#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 -0.08 -0.00 1.12 -1.32 -1.26 -5.06 115.64 109.05 2jnb s THR 2 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2jnb s THR 2 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2jnb s THR 2 CO 0.00 0.00 0.87 1.21 -2.21 0.00 0.00 174.62 174.49 2jnb n GLU 3 N 4.20 0.01 -2.49 7.08 2.13 -1.26 -5.09 120.64 125.22 2jnb n GLU 3 Ca -0.10 -0.87 -0.04 0.00 0.66 0.00 0.00 57.16 56.81 2jnb n GLU 3 Cb 0.56 0.50 -0.03 0.00 0.27 0.00 0.00 31.44 32.73 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jnb n ALA 4 N -0.01 -3.61 -2.71 4.31 0.00 -1.26 -5.05 120.51 112.18 2jnb n ALA 4 Ca -0.24 1.81 -0.05 0.00 0.00 0.00 0.00 53.44 54.95 2jnb n ALA 4 Cb 0.64 -3.53 0.05 0.00 0.00 0.00 0.00 19.45 16.60 2jnb n ALA 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jnb n ASP 5 N 1.31 -2.30 -2.30 0.00 2.03 -1.26 -5.02 116.55 109.02 2jnb n ASP 5 Ca -0.30 -2.40 -0.33 0.00 0.52 0.00 0.00 54.79 52.29 2jnb n ASP 5 Cb 0.46 1.31 0.10 0.00 -0.72 0.00 0.00 41.12 42.27 2jnb n ASP 5 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2jnb n VAL 6 N 2.01 3.54 -3.94 5.18 0.31 -1.26 -4.93 118.33 119.23 2jnb n VAL 6 Ca 0.09 -2.71 -0.08 0.00 -0.01 0.00 0.00 64.34 61.63 2jnb n VAL 6 Cb 0.64 -1.02 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 2jnb n VAL 6 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jnb s ASN 7 N -1.70 0.25 0.14 4.52 2.20 -1.26 -5.06 114.94 114.02 2jnb s ASN 7 Ca 0.63 -0.78 -0.11 0.00 -0.94 0.00 0.00 52.86 51.65 2jnb s ASN 7 Cb 0.50 0.29 -0.05 0.00 -2.00 0.00 0.00 41.25 39.99 2jnb s ASN 7 CO 0.02 -0.68 1.46 1.55 -2.94 0.00 0.00 177.10 176.51 2jnb h PRO 8 N 2.89 0.91 -4.00 3.55 0.13 -1.92 -3.47 132.00 130.09 2jnb h PRO 8 Ca -0.34 -0.48 -0.37 0.00 -0.87 0.00 0.00 66.00 63.94 2jnb h PRO 8 Cb 1.18 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jnb h PRO 8 CO 0.60 1.13 -0.51 1.17 -0.23 0.00 0.00 178.00 180.16 2jnb n LYS 9 N -4.09 -3.02 -2.42 0.86 4.81 -1.26 -1.06 118.16 111.98 2jnb n LYS 9 Ca -0.02 0.80 -0.14 0.00 -0.87 0.00 0.00 58.31 58.08 2jnb n LYS 9 Cb 0.54 -5.52 -0.01 0.00 0.02 0.00 0.00 35.03 30.06 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 -2.74 -0.74 -2.31 3.14 0.00 -1.26 -4.94 120.51 111.66 2jnb n ALA 10 Ca -0.15 0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 2jnb n ALA 10 Cb 0.63 -1.62 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.68 1.53 0.92 0.00 1.51 -0.23 -4.28 117.35 114.12 2jnb s TYR 11 Ca 0.00 -0.65 -0.12 0.00 -1.01 0.00 0.00 57.07 55.30 2jnb s TYR 11 Cb 0.00 -0.73 0.14 0.00 -0.11 0.00 0.00 41.96 41.26 2jnb s TYR 11 CO 0.00 0.25 1.09 -1.25 -1.11 0.00 0.00 175.55 174.53 2jnb s PRO 12 N -3.68 1.09 0.12 -1.71 0.04 -1.26 -4.89 135.00 124.71 2jnb s PRO 12 Ca 0.20 0.76 0.08 0.00 0.04 0.00 0.00 61.00 62.08 2jnb s PRO 12 Cb 0.01 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 2jnb s PRO 12 CO 0.04 -2.34 -0.19 -1.17 0.04 0.00 0.00 177.00 173.39 2jnb s LEU 13 N -6.27 2.35 -0.09 -3.56 2.96 -1.26 -3.89 118.68 108.92 2jnb s LEU 13 Ca 0.64 -0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2jnb s LEU 13 Cb -0.18 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 2jnb s LEU 13 CO 0.57 -0.00 -0.03 0.00 -1.32 0.00 0.00 176.35 175.57 2jnb s ALA 14 N -1.54 3.14 1.11 5.97 0.00 -1.25 -5.07 121.76 124.11 2jnb s ALA 14 Ca 0.09 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 2jnb s ALA 14 Cb -0.08 -1.41 0.20 0.00 0.00 0.00 0.00 23.12 21.83 2jnb s ALA 14 CO 0.05 0.53 0.70 -0.40 0.00 0.00 0.00 175.76 176.63 2jnb n ASP 15 N 2.37 -1.66 0.28 0.00 5.75 -1.26 -4.60 116.55 117.42 2jnb n ASP 15 Ca -0.18 -0.02 0.13 0.00 -0.01 0.00 0.00 54.79 54.71 2jnb n ASP 15 Cb 0.53 -1.20 0.80 0.00 -1.03 0.00 0.00 41.12 40.22 2jnb n ASP 15 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jnb h ALA 16 N -2.31 1.48 -0.01 2.12 0.00 -1.99 -1.60 119.26 116.96 2jnb h ALA 16 Ca -0.55 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.04 2jnb h ALA 16 Cb 1.33 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.13 2jnb h ALA 16 CO 0.44 0.07 -1.02 1.25 0.00 0.00 0.00 179.25 179.99 2jnb h HIS 17 N 0.00 1.02 -0.12 0.00 6.17 -2.00 -2.59 115.15 117.63 2jnb h HIS 17 Ca -0.00 -0.55 -0.04 0.00 0.71 0.00 0.00 60.37 60.49 2jnb h HIS 17 Cb 0.15 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 29.96 2jnb h HIS 17 CO 0.00 1.39 -0.08 -0.07 0.71 0.00 0.00 177.93 179.87 2jnb h LEU 18 N 0.39 0.29 -1.82 0.26 -0.00 -1.72 -3.03 115.31 109.68 2jnb h LEU 18 Ca -0.12 -0.44 -0.03 0.00 -0.00 0.00 0.00 57.88 57.29 2jnb h LEU 18 Cb 1.67 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 42.25 2jnb h LEU 18 CO 0.20 0.67 -0.14 0.71 -0.00 0.00 0.00 178.44 179.88 2jnb h THR 19 N -0.09 0.89 -0.69 0.22 1.35 -1.41 -2.66 112.91 110.50 2jnb h THR 19 Ca 0.02 -0.52 0.10 0.00 -0.55 0.00 0.00 66.41 65.46 2jnb h THR 19 Cb 0.57 1.30 -0.07 0.00 -1.73 0.00 0.00 68.15 68.22 2jnb h THR 19 CO 0.02 0.14 0.33 0.50 -0.25 0.00 0.00 175.52 176.26 2jnb h LYS 20 N 0.00 0.54 -0.06 4.72 3.64 -1.33 -0.15 116.57 123.93 2jnb h LYS 20 Ca -0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 2jnb h LYS 20 Cb 0.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2jnb h LYS 20 CO 0.02 0.36 -0.66 0.87 -2.27 0.00 0.00 179.45 177.77 2jnb h LYS 21 N 0.56 0.27 -0.47 1.90 6.56 -1.55 -3.20 116.57 120.64 2jnb h LYS 21 Ca 0.34 -0.20 -0.03 0.00 -1.06 0.00 0.00 60.65 59.70 2jnb h LYS 21 Cb 0.38 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.06 2jnb h LYS 21 CO -0.28 0.83 0.18 1.25 -2.06 0.00 0.00 179.45 179.37 2jnb h LEU 22 N 0.19 0.65 -2.06 2.94 5.85 -1.12 -2.20 115.31 119.56 2jnb h LEU 22 Ca -0.01 -0.18 0.11 0.00 0.84 0.00 0.00 57.88 58.64 2jnb h LEU 22 Cb 1.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2jnb h LEU 22 CO 0.10 0.65 0.35 -0.07 -0.34 0.00 0.00 178.44 179.13 2jnb h LEU 23 N 0.61 0.00 -0.08 2.25 3.38 -1.08 0.97 115.31 121.36 2jnb h LEU 23 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 2jnb h LEU 23 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2jnb h LEU 23 CO -0.01 0.00 -1.04 -0.78 0.09 0.00 0.00 178.44 176.70 2jnb h ASP 24 N 0.00 0.52 -0.08 -0.43 3.58 -1.47 -3.13 116.42 115.41 2jnb h ASP 24 Ca 0.18 -0.46 -0.07 0.00 0.42 0.00 0.00 57.03 57.11 2jnb h ASP 24 Cb 0.88 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 2jnb h ASP 24 CO -0.00 1.28 -0.14 0.25 -2.88 0.00 0.00 179.24 177.75 2jnb h LEU 25 N 0.19 0.40 0.19 2.28 7.12 -0.64 1.00 115.31 125.86 2jnb h LEU 25 Ca -0.10 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 2jnb h LEU 25 Cb 1.70 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 2jnb h LEU 25 CO 0.18 0.57 -0.09 0.58 -0.13 0.00 0.00 178.44 179.55 2jnb h VAL 26 N 0.39 0.91 -0.34 1.05 2.07 -1.47 -1.22 116.25 117.64 2jnb h VAL 26 Ca 0.07 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 2jnb h VAL 26 Cb 0.48 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2jnb h VAL 26 CO 0.03 0.15 -0.01 -0.61 0.02 0.00 0.00 177.57 177.15 2jnb h GLN 27 N -0.61 0.60 -0.16 1.57 4.15 -1.48 -2.83 115.11 116.34 2jnb h GLN 27 Ca -0.03 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 2jnb h GLN 27 Cb 0.45 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 2jnb h GLN 27 CO 0.04 0.73 0.08 1.96 -1.93 0.00 0.00 178.83 179.72 2jnb h GLN 28 N 0.40 0.21 -0.28 1.69 4.20 -0.85 -2.72 115.11 117.76 2jnb h GLN 28 Ca 0.09 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.85 2jnb h GLN 28 Cb 0.47 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.13 2jnb h GLN 28 CO 0.02 0.16 -0.18 1.03 -0.67 0.00 0.00 178.83 179.19 2jnb h SER 29 N 0.22 -0.58 -0.27 1.46 0.87 -0.95 0.11 113.55 114.41 2jnb h SER 29 Ca 0.06 0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 2jnb h SER 29 Cb 0.01 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2jnb h SER 29 CO -0.01 -0.21 0.21 0.00 -0.53 0.00 0.00 176.83 176.29 2jnb h ASN 31 N 0.00 0.00 -0.38 0.00 2.35 -0.83 -2.81 115.58 113.91 2jnb h ASN 31 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2jnb h ASN 31 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2jnb h ASN 31 CO -0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 2jnb n TYR 32 N -2.75 0.82 -1.31 1.19 4.02 0.93 -4.87 117.16 115.19 2jnb n TYR 32 Ca 0.03 -0.33 -0.11 0.00 -0.01 0.00 0.00 57.90 57.47 2jnb n TYR 32 Cb 0.37 -0.14 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 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 0.57 -1.34 -3.79 -0.72 5.02 -1.06 -4.95 118.16 111.88 2jnb n LYS 33 Ca 0.15 0.85 -0.14 0.00 -2.02 0.00 0.00 58.31 57.15 2jnb n LYS 33 Cb 0.54 -5.07 -0.15 0.00 -0.02 0.00 0.00 35.03 30.33 2jnb n LYS 33 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2jnb s GLN 34 N -2.78 0.04 0.30 1.97 0.74 -1.20 -5.06 119.66 113.66 2jnb s GLN 34 Ca 0.00 0.21 -0.17 0.00 0.05 0.00 0.00 55.36 55.45 2jnb s GLN 34 Cb 0.00 -0.13 0.02 0.00 1.10 0.00 0.00 33.01 34.00 2jnb s GLN 34 CO 0.00 -0.12 0.67 -0.48 -0.55 0.00 0.00 175.29 174.82 2jnb s LEU 35 N 0.76 -0.03 -0.30 3.68 -0.00 -1.26 -3.43 118.68 118.10 2jnb s LEU 35 Ca -0.06 -0.82 -0.10 0.00 -0.00 0.00 0.00 54.13 53.15 2jnb s LEU 35 Cb -0.08 2.50 0.16 0.00 -0.00 0.00 0.00 46.19 48.77 2jnb s LEU 35 CO -0.03 -1.37 0.80 -0.60 -0.00 0.00 0.00 176.35 175.15 2jnb s ARG 36 N -3.58 0.43 -0.42 1.48 6.06 -1.24 -4.97 118.95 116.71 2jnb s ARG 36 Ca 0.15 0.96 0.02 0.00 -2.50 0.00 0.00 55.73 54.36 2jnb s ARG 36 Cb -0.04 0.56 0.15 0.00 0.06 0.00 0.00 34.95 35.68 2jnb s ARG 36 CO 0.09 -0.27 0.27 0.15 -2.50 0.00 0.00 175.30 173.04 2jnb s LYS 37 N 2.76 1.03 -0.29 5.12 3.01 -1.26 -0.12 119.74 129.98 2jnb s LYS 37 Ca 0.02 -1.90 -0.16 0.00 -1.01 0.00 0.00 55.97 52.92 2jnb s LYS 37 Cb -0.11 -1.84 0.17 0.00 -1.01 0.00 0.00 37.83 35.05 2jnb s LYS 37 CO -0.18 -1.24 1.09 0.20 0.51 0.00 0.00 175.35 175.73 2jnb s GLY 38 N 0.39 0.24 0.12 -3.33 0.00 0.60 -4.95 107.32 100.39 2jnb s GLY 38 Ca 0.22 3.40 -0.10 0.00 0.00 0.00 0.00 44.72 48.25 2jnb s GLY 38 CO -0.06 2.63 1.34 0.00 0.00 0.00 0.00 173.10 177.02 2jnb h ALA 39 N 5.62 0.39 0.00 3.20 0.00 -1.94 -2.16 119.26 124.37 2jnb h ALA 39 Ca -0.27 -0.60 -0.26 0.00 0.00 0.00 0.00 54.91 53.78 2jnb h ALA 39 Cb 1.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2jnb h ALA 39 CO 0.21 0.70 -1.61 -0.97 0.00 0.00 0.00 179.25 177.58 2jnb h ASN 40 N 0.48 0.00 0.77 0.00 -0.73 -1.94 -3.35 115.58 110.81 2jnb h ASN 40 Ca -0.04 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.02 2jnb h ASN 40 Cb 1.37 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.95 2jnb h ASN 40 CO 0.15 0.89 -0.50 -0.33 -0.37 0.00 0.00 177.43 177.27 2jnb h GLU 41 N 0.00 0.00 -0.12 6.67 5.08 -1.94 -2.98 114.58 121.29 2jnb h GLU 41 Ca -0.25 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 2jnb h GLU 41 Cb 1.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.14 2jnb h GLU 41 CO 0.07 0.50 0.15 0.00 -1.00 0.00 0.00 179.01 178.73 2jnb h ALA 42 N 1.50 1.69 -0.19 3.43 0.00 -1.51 -0.85 119.26 123.33 2jnb h ALA 42 Ca -0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2jnb h ALA 42 Cb 1.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2jnb h ALA 42 CO 0.06 -0.21 0.23 1.79 0.00 0.00 0.00 179.25 181.12 2jnb h THR 43 N 0.00 0.41 0.04 0.00 1.35 -1.73 -1.46 112.91 111.52 2jnb h THR 43 Ca 0.06 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.79 2jnb h THR 43 Cb 0.35 0.81 0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2jnb h THR 43 CO -0.00 0.00 -0.51 0.11 -0.25 0.00 0.00 175.52 174.87 2jnb h LYS 44 N 0.00 0.27 0.06 4.72 1.57 -1.38 -3.06 116.57 118.75 2jnb h LYS 44 Ca 0.09 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2jnb h LYS 44 Cb 0.55 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 2jnb h LYS 44 CO -0.00 1.08 -0.42 1.79 -0.57 0.00 0.00 179.45 181.33 2jnb h THR 45 N -0.38 0.15 -0.73 -0.16 1.35 -1.39 0.15 112.91 111.91 2jnb h THR 45 Ca -0.08 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.89 2jnb h THR 45 Cb 1.29 0.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.82 2jnb h THR 45 CO 0.10 0.00 0.48 0.17 -0.25 0.00 0.00 175.52 176.02 2jnb h LEU 46 N -0.62 0.53 -0.76 3.87 8.10 -1.64 -0.65 115.31 124.14 2jnb h LEU 46 Ca 0.03 0.02 -0.08 0.00 0.11 0.00 0.00 57.88 57.95 2jnb h LEU 46 Cb 0.67 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.77 2jnb h LEU 46 CO -0.28 0.31 0.02 -1.13 -4.11 0.00 0.00 178.44 173.25 2jnb h ASN 47 N 0.59 0.93 0.74 0.17 -1.24 -1.10 -2.45 115.58 113.23 2jnb h ASN 47 Ca 0.34 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 2jnb h ASN 47 Cb 0.54 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 2jnb h ASN 47 CO -0.12 0.98 -0.21 0.03 -1.29 0.00 0.00 177.43 176.82 2jnb h ARG 48 N 0.89 0.00 -1.83 6.67 3.08 0.52 -3.47 114.38 120.24 2jnb h ARG 48 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 2jnb h ARG 48 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.56 2jnb h ARG 48 CO 0.02 0.21 -0.08 0.41 -1.07 0.00 0.00 179.97 179.46 2jnb n GLY 49 N -0.09 0.65 0.57 0.04 0.00 -0.86 -4.97 105.19 100.53 2jnb n GLY 49 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.33 0.00 -3.17 -0.61 -6.64 -1.24 -5.08 119.36 100.29 2jnb n ILE 50 Ca -0.01 -0.06 -0.40 0.00 -1.77 0.00 0.00 62.75 60.51 2jnb n ILE 50 Cb 0.51 0.46 -0.06 0.00 -1.44 0.00 0.00 39.64 39.11 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 2jnb s SER 51 N -0.93 6.64 -0.12 7.28 1.04 -1.26 -3.82 113.70 122.53 2jnb s SER 51 Ca 0.02 0.78 -0.22 0.00 0.48 0.00 0.00 55.95 57.01 2jnb s SER 51 Cb 0.03 -2.33 -0.26 0.00 0.10 0.00 0.00 66.02 63.56 2jnb s SER 51 CO -0.01 -0.22 0.63 -0.33 0.98 0.00 0.00 173.24 174.29 2jnb h GLU 52 N 7.43 0.14 -1.45 4.02 4.39 -0.87 -3.49 114.58 124.75 2jnb h GLU 52 Ca -0.33 -0.23 0.26 0.00 0.34 0.00 0.00 59.36 59.39 2jnb h GLU 52 Cb 1.15 0.09 -0.19 0.00 -0.10 0.00 0.00 28.75 29.70 2jnb h GLU 52 CO 0.76 1.11 0.82 -0.59 -1.16 0.00 0.00 179.01 179.95 2jnb s PHE 53 N -2.37 -0.12 -0.09 4.33 -0.71 -1.22 -4.93 117.98 112.87 2jnb s PHE 53 Ca -0.20 0.08 0.04 0.00 -1.04 0.00 0.00 56.93 55.82 2jnb s PHE 53 Cb 0.02 0.51 -0.00 0.00 -1.21 0.00 0.00 43.02 42.34 2jnb s PHE 53 CO 0.72 -0.19 -0.23 0.42 -1.34 0.00 0.00 175.22 174.60 2jnb s ILE 54 N -2.36 1.99 -0.19 -4.49 1.01 -1.26 -0.75 121.20 115.15 2jnb s ILE 54 Ca 0.09 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2jnb s ILE 54 Cb -0.01 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 2jnb s ILE 54 CO -0.05 0.55 -0.01 -0.69 0.00 0.00 0.00 174.94 174.74 2jnb s VAL 55 N 0.23 3.93 0.00 2.92 1.01 -0.43 -3.47 120.40 124.60 2jnb s VAL 55 Ca -0.15 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2jnb s VAL 55 Cb -0.17 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2jnb s VAL 55 CO 0.07 0.45 -0.06 -0.04 0.00 0.00 0.00 175.10 175.52 2jnb s MET 56 N 0.82 0.50 0.23 2.72 -1.94 -1.12 -1.82 119.30 118.69 2jnb s MET 56 Ca 0.00 -0.30 -0.30 0.00 -1.71 0.00 0.00 55.69 53.39 2jnb s MET 56 Cb -0.14 -0.46 -0.09 0.00 2.01 0.00 0.00 34.83 36.15 2jnb s MET 56 CO 0.02 0.12 1.33 0.00 -0.01 0.00 0.00 175.02 176.48 2jnb s ALA 57 N -0.32 3.54 0.59 3.03 0.00 -1.19 -3.29 121.76 124.12 2jnb s ALA 57 Ca 0.01 1.17 0.30 0.00 0.00 0.00 0.00 51.96 53.43 2jnb s ALA 57 Cb -0.03 -3.49 1.71 0.00 0.00 0.00 0.00 23.12 21.30 2jnb s ALA 57 CO -0.00 -0.58 2.12 0.00 0.00 0.00 0.00 175.76 177.30 2jnb h ALA 58 N 4.97 1.73 -0.37 0.00 0.00 -1.91 -1.09 119.26 122.59 2jnb h ALA 58 Ca -0.46 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 2jnb h ALA 58 Cb 1.22 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.80 2jnb h ALA 58 CO 0.75 -0.25 -0.67 -3.47 0.00 0.00 0.00 179.25 175.61 2jnb n ASP 59 N -3.75 3.23 -4.74 0.00 2.03 -1.26 -4.92 116.55 107.14 2jnb n ASP 59 Ca 0.01 -3.76 -0.35 0.00 0.52 0.00 0.00 54.79 51.20 2jnb n ASP 59 Cb 0.29 -0.43 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 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 -3.36 3.68 0.18 -1.67 0.00 -0.41 -5.10 121.76 115.08 2jnb s ALA 60 Ca 0.44 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.76 2jnb s ALA 60 Cb 0.39 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 2jnb s ALA 60 CO -0.02 0.25 -0.10 -1.21 0.00 0.00 0.00 175.76 174.69 2jnb s GLU 61 N 0.09 1.21 0.29 0.00 2.02 -1.26 -3.79 118.70 117.25 2jnb s GLU 61 Ca 0.09 -1.55 -0.29 0.00 0.02 0.00 0.00 54.97 53.24 2jnb s GLU 61 Cb -0.11 -0.80 -0.10 0.00 0.10 0.00 0.00 34.13 33.22 2jnb s GLU 61 CO -0.01 0.08 1.25 -1.25 0.02 0.00 0.00 175.26 175.35 2jnb s PRO 62 N -3.73 4.45 0.07 0.39 0.04 -1.26 -4.87 135.00 130.08 2jnb s PRO 62 Ca 0.21 2.06 0.15 0.00 0.04 0.00 0.00 61.00 63.46 2jnb s PRO 62 Cb 0.02 -3.13 -0.14 0.00 0.04 0.00 0.00 34.50 31.29 2jnb s PRO 62 CO 0.04 -0.08 0.88 1.25 0.04 0.00 0.00 177.00 179.13 2jnb h LEU 63 N 3.97 0.00 -0.40 -3.56 6.46 -2.00 -3.37 115.31 116.41 2jnb h LEU 63 Ca -0.47 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.36 2jnb h LEU 63 Cb 1.22 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.09 2jnb h LEU 63 CO 0.69 0.68 0.02 -0.33 -0.62 0.00 0.00 178.44 178.87 2jnb h GLU 64 N 0.00 0.12 -0.69 1.25 3.07 -1.99 -1.68 114.58 114.66 2jnb h GLU 64 Ca -0.16 -0.01 0.12 0.00 -0.50 0.00 0.00 59.36 58.81 2jnb h GLU 64 Cb 1.66 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 29.46 2jnb h GLU 64 CO 0.06 0.08 0.27 0.82 -1.40 0.00 0.00 179.01 178.84 2jnb h ILE 65 N 0.13 0.72 0.00 3.13 2.04 -1.97 0.24 117.51 121.78 2jnb h ILE 65 Ca 0.20 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2jnb h ILE 65 Cb 0.27 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2jnb h ILE 65 CO -0.32 0.08 -0.03 0.40 0.00 0.00 0.00 178.15 178.28 2jnb h ILE 66 N 0.44 0.43 0.00 -0.67 2.04 -1.50 -0.12 117.51 118.13 2jnb h ILE 66 Ca 0.36 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2jnb h ILE 66 Cb 0.50 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2jnb h ILE 66 CO -0.36 0.03 0.00 0.25 0.00 0.00 0.00 178.15 178.08 2jnb h LEU 67 N 0.00 0.00 -0.41 1.44 6.46 -0.11 -2.86 115.31 119.84 2jnb h LEU 67 Ca -0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 2jnb h LEU 67 Cb 0.11 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 2jnb h LEU 67 CO 0.00 0.00 -0.49 -0.74 -0.62 0.00 0.00 178.44 176.59 2jnb h HIS 68 N 0.00 0.00 0.18 1.25 2.76 -0.91 -3.32 115.15 115.10 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 0.55 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 2jnb h HIS 68 CO 0.00 0.49 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.53 2jnb h LEU 69 N 0.00 -1.54 -8.76 0.26 3.38 -1.60 -3.38 115.31 103.67 2jnb h LEU 69 Ca -0.00 0.16 -0.56 0.00 0.09 0.00 0.00 57.88 57.57 2jnb h LEU 69 Cb 1.21 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 2jnb h LEU 69 CO 0.06 -0.57 1.26 -2.16 0.09 0.00 0.00 178.44 177.12 2jnb s PRO 70 N -5.80 3.21 -0.14 1.13 0.04 -1.25 -4.88 135.00 127.32 2jnb s PRO 70 Ca -0.17 1.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 2jnb s PRO 70 Cb 0.06 -4.21 -0.09 0.00 0.04 0.00 0.00 34.50 30.30 2jnb s PRO 70 CO 0.61 -2.01 0.12 -0.07 0.04 0.00 0.00 177.00 175.69 2jnb h LEU 71 N 14.04 0.00 0.00 -3.56 3.38 -1.88 -3.47 115.31 123.82 2jnb h LEU 71 Ca -0.31 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2jnb h LEU 71 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2jnb h LEU 71 CO 1.09 0.84 0.00 0.18 0.09 0.00 0.00 178.44 180.64 2jnb n LEU 72 N -4.64 0.00 0.00 1.67 7.99 -1.26 -5.16 117.00 115.60 2jnb n LEU 72 Ca -0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2jnb n LEU 72 Cb 0.29 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 2jnb n LEU 72 CO 0.13 -0.31 0.17 0.00 -1.51 0.00 0.00 177.39 175.87 2jnb h GLU 74 N 0.00 0.10 -0.43 0.00 4.11 -1.94 0.30 114.58 116.72 2jnb h GLU 74 Ca -0.05 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.46 2jnb h GLU 74 Cb 0.23 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2jnb h GLU 74 CO 0.07 0.07 0.29 0.22 0.07 0.00 0.00 179.01 179.73 2jnb h ASP 75 N 0.11 0.20 -0.39 3.06 3.58 -1.95 0.25 116.42 121.27 2jnb h ASP 75 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 2jnb h ASP 75 Cb 1.55 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.56 2jnb h ASP 75 CO -0.06 0.12 0.00 1.17 -2.88 0.00 0.00 179.24 177.60 2jnb n LYS 76 N -4.46 2.64 -2.36 0.28 3.00 0.10 -4.96 118.16 112.40 2jnb n LYS 76 Ca 0.06 -1.70 -0.00 0.00 -0.00 0.00 0.00 58.31 56.67 2jnb n LYS 76 Cb 0.34 -1.64 -0.00 0.00 0.00 0.00 0.00 35.03 33.73 2jnb n LYS 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jnb n ASN 77 N 0.57 -6.15 -3.34 3.14 2.85 0.88 -4.96 115.26 108.26 2jnb n ASN 77 Ca 0.15 1.02 -0.15 0.00 -0.11 0.00 0.00 54.58 55.50 2jnb n ASN 77 Cb 0.58 -4.07 -0.07 0.00 1.24 0.00 0.00 39.78 37.46 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jnb s VAL 78 N -1.14 -0.41 1.22 3.44 1.01 -1.25 -4.98 120.40 118.27 2jnb s VAL 78 Ca -0.00 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 2jnb s VAL 78 Cb 0.00 -0.57 0.29 0.00 0.00 0.00 0.00 36.38 36.10 2jnb s VAL 78 CO 0.56 -0.51 1.11 -2.16 0.00 0.00 0.00 175.10 174.10 2jnb s PRO 79 N 1.45 -1.34 -0.29 2.72 0.04 -1.26 -4.67 135.00 131.65 2jnb s PRO 79 Ca 0.17 -0.12 -0.34 0.00 0.04 0.00 0.00 61.00 60.76 2jnb s PRO 79 Cb -0.14 -1.59 0.18 0.00 0.04 0.00 0.00 34.50 32.99 2jnb s PRO 79 CO -0.03 -3.78 1.37 -0.47 0.04 0.00 0.00 177.00 174.13 2jnb s TYR 80 N -3.02 -0.02 -0.30 0.56 6.14 -1.26 -4.73 117.35 114.72 2jnb s TYR 80 Ca 0.71 0.03 -0.21 0.00 0.64 0.00 0.00 57.07 58.24 2jnb s TYR 80 Cb -0.09 0.50 0.19 0.00 0.42 0.00 0.00 41.96 42.98 2jnb s TYR 80 CO 0.56 -0.03 1.31 0.54 0.64 0.00 0.00 175.55 178.57 2jnb s VAL 81 N -1.51 0.00 -0.08 3.14 0.11 -1.23 -4.89 120.40 115.95 2jnb s VAL 81 Ca 0.10 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 2jnb s VAL 81 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2jnb s VAL 81 CO -0.05 0.00 0.08 -0.36 -3.33 0.00 0.00 175.10 171.43 2jnb s PHE 82 N 0.53 3.37 0.35 1.54 0.08 -1.25 -2.79 117.98 119.80 2jnb s PHE 82 Ca -0.00 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.39 2jnb s PHE 82 Cb -0.04 -1.84 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 2jnb s PHE 82 CO -0.13 0.60 0.02 1.33 -0.10 0.00 0.00 175.22 176.94 2jnb n VAL 83 N 1.85 0.00 -2.43 -0.44 0.24 -1.21 -3.91 118.33 112.44 2jnb n VAL 83 Ca -0.18 -1.70 -0.22 0.00 -2.04 0.00 0.00 64.34 60.20 2jnb n VAL 83 Cb 0.54 0.40 0.01 0.00 -1.47 0.00 0.00 33.84 33.32 2jnb n VAL 83 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2jnb n ARG 84 N -0.84 3.01 -3.65 7.34 0.63 -1.26 -3.52 116.66 118.37 2jnb n ARG 84 Ca -0.13 -4.18 -0.02 0.00 -0.92 0.00 0.00 57.85 52.60 2jnb n ARG 84 Cb 0.45 -2.06 -0.07 0.00 0.45 0.00 0.00 32.46 31.23 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2jnb s SER 85 N -3.50 -0.03 0.00 6.15 1.04 -1.26 -5.08 113.70 111.02 2jnb s SER 85 Ca 0.44 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2jnb s SER 85 Cb 0.41 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2jnb s SER 85 CO -0.10 -0.01 0.00 2.29 0.98 0.00 0.00 173.24 176.40 2jnb n LYS 86 N 1.42 0.00 0.05 4.02 -0.00 -1.26 -4.72 118.16 117.67 2jnb n LYS 86 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.11 2jnb n LYS 86 Cb 0.57 -0.48 -0.05 0.00 -0.00 0.00 0.00 35.03 35.08 2jnb n LYS 86 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2jnb h GLN 87 N 0.00 -0.42 -0.39 -1.58 4.15 -1.98 -0.86 115.11 114.03 2jnb h GLN 87 Ca 0.00 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.51 2jnb h GLN 87 Cb 0.18 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2jnb h GLN 87 CO 0.00 -0.28 0.27 0.00 -1.93 0.00 0.00 178.83 176.89 2jnb h ALA 88 N 0.35 2.00 -0.39 3.38 0.00 -2.00 -2.09 119.26 120.51 2jnb h ALA 88 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2jnb h ALA 88 Cb 0.53 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2jnb h ALA 88 CO -0.27 -0.08 0.16 1.25 0.00 0.00 0.00 179.25 180.32 2jnb h LEU 89 N 0.29 0.21 0.06 0.00 6.46 -1.46 0.22 115.31 121.08 2jnb h LEU 89 Ca 0.17 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2jnb h LEU 89 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2jnb h LEU 89 CO -0.04 0.16 -0.03 1.23 -0.62 0.00 0.00 178.44 179.14 2jnb h GLY 90 N 0.34 -0.08 1.90 3.75 0.00 -1.05 -2.05 103.07 105.88 2jnb h GLY 90 Ca 0.17 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 2jnb h GLY 90 CO -0.15 -0.03 -0.15 3.21 0.00 0.00 0.00 176.54 179.42 2jnb h ARG 91 N -0.15 0.13 0.20 4.80 2.47 -1.38 -2.96 114.38 117.50 2jnb h ARG 91 Ca -0.01 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2jnb h ARG 91 Cb 0.13 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2jnb h ARG 91 CO 0.01 0.28 -0.10 0.00 0.56 0.00 0.00 179.97 180.73 2jnb h ALA 92 N 1.73 -0.27 -0.27 0.04 0.00 -0.22 -2.66 119.26 117.61 2jnb h ALA 92 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.88 2jnb h ALA 92 Cb 0.34 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jnb h ALA 92 CO 0.02 -0.55 0.27 0.00 0.00 0.00 0.00 179.25 178.99 2jnb n GLY 94 N -1.45 0.80 3.62 0.00 0.00 -1.00 -4.87 105.19 102.29 2jnb n GLY 94 Ca 0.04 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 3.55 -0.40 1.61 0.11 -1.17 -5.02 120.40 117.08 2jnb s VAL 95 Ca 0.00 -1.31 -0.04 0.00 -2.93 0.00 0.00 61.98 57.70 2jnb s VAL 95 Cb 0.00 -2.71 0.03 0.00 -1.53 0.00 0.00 36.38 32.17 2jnb s VAL 95 CO 0.00 0.02 2.82 -1.20 -3.33 0.00 0.00 175.10 173.42 2jnb n SER 96 N 0.37 6.34 -3.64 3.54 7.64 -1.26 -4.34 113.62 122.28 2jnb n SER 96 Ca -0.12 -3.12 -0.09 0.00 1.01 0.00 0.00 58.87 56.55 2jnb n SER 96 Cb 0.53 -1.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.42 2jnb n SER 96 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jnb s ARG 97 N -1.44 0.63 0.46 1.43 6.06 -1.26 -5.15 118.95 119.69 2jnb s ARG 97 Ca 0.58 0.87 -0.23 0.00 -2.50 0.00 0.00 55.73 54.46 2jnb s ARG 97 Cb 0.37 0.24 -0.07 0.00 0.06 0.00 0.00 34.95 35.55 2jnb s ARG 97 CO -0.19 -0.10 1.16 -1.25 -2.50 0.00 0.00 175.30 172.43 2jnb s PRO 98 N 0.77 3.73 0.10 5.12 0.04 -1.26 -4.64 135.00 138.86 2jnb s PRO 98 Ca -0.03 1.76 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2jnb s PRO 98 Cb -0.05 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2jnb s PRO 98 CO -0.08 -0.57 -0.15 0.08 0.04 0.00 0.00 177.00 176.32 2jnb s VAL 99 N -1.56 3.07 -0.04 -0.36 1.01 -1.26 -5.00 120.40 116.26 2jnb s VAL 99 Ca 0.64 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2jnb s VAL 99 Cb -0.28 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 2jnb s VAL 99 CO 0.34 0.13 0.03 2.30 0.00 0.00 0.00 175.10 177.90 2jnb n ILE 100 N 0.84 0.27 -3.58 2.22 -5.35 -1.26 -4.83 119.36 107.67 2jnb n ILE 100 Ca -0.15 -0.19 -0.11 0.00 -0.27 0.00 0.00 62.75 62.03 2jnb n ILE 100 Cb 0.52 -0.65 -0.11 0.00 -1.74 0.00 0.00 39.64 37.67 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 -2.16 -0.86 0.08 -1.28 0.00 -1.26 -3.20 121.76 113.08 2jnb s ALA 101 Ca -0.02 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.11 2jnb s ALA 101 Cb 0.02 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2jnb s ALA 101 CO 0.20 -0.87 -0.26 0.00 0.00 0.00 0.00 175.76 174.83 2jnb s SER 103 N -1.61 5.52 -0.29 0.00 0.15 0.83 -1.32 113.70 116.98 2jnb s SER 103 Ca 0.12 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 2jnb s SER 103 Cb -0.10 -1.52 0.04 0.00 -1.71 0.00 0.00 66.02 62.74 2jnb s SER 103 CO 0.04 0.23 -0.00 -0.69 1.20 0.00 0.00 173.24 174.02 2jnb s VAL 104 N -1.26 3.07 0.16 4.45 1.01 0.07 -3.64 120.40 124.26 2jnb s VAL 104 Ca 0.25 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2jnb s VAL 104 Cb -0.12 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2jnb s VAL 104 CO 0.17 -0.04 0.24 0.42 0.00 0.00 0.00 175.10 175.88 2jnb s THR 105 N 1.29 5.01 -0.12 3.92 -4.23 -1.26 -0.11 115.64 120.14 2jnb s THR 105 Ca -0.04 -0.86 -0.05 0.00 -1.18 0.00 0.00 61.69 59.56 2jnb s THR 105 Cb -0.19 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 2jnb s THR 105 CO -0.01 -0.12 0.08 -0.51 -0.54 0.00 0.00 174.62 173.51 2jnb s ILE 106 N -1.78 4.98 -0.25 2.99 2.07 -1.25 -4.93 121.20 123.03 2jnb s ILE 106 Ca 0.33 0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.46 2jnb s ILE 106 Cb -0.10 -3.16 -0.05 0.00 0.13 0.00 0.00 42.46 39.28 2jnb s ILE 106 CO 0.27 0.59 0.23 -0.75 -1.91 0.00 0.00 174.94 173.36 2jnb s LYS 107 N -0.72 4.04 0.15 3.50 2.47 -1.26 -5.04 119.74 122.87 2jnb s LYS 107 Ca 0.12 -0.19 -0.32 0.00 -1.56 0.00 0.00 55.97 54.02 2jnb s LYS 107 Cb -0.12 -3.59 -0.12 0.00 -1.46 0.00 0.00 37.83 32.54 2jnb s LYS 107 CO 0.03 -0.07 1.74 0.39 0.16 0.00 0.00 175.35 177.60 2jnb n GLU 108 N 4.68 2.59 -2.80 4.03 -0.58 -1.26 -2.29 120.64 125.00 2jnb n GLU 108 Ca -0.13 0.94 -0.07 0.00 -0.42 0.00 0.00 57.16 57.48 2jnb n GLU 108 Cb 0.52 -2.78 0.02 0.00 -0.57 0.00 0.00 31.44 28.63 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jnb n GLY 109 N 3.95 0.49 3.16 0.62 0.00 -1.26 -5.06 105.19 107.10 2jnb n GLY 109 Ca 0.17 -0.39 -0.20 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 -3.11 1.73 0.47 1.61 1.04 -0.97 -5.03 113.70 109.43 2jnb s SER 110 Ca 0.17 -0.52 0.23 0.00 0.48 0.00 0.00 55.95 56.30 2jnb s SER 110 Cb -0.07 -0.09 1.15 0.00 0.10 0.00 0.00 66.02 67.11 2jnb s SER 110 CO 0.22 -0.00 1.95 0.06 0.98 0.00 0.00 173.24 176.45 2jnb h GLN 111 N 4.67 0.00 -0.47 4.02 3.07 -1.97 -2.67 115.11 121.76 2jnb h GLN 111 Ca -0.39 0.00 0.14 0.00 0.09 0.00 0.00 58.65 58.48 2jnb h GLN 111 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.72 2jnb h GLN 111 CO 0.42 0.20 0.40 1.25 0.09 0.00 0.00 178.83 181.20 2jnb h LEU 112 N 0.00 0.00 -2.00 0.06 6.46 -1.95 0.08 115.31 117.96 2jnb h LEU 112 Ca -0.00 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.99 2jnb h LEU 112 Cb 0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2jnb h LEU 112 CO 0.03 0.00 0.58 0.07 -0.62 0.00 0.00 178.44 178.50 2jnb h LYS 113 N 0.00 0.00 0.10 1.25 5.09 -1.78 0.33 116.57 121.57 2jnb h LYS 113 Ca 0.22 -0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.70 2jnb h LYS 113 Cb 1.02 -0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.35 2jnb h LYS 113 CO -0.00 0.00 -1.18 0.37 -2.09 0.00 0.00 179.45 176.55 2jnb h GLN 114 N 0.00 0.23 0.08 0.07 4.15 -1.21 -3.08 115.11 115.36 2jnb h GLN 114 Ca 0.38 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2jnb h GLN 114 Cb 1.54 0.14 0.00 0.00 0.21 0.00 0.00 27.48 29.37 2jnb h GLN 114 CO -0.01 1.17 -0.04 1.96 -1.93 0.00 0.00 178.83 179.99 2jnb h GLN 115 N 0.07 -0.10 -0.73 1.69 4.20 -0.61 -2.47 115.11 117.15 2jnb h GLN 115 Ca -0.11 0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.74 2jnb h GLN 115 Cb 1.92 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 29.63 2jnb h GLN 115 CO 0.19 0.45 0.28 0.82 -0.67 0.00 0.00 178.83 179.89 2jnb h ILE 116 N -0.87 0.66 -0.60 2.54 2.04 -0.69 0.16 117.51 120.75 2jnb h ILE 116 Ca -0.01 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 2jnb h ILE 116 Cb 0.59 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2jnb h ILE 116 CO 0.02 0.08 0.02 1.56 0.00 0.00 0.00 178.15 179.82 2jnb h GLN 117 N 0.42 1.04 0.03 2.37 4.20 -1.63 0.16 115.11 121.70 2jnb h GLN 117 Ca 0.40 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2jnb h GLN 117 Cb 0.59 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2jnb h GLN 117 CO -0.40 1.02 -0.01 0.77 -0.67 0.00 0.00 178.83 179.54 2jnb h SER 118 N 0.94 -0.03 0.49 1.46 0.02 -0.65 -1.59 113.55 114.20 2jnb h SER 118 Ca 0.17 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2jnb h SER 118 Cb 0.53 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2jnb h SER 118 CO 0.03 0.17 -0.42 -0.29 -1.14 0.00 0.00 176.83 175.18 2jnb h ILE 119 N -0.23 1.22 -0.07 3.27 2.10 -0.73 -2.80 117.51 120.28 2jnb h ILE 119 Ca -0.00 -1.46 -0.11 0.00 1.08 0.00 0.00 64.86 64.36 2jnb h ILE 119 Cb 0.21 1.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 2jnb h ILE 119 CO 0.01 0.41 -0.46 -0.61 -1.08 0.00 0.00 178.15 176.41 2jnb h GLN 120 N 0.00 0.16 -0.84 2.19 4.15 -0.47 -2.95 115.11 117.34 2jnb h GLN 120 Ca -0.00 -0.08 0.18 0.00 0.77 0.00 0.00 58.65 59.51 2jnb h GLN 120 Cb 0.77 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.41 2jnb h GLN 120 CO 0.05 0.59 0.56 0.37 -1.93 0.00 0.00 178.83 178.47 2jnb h GLN 121 N 0.13 0.41 -0.36 1.69 -0.00 -1.00 0.16 115.11 116.13 2jnb h GLN 121 Ca 0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.58 2jnb h GLN 121 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.24 2jnb h GLN 121 CO 0.07 0.27 0.02 1.03 0.00 0.00 0.00 178.83 180.22 2jnb h SER 122 N 0.43 0.61 -0.18 -0.69 0.87 -1.65 -2.65 113.55 110.29 2jnb h SER 122 Ca 0.43 -0.29 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 2jnb h SER 122 Cb 1.01 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2jnb h SER 122 CO -0.15 0.75 -0.32 0.40 -0.53 0.00 0.00 176.83 176.97 2jnb h ILE 123 N 0.45 1.28 -0.29 2.23 2.04 -1.21 -1.42 117.51 120.60 2jnb h ILE 123 Ca 0.11 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.54 2jnb h ILE 123 Cb 0.42 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2jnb h ILE 123 CO 0.01 0.47 0.10 -0.08 0.00 0.00 0.00 178.15 178.66 2jnb h GLU 124 N 0.57 0.22 -0.00 2.37 4.81 -0.91 0.16 114.58 121.80 2jnb h GLU 124 Ca 0.06 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 2jnb h GLU 124 Cb 0.83 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2jnb h GLU 124 CO 0.07 0.15 -0.67 0.07 -0.73 0.00 0.00 179.01 177.90 2jnb h ARG 125 N 0.23 0.02 0.06 1.92 0.11 -1.43 -2.30 114.38 113.00 2jnb h ARG 125 Ca 0.13 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.19 2jnb h ARG 125 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2jnb h ARG 125 CO -0.13 0.68 -0.03 -0.07 0.10 0.00 0.00 179.97 180.52 2jnb h LEU 126 N 0.01 -0.07 -1.29 0.08 3.38 -0.64 -3.12 115.31 113.67 2jnb h LEU 126 Ca -0.01 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2jnb h LEU 126 Cb 1.18 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2jnb h LEU 126 CO 0.09 0.32 -0.25 -0.07 0.09 0.00 0.00 178.44 178.62 2jnb h LEU 127 N -0.48 0.17 0.00 1.67 3.38 -0.74 -3.47 115.31 115.83 2jnb h LEU 127 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jnb h LEU 127 Cb 0.42 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jnb h LEU 127 CO 0.01 0.42 0.00 0.55 0.09 0.00 0.00 178.44 179.52