#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 -0.07 -0.31 2.03 -1.32 -1.26 -5.14 115.64 109.57 2jnb s THR 2 Ca 0.00 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.42 2jnb s THR 2 Cb 0.00 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.18 2jnb s THR 2 CO 0.00 0.00 0.92 -0.70 -2.21 0.00 0.00 174.62 172.63 2jnb s GLU 3 N 1.53 0.29 0.01 7.08 2.12 -1.26 -5.10 118.70 123.37 2jnb s GLU 3 Ca -0.05 0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.49 2jnb s GLU 3 Cb -0.02 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.43 2jnb s GLU 3 CO -0.13 -0.50 -0.10 0.00 -0.54 0.00 0.00 175.26 173.99 2jnb s ALA 4 N 2.69 2.91 -0.38 6.30 0.00 -1.26 -5.01 121.76 127.01 2jnb s ALA 4 Ca 0.21 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.18 2jnb s ALA 4 Cb -0.03 -1.03 0.66 0.00 0.00 0.00 0.00 23.12 22.71 2jnb s ALA 4 CO -0.21 0.60 1.77 -0.25 0.00 0.00 0.00 175.76 177.67 2jnb n ASP 5 N 1.58 4.24 -3.77 0.00 9.92 -1.26 -4.85 116.55 122.40 2jnb n ASP 5 Ca -0.16 -3.26 -0.20 0.00 -0.53 0.00 0.00 54.79 50.65 2jnb n ASP 5 Cb 0.52 -0.76 -0.17 0.00 -0.64 0.00 0.00 41.12 40.07 2jnb n ASP 5 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2jnb s VAL 6 N -2.86 0.22 -0.31 2.53 -7.23 -1.26 -5.11 120.40 106.37 2jnb s VAL 6 Ca 0.51 0.16 -0.02 0.00 -1.81 0.00 0.00 61.98 60.82 2jnb s VAL 6 Cb 0.42 -0.37 0.11 0.00 0.56 0.00 0.00 36.38 37.09 2jnb s VAL 6 CO 0.11 0.20 0.13 0.54 -0.31 0.00 0.00 175.10 175.78 2jnb s ASN 7 N 1.65 3.67 1.03 4.85 4.22 -1.26 -5.13 114.94 123.96 2jnb s ASN 7 Ca -0.01 -1.57 -0.02 0.00 -2.14 0.00 0.00 52.86 49.12 2jnb s ASN 7 Cb -0.13 -0.58 0.03 0.00 1.28 0.00 0.00 41.25 41.86 2jnb s ASN 7 CO -0.03 -0.41 0.11 -0.81 -2.04 0.00 0.00 177.10 173.92 2jnb n PRO 8 N 4.90 -1.24 0.17 3.55 -0.04 -1.26 -4.94 135.00 136.15 2jnb n PRO 8 Ca -0.02 -0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.32 2jnb n PRO 8 Cb 0.41 -0.17 0.15 0.00 -0.04 0.00 0.00 33.50 33.86 2jnb n PRO 8 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jnb h LYS 9 N 0.00 0.00 -1.16 0.54 1.57 -2.02 -3.21 116.57 112.28 2jnb h LYS 9 Ca -0.04 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.28 2jnb h LYS 9 Cb 0.13 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.22 2jnb h LYS 9 CO 0.03 0.36 0.59 0.00 -0.57 0.00 0.00 179.45 179.86 2jnb n ALA 10 N -2.21 5.39 -2.28 3.86 0.00 -1.26 -4.91 120.51 119.10 2jnb n ALA 10 Ca 0.02 -2.41 -0.15 0.00 0.00 0.00 0.00 53.44 50.89 2jnb n ALA 10 Cb 0.63 -1.49 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.69 1.38 0.75 0.00 1.51 -1.22 -4.18 117.35 112.90 2jnb s TYR 11 Ca 0.46 -0.71 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 2jnb s TYR 11 Cb 0.37 -0.68 0.05 0.00 -0.11 0.00 0.00 41.96 41.58 2jnb s TYR 11 CO 0.03 0.15 1.10 -1.25 -1.11 0.00 0.00 175.55 174.47 2jnb s PRO 12 N -3.71 2.36 -0.03 -1.71 0.04 -1.26 -4.95 135.00 125.74 2jnb s PRO 12 Ca 0.18 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.47 2jnb s PRO 12 Cb 0.02 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2jnb s PRO 12 CO 0.02 -1.57 -0.11 -1.17 0.04 0.00 0.00 177.00 174.21 2jnb s LEU 13 N -5.71 1.82 -0.01 -3.56 2.96 -1.26 -2.92 118.68 110.01 2jnb s LEU 13 Ca 0.62 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 2jnb s LEU 13 Cb -0.18 -0.66 -0.07 0.00 0.50 0.00 0.00 46.19 45.78 2jnb s LEU 13 CO 0.53 0.09 1.80 0.00 -1.32 0.00 0.00 176.35 177.45 2jnb s ALA 14 N 0.14 3.60 1.28 5.97 0.00 -1.22 -4.98 121.76 126.55 2jnb s ALA 14 Ca -0.03 1.12 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 2jnb s ALA 14 Cb -0.09 -3.79 0.27 0.00 0.00 0.00 0.00 23.12 19.51 2jnb s ALA 14 CO 0.01 -1.48 0.81 -0.40 0.00 0.00 0.00 175.76 174.70 2jnb n ASP 15 N 7.32 -2.62 0.11 0.00 5.75 -1.26 -4.46 116.55 121.38 2jnb n ASP 15 Ca 0.18 -0.91 0.01 0.00 -0.01 0.00 0.00 54.79 54.07 2jnb n ASP 15 Cb 0.42 -0.80 0.33 0.00 -1.03 0.00 0.00 41.12 40.04 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 -2.89 1.37 0.00 2.12 0.00 -1.99 0.20 119.26 118.08 2jnb h ALA 16 Ca -0.32 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 2jnb h ALA 16 Cb 1.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2jnb h ALA 16 CO 0.21 0.43 -0.96 1.25 0.00 0.00 0.00 179.25 180.18 2jnb h HIS 17 N 0.23 0.00 0.21 0.00 6.17 -2.02 -3.27 115.15 116.47 2jnb h HIS 17 Ca 0.04 0.00 -0.29 0.00 0.71 0.00 0.00 60.37 60.83 2jnb h HIS 17 Cb 0.51 0.00 0.03 0.00 2.52 0.00 0.00 27.41 30.47 2jnb h HIS 17 CO 0.01 0.94 -1.30 -0.07 0.71 0.00 0.00 177.93 178.21 2jnb h LEU 18 N 0.00 0.71 -1.88 0.26 3.38 -1.79 -3.29 115.31 112.69 2jnb h LEU 18 Ca -0.02 -0.93 0.14 0.00 0.09 0.00 0.00 57.88 57.17 2jnb h LEU 18 Cb 1.73 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2jnb h LEU 18 CO 0.12 1.62 0.40 0.71 0.09 0.00 0.00 178.44 181.38 2jnb h THR 19 N -0.03 0.77 0.22 0.22 1.35 -0.71 0.15 112.91 114.87 2jnb h THR 19 Ca -0.23 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2jnb h THR 19 Cb 2.00 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.03 2jnb h THR 19 CO 0.23 0.02 -0.22 0.50 -0.25 0.00 0.00 175.52 175.80 2jnb h LYS 20 N 0.12 -0.45 0.00 4.72 3.64 -1.63 0.21 116.57 123.19 2jnb h LYS 20 Ca 0.27 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.48 2jnb h LYS 20 Cb 0.92 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2jnb h LYS 20 CO -0.03 -0.30 -0.89 1.57 -2.27 0.00 0.00 179.45 177.52 2jnb h LYS 21 N -0.47 0.23 0.18 1.90 2.10 -1.52 -2.87 116.57 116.12 2jnb h LYS 21 Ca -0.00 -0.25 -0.01 0.00 -2.00 0.00 0.00 60.65 58.39 2jnb h LYS 21 Cb 0.44 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2jnb h LYS 21 CO -0.05 0.98 -0.09 1.25 -2.00 0.00 0.00 179.45 179.54 2jnb h LEU 22 N 0.12 -0.21 -1.17 7.07 5.85 -0.53 -2.46 115.31 124.00 2jnb h LEU 22 Ca -0.05 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2jnb h LEU 22 Cb 1.52 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 2jnb h LEU 22 CO 0.14 -0.07 0.15 -0.07 -0.34 0.00 0.00 178.44 178.24 2jnb h LEU 23 N -0.32 0.67 -1.85 2.25 3.38 -0.68 -2.09 115.31 116.68 2jnb h LEU 23 Ca -0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jnb h LEU 23 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2jnb h LEU 23 CO 0.04 0.65 0.11 -0.78 0.09 0.00 0.00 178.44 178.55 2jnb h ASP 24 N 0.72 0.18 -0.70 -0.43 3.58 -1.26 -1.70 116.42 116.80 2jnb h ASP 24 Ca 0.17 -0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.66 2jnb h ASP 24 Cb 0.22 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2jnb h ASP 24 CO -0.01 0.13 0.46 0.25 -2.88 0.00 0.00 179.24 177.19 2jnb h LEU 25 N 0.21 0.69 0.10 2.28 7.12 -0.90 -0.92 115.31 123.89 2jnb h LEU 25 Ca 0.06 -0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 2jnb h LEU 25 Cb -0.01 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 39.97 2jnb h LEU 25 CO -0.01 0.46 -0.05 0.58 -0.13 0.00 0.00 178.44 179.29 2jnb h VAL 26 N 0.79 0.97 -0.13 1.05 2.07 -1.40 0.81 116.25 120.42 2jnb h VAL 26 Ca 0.29 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2jnb h VAL 26 Cb 0.15 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2jnb h VAL 26 CO -0.09 0.07 -0.12 1.56 0.02 0.00 0.00 177.57 179.01 2jnb h GLN 27 N -0.26 0.20 -0.01 1.57 4.20 -1.49 -2.13 115.11 117.18 2jnb h GLN 27 Ca -0.01 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 2jnb h GLN 27 Cb 0.21 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2jnb h GLN 27 CO 0.02 0.33 -0.77 1.96 -0.67 0.00 0.00 178.83 179.70 2jnb h GLN 28 N 0.19 0.12 0.10 1.46 4.20 -0.89 -2.51 115.11 117.78 2jnb h GLN 28 Ca 0.04 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jnb h GLN 28 Cb 0.33 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2jnb h GLN 28 CO 0.02 0.83 -0.05 0.77 -0.67 0.00 0.00 178.83 179.73 2jnb h SER 29 N 0.07 -0.11 0.26 1.46 0.02 -0.24 -2.99 113.55 112.03 2jnb h SER 29 Ca -0.02 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 2jnb h SER 29 Cb 1.36 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 2jnb h SER 29 CO 0.11 0.36 -0.15 0.00 -1.14 0.00 0.00 176.83 176.02 2jnb h ASN 31 N 0.00 0.00 -0.67 0.00 2.35 -1.39 -2.56 115.58 113.31 2jnb h ASN 31 Ca -0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 2jnb h ASN 31 Cb 0.32 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.53 2jnb h ASN 31 CO 0.02 0.28 0.33 -1.22 -1.65 0.00 0.00 177.43 175.19 2jnb n TYR 32 N -3.67 2.17 -3.68 1.19 4.01 -0.66 -4.88 117.16 111.64 2jnb n TYR 32 Ca -0.01 -1.21 -0.26 0.00 -0.16 0.00 0.00 57.90 56.27 2jnb n TYR 32 Cb 0.40 -0.67 0.07 0.00 -0.31 0.00 0.00 39.34 38.82 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2jnb n LYS 33 N -0.32 -7.34 -3.79 -0.72 5.02 -0.96 -4.99 118.16 105.06 2jnb n LYS 33 Ca 0.38 0.77 -0.13 0.00 -2.02 0.00 0.00 58.31 57.31 2jnb n LYS 33 Cb 1.28 -5.78 -0.14 0.00 -0.02 0.00 0.00 35.03 30.37 2jnb n LYS 33 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jnb s GLN 34 N -6.39 0.11 -0.09 1.97 -0.21 -0.87 -5.03 119.66 109.15 2jnb s GLN 34 Ca 0.60 0.27 -0.30 0.00 0.02 0.00 0.00 55.36 55.95 2jnb s GLN 34 Cb -0.27 -0.07 0.12 0.00 1.00 0.00 0.00 33.01 33.78 2jnb s GLN 34 CO 0.76 -0.10 0.98 -0.51 -2.12 0.00 0.00 175.29 174.30 2jnb s LEU 35 N 0.67 -0.33 -0.20 2.90 1.43 -1.26 -1.56 118.68 120.33 2jnb s LEU 35 Ca -0.05 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2jnb s LEU 35 Cb -0.07 1.87 0.09 0.00 0.03 0.00 0.00 46.19 48.11 2jnb s LEU 35 CO -0.03 -0.46 0.40 -0.13 0.23 0.00 0.00 176.35 176.36 2jnb s ARG 36 N -2.27 0.31 -0.49 1.70 1.81 -1.24 -5.00 118.95 113.78 2jnb s ARG 36 Ca 0.03 0.96 0.07 0.00 -1.72 0.00 0.00 55.73 55.07 2jnb s ARG 36 Cb -0.01 0.22 0.18 0.00 -0.45 0.00 0.00 34.95 34.90 2jnb s ARG 36 CO -0.05 -0.30 0.66 -1.59 -0.68 0.00 0.00 175.30 173.34 2jnb s LYS 37 N 2.59 1.01 -0.29 3.54 0.00 -1.26 -0.46 119.74 124.87 2jnb s LYS 37 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 55.97 54.75 2jnb s LYS 37 Cb -0.12 -0.21 0.13 0.00 0.00 0.00 0.00 37.83 37.62 2jnb s LYS 37 CO -0.13 -1.31 0.86 0.20 0.00 0.00 0.00 175.35 174.97 2jnb s GLY 38 N 0.93 -0.31 0.44 0.59 0.00 -1.16 -4.98 107.32 102.84 2jnb s GLY 38 Ca 0.28 2.83 0.19 0.00 0.00 0.00 0.00 44.72 48.02 2jnb s GLY 38 CO -0.07 2.74 1.89 0.00 0.00 0.00 0.00 173.10 177.67 2jnb h ALA 39 N 6.86 2.26 0.00 3.20 0.00 -2.01 0.21 119.26 129.79 2jnb h ALA 39 Ca -0.25 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2jnb h ALA 39 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jnb h ALA 39 CO 0.15 -0.50 -0.32 -0.91 0.00 0.00 0.00 179.25 177.66 2jnb h ASN 40 N 0.33 0.00 -0.47 0.00 2.35 -1.95 -3.34 115.58 112.50 2jnb h ASN 40 Ca 0.41 -0.52 0.14 0.00 -0.55 0.00 0.00 56.30 55.78 2jnb h ASN 40 Cb 1.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 2jnb h ASN 40 CO -0.12 0.94 0.40 -0.33 -1.65 0.00 0.00 177.43 176.67 2jnb h GLU 41 N -1.00 0.00 0.31 0.81 4.39 -1.86 -1.85 114.58 115.38 2jnb h GLU 41 Ca -0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2jnb h GLU 41 Cb 0.74 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2jnb h GLU 41 CO -0.04 0.00 -0.21 0.00 -1.16 0.00 0.00 179.01 177.59 2jnb h ALA 42 N 1.65 -0.51 -0.84 3.43 0.00 -0.71 0.15 119.26 122.43 2jnb h ALA 42 Ca 0.23 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.28 2jnb h ALA 42 Cb 1.02 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2jnb h ALA 42 CO -0.00 -0.80 0.60 1.15 0.00 0.00 0.00 179.25 180.19 2jnb h THR 43 N -0.52 0.60 0.00 0.00 2.02 -1.46 -0.01 112.91 113.54 2jnb h THR 43 Ca -0.03 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 2jnb h THR 43 Cb 0.44 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2jnb h THR 43 CO 0.02 0.01 -0.02 0.50 0.37 0.00 0.00 175.52 176.40 2jnb h LYS 44 N 0.07 0.00 0.13 6.66 1.63 -1.39 -2.95 116.57 120.73 2jnb h LYS 44 Ca 0.41 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.22 2jnb h LYS 44 Cb 1.51 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.09 2jnb h LYS 44 CO -0.04 0.53 -0.49 1.79 -3.45 0.00 0.00 179.45 177.79 2jnb h THR 45 N -1.00 0.05 -0.40 1.00 1.35 -0.04 0.26 112.91 114.13 2jnb h THR 45 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.95 2jnb h THR 45 Cb 0.54 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.00 2jnb h THR 45 CO -0.00 0.00 0.28 -0.07 -0.25 0.00 0.00 175.52 175.48 2jnb h LEU 46 N -0.73 0.09 -0.55 3.87 3.38 -1.20 0.95 115.31 121.10 2jnb h LEU 46 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2jnb h LEU 46 Cb 0.74 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2jnb h LEU 46 CO -0.27 0.05 -0.62 -1.13 0.09 0.00 0.00 178.44 176.56 2jnb h ASN 47 N 0.10 0.00 1.30 -0.43 -0.73 -0.94 -3.06 115.58 111.82 2jnb h ASN 47 Ca 0.19 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.28 2jnb h ASN 47 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 2jnb h ASN 47 CO -0.02 0.62 -0.37 0.03 -0.37 0.00 0.00 177.43 177.32 2jnb h ARG 48 N 0.00 0.00 -1.82 6.67 2.47 0.20 -3.48 114.38 118.42 2jnb h ARG 48 Ca -0.01 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2jnb h ARG 48 Cb 1.22 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.56 2jnb h ARG 48 CO 0.08 0.37 -0.07 0.41 0.56 0.00 0.00 179.97 181.33 2jnb n GLY 49 N 0.81 0.64 0.00 0.04 0.00 -0.83 -4.97 105.19 100.87 2jnb n GLY 49 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.18 0.00 -3.04 -0.61 -6.64 -1.24 -4.97 119.36 100.67 2jnb n ILE 50 Ca -0.01 -0.47 -0.43 0.00 -1.77 0.00 0.00 62.75 60.07 2jnb n ILE 50 Cb 0.51 1.01 -0.06 0.00 -1.44 0.00 0.00 39.64 39.66 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 -0.74 6.35 0.09 7.28 1.04 -1.26 -3.70 113.70 122.75 2jnb s SER 51 Ca 0.00 -0.32 -0.19 0.00 0.48 0.00 0.00 55.95 55.92 2jnb s SER 51 Cb 0.00 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.69 2jnb s SER 51 CO 0.00 -0.88 1.58 -0.33 0.98 0.00 0.00 173.24 174.59 2jnb h GLU 52 N 8.96 0.35 -4.43 4.02 3.07 -1.82 -3.47 114.58 121.27 2jnb h GLU 52 Ca -0.25 -0.08 -0.26 0.00 -0.50 0.00 0.00 59.36 58.27 2jnb h GLU 52 Cb 1.09 -0.05 -0.13 0.00 -0.84 0.00 0.00 28.75 28.83 2jnb h GLU 52 CO 0.94 0.47 -0.46 -0.59 -1.40 0.00 0.00 179.01 177.97 2jnb s PHE 53 N -5.30 1.12 -0.01 4.33 -0.12 -1.25 -5.05 117.98 111.71 2jnb s PHE 53 Ca -0.14 -1.31 -0.03 0.00 -0.05 0.00 0.00 56.93 55.41 2jnb s PHE 53 Cb 0.07 -0.41 -0.00 0.00 -0.63 0.00 0.00 43.02 42.05 2jnb s PHE 53 CO 0.72 -0.80 0.06 0.42 -0.05 0.00 0.00 175.22 175.57 2jnb s ILE 54 N -3.88 0.04 -0.09 -4.49 1.09 -1.26 -3.20 121.20 109.41 2jnb s ILE 54 Ca 0.36 -0.33 0.02 0.00 -1.10 0.00 0.00 60.65 59.59 2jnb s ILE 54 Cb 0.04 -0.19 0.01 0.00 -1.06 0.00 0.00 42.46 41.26 2jnb s ILE 54 CO 0.15 -0.18 -0.14 -0.69 -0.10 0.00 0.00 174.94 173.99 2jnb s VAL 55 N -0.55 1.34 0.17 2.92 1.01 -1.26 -3.98 120.40 120.05 2jnb s VAL 55 Ca -0.06 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.46 2jnb s VAL 55 Cb -0.04 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2jnb s VAL 55 CO 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 175.10 175.30 2jnb s MET 56 N 0.92 1.37 -0.17 2.72 0.23 -1.26 -3.56 119.30 119.55 2jnb s MET 56 Ca -0.09 -1.45 -0.29 0.00 -1.03 0.00 0.00 55.69 52.83 2jnb s MET 56 Cb -0.15 -1.55 -0.02 0.00 -1.53 0.00 0.00 34.83 31.58 2jnb s MET 56 CO 0.00 0.33 1.37 0.00 -2.03 0.00 0.00 175.02 174.69 2jnb s ALA 57 N -1.84 3.57 0.42 3.16 0.00 -1.21 -3.67 121.76 122.19 2jnb s ALA 57 Ca 0.17 0.48 0.25 0.00 0.00 0.00 0.00 51.96 52.86 2jnb s ALA 57 Cb -0.07 -3.69 1.36 0.00 0.00 0.00 0.00 23.12 20.72 2jnb s ALA 57 CO 0.08 -1.38 2.05 0.00 0.00 0.00 0.00 175.76 176.52 2jnb h ALA 58 N 8.83 1.36 -0.94 0.00 0.00 -1.89 -2.28 119.26 124.34 2jnb h ALA 58 Ca -0.29 -0.12 -0.56 0.00 0.00 0.00 0.00 54.91 53.94 2jnb h ALA 58 Cb 1.12 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.60 2jnb h ALA 58 CO 0.98 0.17 0.63 -3.47 0.00 0.00 0.00 179.25 177.56 2jnb n ASP 59 N -3.77 5.30 -3.86 0.00 2.03 -1.26 -4.89 116.55 110.11 2jnb n ASP 59 Ca -0.02 -3.70 -0.25 0.00 0.52 0.00 0.00 54.79 51.33 2jnb n ASP 59 Cb 0.24 -0.86 -0.17 0.00 -0.72 0.00 0.00 41.12 39.61 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 -3.52 1.09 0.19 -1.67 0.00 -0.86 -5.11 121.76 111.88 2jnb s ALA 60 Ca 0.59 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.22 2jnb s ALA 60 Cb 0.48 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2jnb s ALA 60 CO 0.05 -0.42 -0.10 -1.21 0.00 0.00 0.00 175.76 174.08 2jnb s GLU 61 N 1.78 1.24 0.56 0.00 2.02 -1.26 -4.07 118.70 118.97 2jnb s GLU 61 Ca 0.04 -1.56 -0.19 0.00 0.02 0.00 0.00 54.97 53.28 2jnb s GLU 61 Cb -0.12 -0.86 -0.05 0.00 0.10 0.00 0.00 34.13 33.20 2jnb s GLU 61 CO -0.07 0.09 1.13 -1.25 0.02 0.00 0.00 175.26 175.18 2jnb s PRO 62 N -3.72 3.29 0.04 0.39 0.04 -1.26 -5.11 135.00 128.67 2jnb s PRO 62 Ca 0.22 1.59 0.18 0.00 0.04 0.00 0.00 61.00 63.02 2jnb s PRO 62 Cb 0.02 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 2jnb s PRO 62 CO 0.05 -0.90 0.75 -0.11 0.04 0.00 0.00 177.00 176.83 2jnb n LEU 63 N -1.44 0.70 -0.34 -3.56 0.00 -1.26 -4.16 117.00 106.94 2jnb n LEU 63 Ca 0.11 0.30 0.07 0.00 0.00 0.00 0.00 56.01 56.50 2jnb n LEU 63 Cb 0.51 0.09 0.23 0.00 0.00 0.00 0.00 43.42 44.26 2jnb n LEU 63 CO 0.43 0.13 1.20 -0.08 0.00 0.00 0.00 177.39 179.06 2jnb h GLU 64 N 0.00 0.87 0.00 1.96 4.81 -1.97 0.33 114.58 120.57 2jnb h GLU 64 Ca -0.17 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 2jnb h GLU 64 Cb 1.52 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2jnb h GLU 64 CO 0.03 0.57 -0.26 -0.84 -0.73 0.00 0.00 179.01 177.78 2jnb h ILE 65 N 0.89 0.90 0.00 2.32 3.07 -1.99 0.26 117.51 122.96 2jnb h ILE 65 Ca 0.49 -1.02 0.00 0.00 1.55 0.00 0.00 64.86 65.88 2jnb h ILE 65 Cb 0.53 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2jnb h ILE 65 CO -0.29 0.26 -0.84 0.40 -1.05 0.00 0.00 178.15 176.63 2jnb h ILE 66 N 0.00 0.00 0.00 0.16 2.04 -0.92 -2.99 117.51 115.79 2jnb h ILE 66 Ca -0.00 -0.89 -0.14 0.00 1.00 0.00 0.00 64.86 64.82 2jnb h ILE 66 Cb 0.58 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2jnb h ILE 66 CO 0.03 0.00 -1.75 -0.11 0.00 0.00 0.00 178.15 176.33 2jnb n LEU 67 N -2.60 0.42 0.04 1.44 0.00 0.86 -4.27 117.00 112.89 2jnb n LEU 67 Ca 0.01 0.18 -0.14 0.00 0.00 0.00 0.00 56.01 56.06 2jnb n LEU 67 Cb 0.53 0.13 -0.14 0.00 0.00 0.00 0.00 43.42 43.94 2jnb n LEU 67 CO 0.39 0.14 -0.35 0.45 0.00 0.00 0.00 177.39 178.01 2jnb h HIS 68 N 0.00 0.30 0.17 1.96 3.86 -0.63 -3.37 115.15 117.44 2jnb h HIS 68 Ca -0.18 -0.22 0.01 0.00 -1.16 0.00 0.00 60.37 58.82 2jnb h HIS 68 Cb 1.49 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.90 2jnb h HIS 68 CO 0.00 1.28 -0.52 -0.07 0.86 0.00 0.00 177.93 179.49 2jnb h LEU 69 N 0.04 -1.53 -9.43 2.43 3.38 -1.70 -3.40 115.31 105.10 2jnb h LEU 69 Ca -0.24 0.16 -0.54 0.00 0.09 0.00 0.00 57.88 57.35 2jnb h LEU 69 Cb 1.98 0.56 0.01 0.00 0.09 0.00 0.00 40.66 43.30 2jnb h LEU 69 CO 0.13 -0.57 0.82 -2.16 0.09 0.00 0.00 178.44 176.75 2jnb s PRO 70 N -5.80 4.29 0.26 1.13 0.04 -1.26 -4.69 135.00 128.96 2jnb s PRO 70 Ca -0.17 2.03 0.20 0.00 0.04 0.00 0.00 61.00 63.10 2jnb s PRO 70 Cb 0.06 -3.49 0.08 0.00 0.04 0.00 0.00 34.50 31.19 2jnb s PRO 70 CO 0.61 -0.55 1.24 -0.07 0.04 0.00 0.00 177.00 178.28 2jnb h LEU 71 N 7.94 0.00 -1.27 -3.56 4.07 -1.87 -3.24 115.31 117.39 2jnb h LEU 71 Ca -0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.56 2jnb h LEU 71 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2jnb h LEU 71 CO 0.89 0.23 0.00 0.18 -1.08 0.00 0.00 178.44 178.67 2jnb n LEU 72 N -2.96 1.84 0.00 1.67 4.77 -1.26 -4.21 117.00 116.85 2jnb n LEU 72 Ca -0.00 -0.92 -0.13 0.00 -0.03 0.00 0.00 56.01 54.93 2jnb n LEU 72 Cb 0.65 -0.23 0.12 0.00 -2.33 0.00 0.00 43.42 41.63 2jnb n LEU 72 CO 0.39 0.46 0.14 0.00 -1.33 0.00 0.00 177.39 177.05 2jnb h GLU 74 N 0.00 0.06 -0.56 0.00 3.07 -1.92 0.25 114.58 115.47 2jnb h GLU 74 Ca -0.16 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.80 2jnb h GLU 74 Cb 0.56 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 2jnb h GLU 74 CO 0.10 0.04 0.38 0.22 -1.40 0.00 0.00 179.01 178.35 2jnb h ASP 75 N 0.06 0.28 -0.51 1.42 3.58 -1.88 0.25 116.42 119.62 2jnb h ASP 75 Ca 0.42 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2jnb h ASP 75 Cb 1.59 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.59 2jnb h ASP 75 CO -0.03 0.17 0.00 0.29 -2.88 0.00 0.00 179.24 176.79 2jnb n LYS 76 N -4.46 3.76 -2.74 0.28 4.76 0.86 -4.96 118.16 115.66 2jnb n LYS 76 Ca 0.09 -2.49 -0.05 0.00 -2.87 0.00 0.00 58.31 52.99 2jnb n LYS 76 Cb 0.41 -1.97 0.01 0.00 -1.84 0.00 0.00 35.03 31.64 2jnb n LYS 76 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2jnb n ASN 77 N 0.70 -7.26 -3.72 4.39 3.02 0.87 -4.95 115.26 108.31 2jnb n ASN 77 Ca 0.22 0.35 -0.12 0.00 -0.03 0.00 0.00 54.58 55.00 2jnb n ASN 77 Cb 0.90 -4.89 -0.11 0.00 -0.61 0.00 0.00 39.78 35.07 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 -2.57 -0.02 -0.25 2.41 1.01 -1.25 -4.99 120.40 114.74 2jnb s VAL 78 Ca 0.17 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 2jnb s VAL 78 Cb -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 2jnb s VAL 78 CO 0.68 0.03 1.63 -2.16 0.00 0.00 0.00 175.10 175.28 2jnb s PRO 79 N 0.96 3.71 0.58 2.72 0.04 -1.26 -4.14 135.00 137.60 2jnb s PRO 79 Ca -0.06 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.64 2jnb s PRO 79 Cb -0.07 -4.06 0.08 0.00 0.04 0.00 0.00 34.50 30.49 2jnb s PRO 79 CO -0.07 -1.40 0.69 0.71 0.04 0.00 0.00 177.00 176.97 2jnb s TYR 80 N 5.47 1.36 -0.11 0.56 1.51 -1.26 -4.88 117.35 120.00 2jnb s TYR 80 Ca 0.72 -0.79 -0.13 0.00 -1.01 0.00 0.00 57.07 55.86 2jnb s TYR 80 Cb -0.24 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2jnb s TYR 80 CO 0.30 -1.00 0.34 0.14 -1.11 0.00 0.00 175.55 174.22 2jnb s VAL 81 N -2.73 0.01 0.29 0.71 -7.23 -1.26 -4.78 120.40 105.42 2jnb s VAL 81 Ca 0.53 -0.08 0.09 0.00 -1.81 0.00 0.00 61.98 60.71 2jnb s VAL 81 Cb -0.04 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2jnb s VAL 81 CO 0.34 -0.05 0.02 -0.36 -0.31 0.00 0.00 175.10 174.74 2jnb s PHE 82 N -0.09 2.68 0.09 2.82 0.08 -1.15 -4.02 117.98 118.39 2jnb s PHE 82 Ca -0.02 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 2jnb s PHE 82 Cb -0.03 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 2jnb s PHE 82 CO 0.01 0.56 0.01 0.14 -0.10 0.00 0.00 175.22 175.84 2jnb s VAL 83 N -2.36 0.18 -0.62 -0.44 -7.23 -1.24 -3.40 120.40 105.29 2jnb s VAL 83 Ca 0.33 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2jnb s VAL 83 Cb -0.05 -1.76 0.38 0.00 0.56 0.00 0.00 36.38 35.51 2jnb s VAL 83 CO 0.20 -0.76 1.36 -1.14 -0.31 0.00 0.00 175.10 174.46 2jnb n ARG 84 N 0.01 3.42 -3.60 4.82 0.63 -1.26 -2.71 116.66 117.98 2jnb n ARG 84 Ca -0.10 -4.36 -0.02 0.00 -0.92 0.00 0.00 57.85 52.45 2jnb n ARG 84 Cb 0.62 -2.27 -0.06 0.00 0.45 0.00 0.00 32.46 31.20 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 -2.75 -0.67 -0.15 6.15 1.04 -1.26 -5.05 113.70 111.01 2jnb s SER 85 Ca 0.48 1.02 0.09 0.00 0.48 0.00 0.00 55.95 58.02 2jnb s SER 85 Cb 0.37 1.44 -0.15 0.00 0.10 0.00 0.00 66.02 67.77 2jnb s SER 85 CO -0.23 -0.16 -0.02 2.29 0.98 0.00 0.00 173.24 176.11 2jnb n LYS 86 N 4.24 1.34 -0.03 4.02 2.85 -1.26 -4.34 118.16 124.98 2jnb n LYS 86 Ca -0.16 0.03 -0.16 0.00 -1.05 0.00 0.00 58.31 56.96 2jnb n LYS 86 Cb 0.56 -1.35 -0.05 0.00 -0.65 0.00 0.00 35.03 33.54 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 -0.56 -1.58 4.20 -1.97 -3.16 115.11 112.84 2jnb h GLN 87 Ca -0.38 -0.60 -0.01 0.00 0.06 0.00 0.00 58.65 57.72 2jnb h GLN 87 Cb 1.77 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.63 2jnb h GLN 87 CO -0.01 1.22 0.30 0.00 -0.67 0.00 0.00 178.83 179.67 2jnb h ALA 88 N 0.63 1.48 0.75 3.87 0.00 -1.99 -1.64 119.26 122.37 2jnb h ALA 88 Ca -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jnb h ALA 88 Cb 1.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jnb h ALA 88 CO 0.15 0.43 -0.42 1.25 0.00 0.00 0.00 179.25 180.65 2jnb h LEU 89 N 0.77 -1.04 -1.79 0.00 5.85 -1.74 -2.00 115.31 115.35 2jnb h LEU 89 Ca 0.20 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2jnb h LEU 89 Cb 0.03 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2jnb h LEU 89 CO -0.03 -0.68 -0.08 1.23 -0.34 0.00 0.00 178.44 178.54 2jnb h GLY 90 N -1.09 0.03 0.95 3.75 0.00 -1.54 -2.28 103.07 102.88 2jnb h GLY 90 Ca -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2jnb h GLY 90 CO 0.13 0.01 -0.28 3.21 0.00 0.00 0.00 176.54 179.62 2jnb h ARG 91 N 0.03 -0.74 0.00 4.80 3.08 -0.97 0.23 114.38 120.80 2jnb h ARG 91 Ca 0.01 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2jnb h ARG 91 Cb 0.16 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 2jnb h ARG 91 CO 0.01 -0.47 -0.10 0.00 -1.07 0.00 0.00 179.97 178.34 2jnb h ALA 92 N -0.44 1.36 0.06 0.04 0.00 -1.21 -2.15 119.26 116.92 2jnb h ALA 92 Ca -0.08 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 2jnb h ALA 92 Cb 0.62 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jnb h ALA 92 CO 0.13 0.12 -1.10 0.00 0.00 0.00 0.00 179.25 178.40 2jnb n GLY 94 N 1.37 0.90 3.22 0.00 0.00 0.77 -4.99 105.19 106.46 2jnb n GLY 94 Ca -0.04 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 2jnb n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jnb s VAL 95 N -2.77 1.46 0.28 1.61 1.01 -1.03 -5.04 120.40 115.93 2jnb s VAL 95 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 2jnb s VAL 95 Cb 0.00 -1.31 0.26 0.00 0.00 0.00 0.00 36.38 35.33 2jnb s VAL 95 CO 0.00 0.06 1.95 0.77 0.00 0.00 0.00 175.10 177.88 2jnb h SER 96 N 4.70 1.03 -2.17 3.32 4.64 -1.99 -3.44 113.55 119.64 2jnb h SER 96 Ca -0.42 -0.03 -0.58 0.00 -0.47 0.00 0.00 61.79 60.29 2jnb h SER 96 Cb 1.17 -0.26 -0.12 0.00 -0.31 0.00 0.00 62.40 62.89 2jnb h SER 96 CO 0.43 0.75 -0.69 -0.13 -0.87 0.00 0.00 176.83 176.32 2jnb s ARG 97 N -5.98 2.00 1.01 4.77 0.52 -1.26 -5.14 118.95 114.88 2jnb s ARG 97 Ca -0.12 -1.61 -0.13 0.00 -0.52 0.00 0.00 55.73 53.35 2jnb s ARG 97 Cb 0.18 -1.96 0.20 0.00 0.52 0.00 0.00 34.95 33.88 2jnb s ARG 97 CO 0.80 0.32 1.09 -1.25 0.02 0.00 0.00 175.30 176.29 2jnb s PRO 98 N -3.61 0.31 0.00 3.54 0.04 -1.26 -4.87 135.00 129.15 2jnb s PRO 98 Ca 0.31 0.48 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 2jnb s PRO 98 Cb -0.05 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 2jnb s PRO 98 CO 0.18 -2.81 0.06 0.54 0.04 0.00 0.00 177.00 175.01 2jnb s VAL 99 N -2.97 0.08 -0.20 -0.36 0.11 -1.26 -4.99 120.40 110.81 2jnb s VAL 99 Ca 0.66 -0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 2jnb s VAL 99 Cb -0.19 -0.32 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 2jnb s VAL 99 CO 0.58 -0.37 -0.29 -0.38 -3.33 0.00 0.00 175.10 171.31 2jnb n ILE 100 N 1.74 1.27 -3.62 7.04 5.41 -1.26 -4.75 119.36 125.20 2jnb n ILE 100 Ca -0.22 -0.20 -0.39 0.00 1.00 0.00 0.00 62.75 62.95 2jnb n ILE 100 Cb 0.56 -1.89 -0.11 0.00 -0.71 0.00 0.00 39.64 37.49 2jnb n ILE 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jnb s ALA 101 N -2.48 3.40 0.35 -1.39 0.00 -1.26 -3.35 121.76 117.04 2jnb s ALA 101 Ca -0.29 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.45 2jnb s ALA 101 Cb 0.10 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 2jnb s ALA 101 CO 0.38 -0.75 0.07 0.00 0.00 0.00 0.00 175.76 175.46 2jnb s SER 103 N -3.54 0.62 -0.15 0.00 0.01 0.40 -4.02 113.70 107.03 2jnb s SER 103 Ca 0.33 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 2jnb s SER 103 Cb 0.07 0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.51 2jnb s SER 103 CO 0.15 -0.51 0.01 -0.69 0.41 0.00 0.00 173.24 172.61 2jnb s VAL 104 N -3.42 0.54 0.01 3.43 1.01 -1.19 -3.60 120.40 117.17 2jnb s VAL 104 Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 2jnb s VAL 104 Cb 0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2jnb s VAL 104 CO -0.07 -0.01 0.09 0.42 0.00 0.00 0.00 175.10 175.52 2jnb s THR 105 N 1.87 4.77 0.29 3.92 -4.23 -1.26 -2.21 115.64 118.79 2jnb s THR 105 Ca 0.01 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 59.88 2jnb s THR 105 Cb -0.15 -3.20 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 2jnb s THR 105 CO -0.07 0.32 0.82 -0.51 -0.54 0.00 0.00 174.62 174.64 2jnb s ILE 106 N -1.23 4.45 -0.59 2.99 2.07 -1.24 -4.96 121.20 122.68 2jnb s ILE 106 Ca 0.24 1.44 -0.16 0.00 -1.41 0.00 0.00 60.65 60.76 2jnb s ILE 106 Cb -0.12 -3.84 0.15 0.00 0.13 0.00 0.00 42.46 38.77 2jnb s ILE 106 CO 0.15 0.07 0.55 -0.75 -1.91 0.00 0.00 174.94 173.05 2jnb s LYS 107 N -2.28 3.10 -0.27 3.50 2.47 -1.26 -5.02 119.74 119.97 2jnb s LYS 107 Ca 0.49 -1.85 -0.35 0.00 -1.56 0.00 0.00 55.97 52.70 2jnb s LYS 107 Cb -0.15 -4.32 -0.11 0.00 -1.46 0.00 0.00 37.83 31.78 2jnb s LYS 107 CO 0.20 -1.32 2.07 -1.91 0.16 0.00 0.00 175.35 174.55 2jnb n GLU 108 N 5.02 1.40 -0.69 4.03 0.00 -1.26 -2.81 120.64 126.33 2jnb n GLU 108 Ca -0.09 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.51 2jnb n GLU 108 Cb 0.41 -2.52 0.00 0.00 0.00 0.00 0.00 31.44 29.33 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jnb n GLY 109 N 5.72 0.78 3.52 8.31 0.00 -1.26 -5.12 105.19 117.14 2jnb n GLY 109 Ca 0.34 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2jnb n GLY 109 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jnb s SER 110 N -2.24 -0.54 0.58 1.61 0.15 -1.12 -5.02 113.70 107.12 2jnb s SER 110 Ca 0.00 0.48 0.27 0.00 0.70 0.00 0.00 55.95 57.40 2jnb s SER 110 Cb 0.00 0.46 1.60 0.00 -1.71 0.00 0.00 66.02 66.37 2jnb s SER 110 CO 0.00 -0.58 2.09 0.06 1.20 0.00 0.00 173.24 176.02 2jnb h GLN 111 N 2.66 0.00 0.00 5.44 3.07 -2.00 0.37 115.11 124.66 2jnb h GLN 111 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 2jnb h GLN 111 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 2jnb h GLN 111 CO 0.36 0.00 -0.02 1.25 0.09 0.00 0.00 178.83 180.51 2jnb h LEU 112 N 0.00 0.00 0.22 0.06 6.46 -1.95 -2.92 115.31 117.17 2jnb h LEU 112 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2jnb h LEU 112 Cb 0.51 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 2jnb h LEU 112 CO -0.00 0.02 -0.51 0.50 -0.62 0.00 0.00 178.44 177.83 2jnb h LYS 113 N 0.00 -0.77 -0.27 1.25 3.64 -1.16 0.19 116.57 119.45 2jnb h LYS 113 Ca -0.00 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2jnb h LYS 113 Cb 0.04 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2jnb h LYS 113 CO 0.00 -0.51 0.06 -0.56 -2.27 0.00 0.00 179.45 176.17 2jnb h GLN 114 N -0.80 0.39 0.29 1.90 3.07 -1.70 -2.05 115.11 116.21 2jnb h GLN 114 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.65 2jnb h GLN 114 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.26 2jnb h GLN 114 CO -0.22 0.37 -0.14 1.96 0.09 0.00 0.00 178.83 180.89 2jnb h GLN 115 N 0.39 -0.37 -0.57 0.06 4.20 -1.19 0.24 115.11 117.86 2jnb h GLN 115 Ca 0.09 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2jnb h GLN 115 Cb 0.16 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2jnb h GLN 115 CO -0.00 -0.18 0.31 0.82 -0.67 0.00 0.00 178.83 179.11 2jnb h ILE 116 N -0.50 1.18 -0.08 2.54 2.04 -0.44 -1.35 117.51 120.90 2jnb h ILE 116 Ca -0.04 -0.46 -0.16 0.00 1.00 0.00 0.00 64.86 65.20 2jnb h ILE 116 Cb 0.37 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2jnb h ILE 116 CO 0.07 0.20 -0.64 -0.61 0.00 0.00 0.00 178.15 177.16 2jnb h GLN 117 N 0.80 0.32 -0.13 2.37 4.15 -1.16 -2.07 115.11 119.39 2jnb h GLN 117 Ca 0.20 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 2jnb h GLN 117 Cb 0.03 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 2jnb h GLN 117 CO -0.03 0.86 -0.07 1.03 -1.93 0.00 0.00 178.83 178.68 2jnb h SER 118 N 0.23 0.29 0.39 -0.69 0.87 0.14 -3.07 113.55 111.72 2jnb h SER 118 Ca -0.01 -0.42 -0.08 0.00 -1.23 0.00 0.00 61.79 60.05 2jnb h SER 118 Cb 1.18 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2jnb h SER 118 CO 0.11 0.65 -0.36 -0.29 -0.53 0.00 0.00 176.83 176.40 2jnb h ILE 119 N -0.07 1.22 -0.51 2.23 2.10 -1.30 -3.01 117.51 118.17 2jnb h ILE 119 Ca 0.03 -1.26 0.07 0.00 1.08 0.00 0.00 64.86 64.77 2jnb h ILE 119 Cb 0.54 1.69 -0.06 0.00 -1.09 0.00 0.00 36.82 37.91 2jnb h ILE 119 CO 0.02 0.36 0.19 -0.61 -1.08 0.00 0.00 178.15 177.03 2jnb h GLN 120 N 0.00 0.36 -0.69 2.19 4.15 -1.27 -1.74 115.11 118.11 2jnb h GLN 120 Ca -0.00 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 2jnb h GLN 120 Cb 0.66 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2jnb h GLN 120 CO 0.05 0.24 0.20 0.37 -1.93 0.00 0.00 178.83 177.75 2jnb h GLN 121 N 0.37 1.07 -0.43 1.69 4.15 -1.52 -2.32 115.11 118.12 2jnb h GLN 121 Ca 0.25 -0.23 0.12 0.00 0.77 0.00 0.00 58.65 59.56 2jnb h GLN 121 Cb 0.26 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2jnb h GLN 121 CO -0.24 0.93 0.34 0.77 -1.93 0.00 0.00 178.83 178.70 2jnb h SER 122 N 1.03 0.00 -0.35 -0.69 0.02 -1.31 0.05 113.55 112.30 2jnb h SER 122 Ca 0.22 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 2jnb h SER 122 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2jnb h SER 122 CO -0.00 0.00 -0.33 0.40 -1.14 0.00 0.00 176.83 175.75 2jnb h ILE 123 N 0.00 1.27 -0.12 3.27 2.04 -1.16 -2.97 117.51 119.85 2jnb h ILE 123 Ca 0.20 -1.50 -0.00 0.00 1.00 0.00 0.00 64.86 64.56 2jnb h ILE 123 Cb 0.88 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2jnb h ILE 123 CO -0.00 0.50 0.06 -0.33 0.00 0.00 0.00 178.15 178.38 2jnb h GLU 124 N 0.74 0.17 -0.20 2.37 4.39 -1.03 0.25 114.58 121.27 2jnb h GLU 124 Ca 0.07 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2jnb h GLU 124 Cb 0.91 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2jnb h GLU 124 CO 0.08 0.21 0.16 0.00 -1.16 0.00 0.00 179.01 178.30 2jnb h ARG 125 N 0.09 0.00 0.00 2.33 3.08 -1.50 -0.68 114.38 117.70 2jnb h ARG 125 Ca 0.04 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.88 2jnb h ARG 125 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2jnb h ARG 125 CO -0.01 0.00 -1.37 -0.07 -1.07 0.00 0.00 179.97 177.45 2jnb h LEU 126 N 0.00 0.00 0.89 3.04 -0.00 -1.24 -3.37 115.31 114.63 2jnb h LEU 126 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2jnb h LEU 126 Cb 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2jnb h LEU 126 CO -0.00 0.80 -0.46 -0.07 -0.00 0.00 0.00 178.44 178.71 2jnb h LEU 127 N 0.00 -1.10 0.00 1.67 3.38 0.11 -3.44 115.31 115.92 2jnb h LEU 127 Ca -0.17 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jnb h LEU 127 Cb 1.76 0.30 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2jnb h LEU 127 CO 0.07 -0.76 0.00 0.52 0.09 0.00 0.00 178.44 178.37