2jnb h GLU 74 CO 0.08 0.19 -0.03 0.22 0.05 0.00 0.00 179.01 179.51 2jnb h ASP 75 N 0.29 0.00 -0.39 3.06 3.58 -1.95 0.27 116.42 121.28 2jnb h ASP 75 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2jnb h ASP 75 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2jnb h ASP 75 CO -0.10 0.03 0.00 1.17 -2.88 0.00 0.00 179.24 177.46 2jnb n LYS 76 N -4.24 2.82 -2.35 0.28 3.00 0.93 -4.96 118.16 113.64 2jnb n LYS 76 Ca -0.03 -1.79 -0.00 0.00 -0.00 0.00 0.00 58.31 56.49 2jnb n LYS 76 Cb 0.12 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2jnb n LYS 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jnb n ASN 77 N 0.57 -6.23 -3.33 3.14 3.02 0.08 -4.92 115.26 107.59 2jnb n ASN 77 Ca 0.16 1.00 -0.14 0.00 -0.03 0.00 0.00 54.58 55.58 2jnb n ASN 77 Cb 0.64 -4.05 -0.06 0.00 -0.61 0.00 0.00 39.78 35.70 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 -1.16 -0.44 0.46 2.41 1.01 -1.25 -4.98 120.40 116.44 2jnb s VAL 78 Ca 0.00 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 2jnb s VAL 78 Cb -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 2jnb s VAL 78 CO 0.55 -0.49 1.17 -2.16 0.00 0.00 0.00 175.10 174.16 2jnb s PRO 79 N 1.45 3.77 -0.30 2.72 0.04 -1.26 -4.69 135.00 136.73 2jnb s PRO 79 Ca 0.17 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.72 2jnb s PRO 79 Cb -0.13 -2.42 0.20 0.00 0.04 0.00 0.00 34.50 32.19 2jnb s PRO 79 CO -0.03 -0.55 1.43 -0.47 0.04 0.00 0.00 177.00 177.42 2jnb s TYR 80 N -1.54 -0.03 -0.09 0.56 6.14 -1.26 -4.67 117.35 116.46 2jnb s TYR 80 Ca 0.63 0.05 -0.06 0.00 0.64 0.00 0.00 57.07 58.33 2jnb s TYR 80 Cb -0.29 0.49 0.03 0.00 0.42 0.00 0.00 41.96 42.62 2jnb s TYR 80 CO 0.35 -0.02 0.23 0.08 0.64 0.00 0.00 175.55 176.83 2jnb s VAL 81 N -0.44 -0.02 0.49 3.14 1.01 -0.99 -4.80 120.40 118.81 2jnb s VAL 81 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2jnb s VAL 81 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2jnb s VAL 81 CO -0.13 0.03 0.74 -0.36 0.00 0.00 0.00 175.10 175.38 2jnb s PHE 82 N 0.67 3.21 0.29 5.22 0.40 -1.26 -2.30 117.98 124.20 2jnb s PHE 82 Ca -0.05 0.33 -0.03 0.00 -0.60 0.00 0.00 56.93 56.59 2jnb s PHE 82 Cb -0.06 -2.46 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 2jnb s PHE 82 CO -0.04 -0.52 0.37 0.14 0.70 0.00 0.00 175.22 175.87 2jnb s VAL 83 N -2.69 0.00 -0.35 -0.44 -7.23 -1.03 -3.42 120.40 105.24 2jnb s VAL 83 Ca 0.50 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 59.02 2jnb s VAL 83 Cb -0.10 -2.50 0.45 0.00 0.56 0.00 0.00 36.38 34.79 2jnb s VAL 83 CO 0.40 0.00 1.20 -2.11 -0.31 0.00 0.00 175.10 174.28 2jnb n ARG 84 N -0.47 3.53 -3.64 4.82 1.85 -1.26 -2.88 116.66 118.61 2jnb n ARG 84 Ca 0.02 -4.23 -0.09 0.00 -1.00 0.00 0.00 57.85 52.55 2jnb n ARG 84 Cb 0.63 -2.27 -0.07 0.00 -1.05 0.00 0.00 32.46 29.70 2jnb n ARG 84 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jnb s SER 85 N -3.50 -0.78 -0.05 2.89 0.15 -1.26 -5.05 113.70 106.10 2jnb s SER 85 Ca 0.51 1.36 0.02 0.00 0.70 0.00 0.00 55.95 58.53 2jnb s SER 85 Cb 0.41 1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 66.03 2jnb s SER 85 CO -0.03 -0.22 -0.03 2.29 1.20 0.00 0.00 173.24 176.45 2jnb n LYS 86 N 3.44 1.16 -0.08 5.44 2.85 -1.26 -4.32 118.16 125.38 2jnb n LYS 86 Ca -0.17 0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 56.97 2jnb n LYS 86 Cb 0.57 -1.12 -0.04 0.00 -0.65 0.00 0.00 35.03 33.79 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 0.00 0.79 -0.08 -1.58 4.20 -1.97 -3.03 115.11 113.44 2jnb h GLN 87 Ca -0.13 -0.47 -0.13 0.00 0.06 0.00 0.00 58.65 57.98 2jnb h GLN 87 Cb 1.23 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 2jnb h GLN 87 CO -0.01 1.10 -0.52 0.00 -0.67 0.00 0.00 178.83 178.73 2jnb h ALA 88 N 0.68 0.98 0.74 3.87 0.00 -1.99 -2.18 119.26 121.36 2jnb h ALA 88 Ca 0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2jnb h ALA 88 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jnb h ALA 88 CO 0.10 0.67 -0.39 1.25 0.00 0.00 0.00 179.25 180.88 2jnb h LEU 89 N 0.18 -0.94 -0.69 0.00 5.85 -1.74 -1.69 115.31 116.28 2jnb h LEU 89 Ca 0.00 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2jnb h LEU 89 Cb 0.97 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2jnb h LEU 89 CO 0.08 -0.64 0.13 1.23 -0.34 0.00 0.00 178.44 178.90 2jnb h GLY 90 N -1.04 1.22 0.38 3.75 0.00 -1.58 -3.06 103.07 102.74 2jnb h GLY 90 Ca -0.10 -0.80 0.04 0.00 0.00 0.00 0.00 47.33 46.47 2jnb h GLY 90 CO 0.14 0.74 -0.21 3.21 0.00 0.00 0.00 176.54 180.43 2jnb h ARG 91 N 1.06 -0.26 -0.45 4.80 3.08 -1.31 -2.08 114.38 119.22 2jnb h ARG 91 Ca 0.21 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.37 2jnb h ARG 91 Cb 0.43 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 2jnb h ARG 91 CO 0.01 -0.18 -0.05 0.00 -1.07 0.00 0.00 179.97 178.68 2jnb h ALA 92 N 0.70 0.37 -0.21 0.04 0.00 -1.25 0.18 119.26 119.09 2jnb h ALA 92 Ca 0.09 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2jnb h ALA 92 Cb 0.41 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2jnb h ALA 92 CO -0.27 -0.42 0.20 0.00 0.00 0.00 0.00 179.25 178.77 2jnb n GLY 94 N -1.45 1.05 3.89 0.00 0.00 0.64 -4.84 105.19 104.48 2jnb n GLY 94 Ca 0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2jnb n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jnb s VAL 95 N -2.00 5.18 -0.53 1.61 0.11 -0.86 -5.01 120.40 118.89 2jnb s VAL 95 Ca 0.00 -0.52 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2jnb s VAL 95 Cb 0.00 -3.54 0.56 0.00 -1.53 0.00 0.00 36.38 31.87 2jnb s VAL 95 CO 0.00 0.11 1.92 -1.20 -3.33 0.00 0.00 175.10 172.60 2jnb n SER 96 N 0.23 5.44 -3.70 3.54 7.64 -1.26 -4.17 113.62 121.33 2jnb n SER 96 Ca -0.06 -3.70 -0.10 0.00 1.01 0.00 0.00 58.87 56.02 2jnb n SER 96 Cb 0.51 -0.87 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.54 1.05 0.35 1.43 0.52 -1.26 -5.15 118.95 112.35 2jnb s ARG 97 Ca 0.60 -0.79 -0.27 0.00 -0.52 0.00 0.00 55.73 54.74 2jnb s ARG 97 Cb 0.49 0.44 -0.09 0.00 0.52 0.00 0.00 34.95 36.31 2jnb s ARG 97 CO 0.05 -0.40 1.21 -1.25 0.02 0.00 0.00 175.30 174.93 2jnb s PRO 98 N -3.83 4.28 0.10 3.54 0.04 -1.26 -4.70 135.00 133.17 2jnb s PRO 98 Ca 0.04 1.98 0.10 0.00 0.04 0.00 0.00 61.00 63.17 2jnb s PRO 98 Cb 0.02 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 2jnb s PRO 98 CO -0.11 -0.17 -0.25 0.08 0.04 0.00 0.00 177.00 176.60 2jnb s VAL 99 N -1.25 2.06 -0.10 -0.36 1.01 -1.26 -5.04 120.40 115.46 2jnb s VAL 99 Ca 0.51 -1.58 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2jnb s VAL 99 Cb -0.35 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.14 2jnb s VAL 99 CO 0.45 0.13 -0.05 2.30 0.00 0.00 0.00 175.10 177.93 2jnb n ILE 100 N 1.23 0.59 -4.07 2.22 -5.35 -1.26 -4.75 119.36 107.97 2jnb n ILE 100 Ca -0.18 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 61.90 2jnb n ILE 100 Cb 0.53 -0.84 -0.13 0.00 -1.74 0.00 0.00 39.64 37.46 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 -2.21 0.43 0.16 -1.28 0.00 -1.26 -3.24 121.76 114.35 2jnb s ALA 101 Ca -0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 2jnb s ALA 101 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2jnb s ALA 101 CO 0.27 0.01 0.06 0.00 0.00 0.00 0.00 175.76 176.10 2jnb s SER 103 N -3.10 -0.19 -0.12 0.00 0.01 0.68 -3.35 113.70 107.63 2jnb s SER 103 Ca 0.27 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.50 2jnb s SER 103 Cb 0.07 0.35 0.03 0.00 0.21 0.00 0.00 66.02 66.69 2jnb s SER 103 CO 0.04 -0.55 -0.04 -0.69 0.41 0.00 0.00 173.24 172.41 2jnb s VAL 104 N -1.99 0.81 -0.23 3.43 1.01 -0.34 -2.78 120.40 120.30 2jnb s VAL 104 Ca -0.09 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2jnb s VAL 104 Cb -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 2jnb s VAL 104 CO 0.00 0.25 0.76 0.42 0.00 0.00 0.00 175.10 176.54 2jnb s THR 105 N 1.79 4.90 0.55 3.92 -4.23 -1.26 -3.11 115.64 118.20 2jnb s THR 105 Ca 0.04 1.43 -0.21 0.00 -1.18 0.00 0.00 61.69 61.77 2jnb s THR 105 Cb -0.13 -4.06 -0.05 0.00 1.34 0.00 0.00 72.50 69.61 2jnb s THR 105 CO -0.07 -0.02 1.27 -0.51 -0.54 0.00 0.00 174.62 174.75 2jnb s ILE 106 N 2.60 2.43 -0.39 2.99 2.07 -1.26 -5.00 121.20 124.65 2jnb s ILE 106 Ca 0.32 0.30 -0.05 0.00 -1.41 0.00 0.00 60.65 59.82 2jnb s ILE 106 Cb -0.15 -3.14 0.09 0.00 0.13 0.00 0.00 42.46 39.38 2jnb s ILE 106 CO 0.08 -0.03 0.18 -0.75 -1.91 0.00 0.00 174.94 172.52 2jnb s LYS 107 N -3.04 2.30 0.05 3.50 2.47 -1.26 -5.06 119.74 118.70 2jnb s LYS 107 Ca 0.73 -1.58 -0.30 0.00 -1.56 0.00 0.00 55.97 53.26 2jnb s LYS 107 Cb -0.35 -3.56 -0.09 0.00 -1.46 0.00 0.00 37.83 32.36 2jnb s LYS 107 CO 0.40 -0.93 1.96 0.39 0.16 0.00 0.00 175.35 177.32 2jnb n GLU 108 N 4.71 2.86 -1.54 4.03 1.02 -1.26 -3.02 120.64 127.44 2jnb n GLU 108 Ca -0.07 1.05 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 2jnb n GLU 108 Cb 0.42 -2.99 0.00 0.00 -0.02 0.00 0.00 31.44 28.85 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jnb n GLY 109 N 4.51 0.61 3.26 0.62 0.00 -1.26 -5.10 105.19 107.83 2jnb n GLY 109 Ca 0.20 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.74 -0.06 0.43 1.61 0.01 -1.17 -5.04 113.70 106.75 2jnb s SER 110 Ca 0.00 -0.48 0.20 0.00 1.31 0.00 0.00 55.95 56.98 2jnb s SER 110 Cb 0.00 0.41 0.99 0.00 0.21 0.00 0.00 66.02 67.62 2jnb s SER 110 CO 0.00 -0.79 1.90 0.06 0.41 0.00 0.00 173.24 174.81 2jnb h GLN 111 N 2.55 0.00 -0.40 12.44 3.07 -1.99 -2.70 115.11 128.08 2jnb h GLN 111 Ca -0.34 0.00 0.12 0.00 0.09 0.00 0.00 58.65 58.52 2jnb h GLN 111 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.77 2jnb h GLN 111 CO 0.51 0.27 0.31 -0.07 0.09 0.00 0.00 178.83 179.94 2jnb h LEU 112 N 0.00 0.00 -1.99 0.06 3.38 -1.96 -0.31 115.31 114.49 2jnb h LEU 112 Ca -0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2jnb h LEU 112 Cb 0.60 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2jnb h LEU 112 CO 0.03 0.00 0.54 0.07 0.09 0.00 0.00 178.44 179.17 2jnb h LYS 113 N 0.00 0.00 0.09 1.13 5.09 -1.75 0.25 116.57 121.37 2jnb h LYS 113 Ca 0.19 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.67 2jnb h LYS 113 Cb 0.81 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.13 2jnb h LYS 113 CO -0.00 0.00 -1.25 0.37 -2.09 0.00 0.00 179.45 176.48 2jnb h GLN 114 N 0.00 0.18 0.30 0.07 4.15 -1.27 -2.80 115.11 115.75 2jnb h GLN 114 Ca 0.34 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2jnb h GLN 114 Cb 1.41 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.22 2jnb h GLN 114 CO -0.00 1.11 -0.15 1.96 -1.93 0.00 0.00 178.83 179.82 2jnb h GLN 115 N 0.05 -0.39 -0.39 1.69 1.08 -0.66 -1.67 115.11 114.82 2jnb h GLN 115 Ca -0.13 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.14 2jnb h GLN 115 Cb 1.93 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 29.41 2jnb h GLN 115 CO 0.17 -0.10 0.16 0.82 -0.95 0.00 0.00 178.83 178.93 2jnb h ILE 116 N -1.00 0.93 -0.22 2.54 2.04 -1.11 -2.07 117.51 118.61 2jnb h ILE 116 Ca -0.04 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2jnb h ILE 116 Cb 0.47 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2jnb h ILE 116 CO 0.07 0.06 0.13 -0.61 0.00 0.00 0.00 178.15 177.80 2jnb h GLN 117 N 0.34 0.27 -0.30 2.37 4.15 -1.60 0.23 115.11 120.58 2jnb h GLN 117 Ca 0.17 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.64 2jnb h GLN 117 Cb 0.12 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.68 2jnb h GLN 117 CO -0.15 0.18 -0.17 1.03 -1.93 0.00 0.00 178.83 177.79 2jnb h SER 118 N 0.28 -0.55 0.27 -0.69 0.87 -0.92 -1.07 113.55 111.73 2jnb h SER 118 Ca 0.09 0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 2jnb h SER 118 Cb -0.01 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2jnb h SER 118 CO -0.04 -0.20 -0.43 0.40 -0.53 0.00 0.00 176.83 176.03 2jnb h ILE 119 N -0.13 1.32 -0.58 2.23 2.04 -1.18 -3.13 117.51 118.08 2jnb h ILE 119 Ca 0.16 -1.56 0.11 0.00 1.00 0.00 0.00 64.86 64.56 2jnb h ILE 119 Cb 0.37 1.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 2jnb h ILE 119 CO -0.38 0.46 0.11 -0.61 0.00 0.00 0.00 178.15 177.74 2jnb h GLN 120 N 0.17 0.24 -0.80 2.37 4.15 0.77 0.16 115.11 122.16 2jnb h GLN 120 Ca 0.01 -0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.65 2jnb h GLN 120 Cb 0.84 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2jnb h GLN 120 CO 0.07 0.16 0.58 1.96 -1.93 0.00 0.00 178.83 179.66 2jnb h GLN 121 N 0.24 0.01 -0.05 1.69 1.08 -1.39 0.19 115.11 116.89 2jnb h GLN 121 Ca 0.30 -0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.28 2jnb h GLN 121 Cb 0.45 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2jnb h GLN 121 CO -0.40 0.01 -0.88 0.66 -0.95 0.00 0.00 178.83 177.27 2jnb h SER 122 N 0.01 0.68 -0.36 1.46 4.64 -0.84 -3.23 113.55 115.91 2jnb h SER 122 Ca 0.38 -0.50 0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2jnb h SER 122 Cb 1.51 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 2jnb h SER 122 CO -0.01 1.29 0.23 0.40 -0.87 0.00 0.00 176.83 177.86 2jnb h ILE 123 N 0.34 1.07 -0.68 0.95 2.04 -0.30 -2.61 117.51 118.31 2jnb h ILE 123 Ca -0.07 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.72 2jnb h ILE 123 Cb 1.50 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.08 2jnb h ILE 123 CO 0.16 0.08 0.31 -0.08 0.00 0.00 0.00 178.15 178.63 2jnb h GLU 124 N 0.46 0.52 -0.45 2.37 4.81 -1.52 0.20 114.58 120.97 2jnb h GLU 124 Ca 0.14 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2jnb h GLU 124 Cb -0.03 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.15 2jnb h GLU 124 CO -0.04 0.34 -0.05 0.00 -0.73 0.00 0.00 179.01 178.53 2jnb h ARG 125 N 0.54 0.06 -0.18 1.92 3.08 -1.49 -0.68 114.38 117.64 2jnb h ARG 125 Ca 0.34 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.29 2jnb h ARG 125 Cb 0.38 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2jnb h ARG 125 CO -0.28 0.04 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.32 2jnb h LEU 126 N 0.06 0.54 -7.09 3.04 -0.00 -1.23 -3.40 115.31 107.23 2jnb h LEU 126 Ca 0.22 -0.52 -0.59 0.00 -0.00 0.00 0.00 57.88 56.99 2jnb h LEU 126 Cb 0.33 -0.15 -0.40 0.00 -0.00 0.00 0.00 40.66 40.44 2jnb h LEU 126 CO -0.41 0.96 -0.76 -0.22 -0.00 0.00 0.00 178.44 178.02 2jnb s LEU 127 N -8.93 2.33 0.00 1.67 2.96 0.63 -4.77 118.68 112.57 2jnb s LEU 127 Ca -0.13 -1.94 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 2jnb s LEU 127 Cb 0.06 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.86 2jnb s LEU 127 CO 0.79 -0.37 0.32 0.52 -1.32 0.00 0.00 176.35 176.29