#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 4.49 -2.23 2.03 -2.24 -1.26 -4.29 114.28 110.78 2jnb n THR 2 Ca 0.00 -4.81 -0.02 0.00 -2.27 0.00 0.00 64.05 56.95 2jnb n THR 2 Cb 0.00 -2.36 0.02 0.00 -2.10 0.00 0.00 70.33 65.89 2jnb n THR 2 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2jnb n GLU 3 N 3.87 0.33 -1.44 -0.78 2.13 -1.26 -5.00 120.64 118.50 2jnb n GLU 3 Ca 0.36 -0.44 -0.29 0.00 0.66 0.00 0.00 57.16 57.45 2jnb n GLU 3 Cb 0.38 0.29 0.09 0.00 0.27 0.00 0.00 31.44 32.47 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 -0.38 5.78 -1.43 4.31 0.00 -1.26 -4.61 120.51 122.93 2jnb n ALA 4 Ca -0.08 -3.46 -0.26 0.00 0.00 0.00 0.00 53.44 49.64 2jnb n ALA 4 Cb 0.56 -1.31 0.12 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.91 5.45 -0.46 0.00 2.03 -1.26 -4.30 116.55 117.10 2jnb n ASP 5 Ca 0.56 -3.74 0.01 0.00 0.52 0.00 0.00 54.79 52.14 2jnb n ASP 5 Cb 0.88 -0.79 0.02 0.00 -0.72 0.00 0.00 41.12 40.50 2jnb n ASP 5 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2jnb n VAL 6 N -0.98 0.22 -2.05 5.18 0.24 -1.26 -5.10 118.33 114.57 2jnb n VAL 6 Ca 0.55 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 62.28 2jnb n VAL 6 Cb 1.02 0.42 0.01 0.00 -1.47 0.00 0.00 33.84 33.83 2jnb n VAL 6 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2jnb s ASN 7 N -1.22 6.14 0.27 -1.34 0.01 -1.26 -4.99 114.94 112.54 2jnb s ASN 7 Ca 0.04 1.26 0.04 0.00 -0.71 0.00 0.00 52.86 53.49 2jnb s ASN 7 Cb 0.04 -2.34 0.36 0.00 0.41 0.00 0.00 41.25 39.71 2jnb s ASN 7 CO 0.00 -0.86 1.64 1.55 -1.51 0.00 0.00 177.10 177.92 2jnb h PRO 8 N -0.23 0.31 -3.68 -0.60 0.13 -1.99 -3.47 132.00 122.47 2jnb h PRO 8 Ca -0.45 -0.16 -0.35 0.00 -0.87 0.00 0.00 66.00 64.18 2jnb h PRO 8 Cb 1.20 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2jnb h PRO 8 CO 0.62 0.71 -0.46 1.17 -0.23 0.00 0.00 178.00 179.81 2jnb n LYS 9 N -3.99 -2.41 -3.48 0.86 4.81 -1.26 -2.63 118.16 110.06 2jnb n LYS 9 Ca -0.02 0.80 -0.20 0.00 -0.87 0.00 0.00 58.31 58.02 2jnb n LYS 9 Cb 0.52 -5.47 0.03 0.00 0.02 0.00 0.00 35.03 30.13 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 -2.39 -2.58 -2.66 3.14 0.00 -1.26 -4.91 120.51 109.84 2jnb n ALA 10 Ca -0.18 -0.14 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 2jnb n ALA 10 Cb 0.64 -3.00 -0.07 0.00 0.00 0.00 0.00 19.45 17.02 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 -3.24 2.74 0.75 0.00 1.51 -1.08 -4.17 117.35 113.85 2jnb s TYR 11 Ca 0.26 -0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 55.99 2jnb s TYR 11 Cb -0.08 -1.21 0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2jnb s TYR 11 CO 0.82 0.61 1.10 -1.25 -1.11 0.00 0.00 175.55 175.72 2jnb s PRO 12 N -3.69 2.38 0.06 -1.71 0.04 -1.26 -4.96 135.00 125.86 2jnb s PRO 12 Ca 0.32 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.65 2jnb s PRO 12 Cb -0.07 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2jnb s PRO 12 CO 0.20 -1.55 -0.20 -1.17 0.04 0.00 0.00 177.00 174.32 2jnb s LEU 13 N -5.67 2.21 -0.27 -3.56 2.96 -1.26 -3.37 118.68 109.71 2jnb s LEU 13 Ca 0.63 -0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 53.78 2jnb s LEU 13 Cb -0.18 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 2jnb s LEU 13 CO 0.53 0.12 0.56 0.00 -1.32 0.00 0.00 176.35 176.24 2jnb s ALA 14 N -0.91 3.58 0.71 5.97 0.00 -1.16 -5.02 121.76 124.93 2jnb s ALA 14 Ca 0.07 -0.59 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 2jnb s ALA 14 Cb -0.09 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2jnb s ALA 14 CO 0.02 -0.84 0.85 -0.40 0.00 0.00 0.00 175.76 175.40 2jnb n ASP 15 N 5.65 0.07 -0.33 0.00 5.75 -1.26 -4.63 116.55 121.81 2jnb n ASP 15 Ca -0.03 0.66 0.02 0.00 -0.01 0.00 0.00 54.79 55.44 2jnb n ASP 15 Cb 0.49 -1.35 0.20 0.00 -1.03 0.00 0.00 41.12 39.43 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 -0.20 1.43 -0.78 2.12 0.00 -1.97 0.18 119.26 120.03 2jnb h ALA 16 Ca -0.47 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.49 2jnb h ALA 16 Cb 1.34 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2jnb h ALA 16 CO 0.46 0.46 0.44 1.25 0.00 0.00 0.00 179.25 181.86 2jnb h HIS 17 N 1.14 0.80 0.15 0.00 6.17 -2.02 -1.77 115.15 119.62 2jnb h HIS 17 Ca 0.39 0.03 -0.29 0.00 0.71 0.00 0.00 60.37 61.21 2jnb h HIS 17 Cb 0.08 -0.24 0.01 0.00 2.52 0.00 0.00 27.41 29.78 2jnb h HIS 17 CO -0.00 0.34 -1.32 1.25 0.71 0.00 0.00 177.93 178.91 2jnb h LEU 18 N 0.76 0.50 -2.26 0.26 5.85 -1.72 -3.25 115.31 115.45 2jnb h LEU 18 Ca 0.37 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2jnb h LEU 18 Cb 0.32 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2jnb h LEU 18 CO -0.24 1.43 0.17 0.74 -0.34 0.00 0.00 178.44 180.20 2jnb h THR 19 N 0.09 0.49 -0.70 1.05 2.02 -0.07 -1.97 112.91 113.82 2jnb h THR 19 Ca -0.17 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.13 2jnb h THR 19 Cb 2.01 0.87 -0.08 0.00 -1.74 0.00 0.00 68.15 69.21 2jnb h THR 19 CO 0.21 0.00 0.28 0.11 0.37 0.00 0.00 175.52 176.50 2jnb h LYS 20 N 0.00 0.44 -0.09 6.66 1.57 -1.38 -0.86 116.57 122.93 2jnb h LYS 20 Ca 0.07 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 2jnb h LYS 20 Cb 0.40 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2jnb h LYS 20 CO -0.00 0.29 -0.72 0.87 -0.57 0.00 0.00 179.45 179.32 2jnb h LYS 21 N 0.46 0.43 -0.61 3.15 1.57 -1.57 -3.22 116.57 116.78 2jnb h LYS 21 Ca 0.37 -0.35 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2jnb h LYS 21 Cb 0.50 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 2jnb h LYS 21 CO -0.35 0.98 0.30 1.25 -0.57 0.00 0.00 179.45 181.06 2jnb h LEU 22 N 0.30 0.41 -0.69 2.94 6.46 -1.15 -1.84 115.31 121.73 2jnb h LEU 22 Ca -0.03 0.04 0.06 0.00 -0.12 0.00 0.00 57.88 57.83 2jnb h LEU 22 Cb 1.30 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 2jnb h LEU 22 CO 0.13 0.26 0.39 -0.07 -0.62 0.00 0.00 178.44 178.53 2jnb h LEU 23 N 0.56 0.60 -1.95 2.25 3.38 -1.32 -0.52 115.31 118.31 2jnb h LEU 23 Ca 0.28 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2jnb h LEU 23 Cb 0.23 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jnb h LEU 23 CO -0.21 0.39 -0.10 -0.78 0.09 0.00 0.00 178.44 177.83 2jnb h ASP 24 N 0.73 0.00 -0.64 -0.43 1.82 -1.40 -2.53 116.42 113.97 2jnb h ASP 24 Ca 0.31 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.98 2jnb h ASP 24 Cb 0.17 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.14 2jnb h ASP 24 CO -0.17 0.10 0.38 0.25 -1.61 0.00 0.00 179.24 178.18 2jnb h LEU 25 N 0.00 0.60 -0.04 2.28 7.12 -0.53 -0.83 115.31 123.91 2jnb h LEU 25 Ca -0.00 0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.05 2jnb h LEU 25 Cb 0.20 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.18 2jnb h LEU 25 CO 0.01 0.41 -0.17 0.58 -0.13 0.00 0.00 178.44 179.15 2jnb h VAL 26 N 0.73 0.59 -0.04 1.05 2.07 -1.45 0.23 116.25 119.43 2jnb h VAL 26 Ca 0.27 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 2jnb h VAL 26 Cb 0.08 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2jnb h VAL 26 CO -0.13 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.73 2jnb h GLN 27 N -0.25 0.07 -0.01 1.57 -0.00 -1.56 -1.95 115.11 112.97 2jnb h GLN 27 Ca 0.07 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.53 2jnb h GLN 27 Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.80 2jnb h GLN 27 CO -0.19 0.19 -0.77 1.96 0.00 0.00 0.00 178.83 180.03 2jnb h GLN 28 N 0.06 0.12 0.09 1.69 1.08 -0.10 -2.51 115.11 115.55 2jnb h GLN 28 Ca 0.01 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2jnb h GLN 28 Cb 0.26 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2jnb h GLN 28 CO 0.02 0.83 -0.05 1.03 -0.95 0.00 0.00 178.83 179.71 2jnb h SER 29 N 0.08 -0.11 0.27 1.46 0.87 0.15 -3.12 113.55 113.14 2jnb h SER 29 Ca -0.02 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 2jnb h SER 29 Cb 1.35 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2jnb h SER 29 CO 0.11 0.37 -0.15 0.00 -0.53 0.00 0.00 176.83 176.63 2jnb h ASN 31 N 0.00 0.00 -0.76 0.00 -1.24 -1.39 -1.39 115.58 110.80 2jnb h ASN 31 Ca -0.00 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.71 2jnb h ASN 31 Cb 0.32 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 39.19 2jnb h ASN 31 CO 0.02 0.11 0.38 0.00 -1.29 0.00 0.00 177.43 176.64 2jnb n TYR 32 N -4.11 2.46 -2.84 0.67 4.19 -0.74 -4.88 117.16 111.91 2jnb n TYR 32 Ca -0.02 -1.33 -0.21 0.00 3.31 0.00 0.00 57.90 59.65 2jnb n TYR 32 Cb 0.19 -0.73 0.01 0.00 0.49 0.00 0.00 39.34 39.30 2jnb n TYR 32 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 2jnb n LYS 33 N -0.41 -3.53 -4.24 2.98 4.81 -0.52 -4.97 118.16 112.27 2jnb n LYS 33 Ca 0.44 0.84 -0.19 0.00 -0.87 0.00 0.00 58.31 58.52 2jnb n LYS 33 Cb 1.40 -5.60 -0.16 0.00 0.02 0.00 0.00 35.03 30.70 2jnb n LYS 33 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2jnb s GLN 34 N -5.50 0.76 0.11 1.64 -0.21 -0.97 -5.02 119.66 110.48 2jnb s GLN 34 Ca 0.20 -0.19 -0.26 0.00 0.02 0.00 0.00 55.36 55.13 2jnb s GLN 34 Cb -0.09 -0.74 0.08 0.00 1.00 0.00 0.00 33.01 33.25 2jnb s GLN 34 CO 0.25 0.04 1.05 -0.48 -2.12 0.00 0.00 175.29 174.03 2jnb s LEU 35 N 0.39 -0.13 -0.30 2.90 0.05 -1.26 -1.80 118.68 118.53 2jnb s LEU 35 Ca -0.05 -0.36 -0.04 0.00 0.05 0.00 0.00 54.13 53.73 2jnb s LEU 35 Cb -0.09 1.95 0.18 0.00 -2.05 0.00 0.00 46.19 46.18 2jnb s LEU 35 CO 0.00 -0.76 0.66 -0.13 -0.55 0.00 0.00 176.35 175.57 2jnb s ARG 36 N -2.97 0.53 -0.54 1.48 1.81 -1.24 -4.96 118.95 113.06 2jnb s ARG 36 Ca 0.14 0.99 0.04 0.00 -1.72 0.00 0.00 55.73 55.18 2jnb s ARG 36 Cb 0.00 0.56 0.15 0.00 -0.45 0.00 0.00 34.95 35.22 2jnb s ARG 36 CO 0.01 -0.52 0.36 0.15 -0.68 0.00 0.00 175.30 174.62 2jnb s LYS 37 N 2.86 1.72 -0.30 3.54 3.01 -1.26 -1.19 119.74 128.12 2jnb s LYS 37 Ca 0.15 -2.59 -0.15 0.00 -1.01 0.00 0.00 55.97 52.37 2jnb s LYS 37 Cb -0.14 -2.66 0.18 0.00 -1.01 0.00 0.00 37.83 34.19 2jnb s LYS 37 CO -0.20 -1.25 1.07 0.20 0.51 0.00 0.00 175.35 175.68 2jnb s GLY 38 N -0.45 -0.16 0.02 -3.33 0.00 -1.19 -5.03 107.32 97.18 2jnb s GLY 38 Ca 0.23 3.05 -0.11 0.00 0.00 0.00 0.00 44.72 47.90 2jnb s GLY 38 CO -0.10 3.49 1.17 0.00 0.00 0.00 0.00 173.10 177.66 2jnb h ALA 39 N 7.61 -1.06 -0.82 3.20 0.00 -1.97 0.84 119.26 127.06 2jnb h ALA 39 Ca -0.14 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2jnb h ALA 39 Cb 1.14 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2jnb h ALA 39 CO 0.01 -1.04 0.49 -0.91 0.00 0.00 0.00 179.25 177.80 2jnb h ASN 40 N -0.39 0.75 0.06 0.00 2.35 -1.94 -0.31 115.58 116.12 2jnb h ASN 40 Ca -0.04 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2jnb h ASN 40 Cb 0.30 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2jnb h ASN 40 CO 0.05 0.47 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.93 2jnb h GLU 41 N 0.88 0.00 -0.49 0.81 4.39 -1.95 -1.76 114.58 116.46 2jnb h GLU 41 Ca 0.37 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.18 2jnb h GLU 41 Cb 0.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2jnb h GLU 41 CO -0.19 0.05 0.34 0.00 -1.16 0.00 0.00 179.01 178.05 2jnb h ALA 42 N 1.95 2.28 -0.04 3.43 0.00 0.10 0.39 119.26 127.37 2jnb h ALA 42 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jnb h ALA 42 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jnb h ALA 42 CO 0.01 -0.41 -0.07 1.15 0.00 0.00 0.00 179.25 179.93 2jnb h THR 43 N 0.14 1.08 0.01 0.00 2.02 -1.39 -0.10 112.91 114.66 2jnb h THR 43 Ca 0.23 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2jnb h THR 43 Cb 0.74 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jnb h THR 43 CO -0.03 0.10 -0.10 0.11 0.37 0.00 0.00 175.52 175.98 2jnb h LYS 44 N 0.06 0.04 -0.41 6.66 1.79 -1.08 -2.28 116.57 121.36 2jnb h LYS 44 Ca 0.01 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2jnb h LYS 44 Cb 0.16 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2jnb h LYS 44 CO 0.01 0.96 0.21 1.79 -1.08 0.00 0.00 179.45 181.33 2jnb h THR 45 N -0.84 1.14 -0.02 -0.16 1.35 -1.30 0.24 112.91 113.32 2jnb h THR 45 Ca -0.02 -0.37 -0.24 0.00 -0.55 0.00 0.00 66.41 65.24 2jnb h THR 45 Cb 1.00 0.61 0.01 0.00 -1.73 0.00 0.00 68.15 68.03 2jnb h THR 45 CO 0.02 0.15 -0.95 0.25 -0.25 0.00 0.00 175.52 174.75 2jnb h LEU 46 N 0.57 0.68 -0.43 3.87 5.85 -1.11 -2.43 115.31 122.31 2jnb h LEU 46 Ca 0.14 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 2jnb h LEU 46 Cb 0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2jnb h LEU 46 CO -0.02 1.33 -0.23 0.78 -0.34 0.00 0.00 178.44 179.96 2jnb h ASN 47 N 0.31 0.00 0.66 1.25 4.21 -0.87 -3.09 115.58 118.05 2jnb h ASN 47 Ca -0.09 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.37 2jnb h ASN 47 Cb 1.58 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.78 2jnb h ASN 47 CO 0.17 0.23 -0.22 -0.09 -1.29 0.00 0.00 177.43 176.23 2jnb h ARG 48 N 0.00 0.00 0.00 0.81 2.43 -0.51 -3.47 114.38 113.64 2jnb h ARG 48 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jnb h ARG 48 Cb 1.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2jnb h ARG 48 CO 0.03 0.22 0.00 0.41 -1.51 0.00 0.00 179.97 179.12 2jnb n GLY 49 N -0.19 1.10 0.00 2.80 0.00 -1.17 -4.96 105.19 102.77 2jnb n GLY 49 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.30 0.00 -3.00 -0.61 -6.64 -1.20 -4.96 119.36 100.66 2jnb n ILE 50 Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 2jnb n ILE 50 Cb 0.12 -0.28 -0.05 0.00 -1.44 0.00 0.00 39.64 38.00 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2jnb s SER 51 N -2.47 6.26 -0.14 7.28 0.01 -0.92 -3.95 113.70 119.77 2jnb s SER 51 Ca 0.00 -0.71 0.06 0.00 1.31 0.00 0.00 55.95 56.61 2jnb s SER 51 Cb 0.00 -2.36 -0.13 0.00 0.21 0.00 0.00 66.02 63.74 2jnb s SER 51 CO 0.00 -1.08 -0.05 1.21 0.41 0.00 0.00 173.24 173.73 2jnb n GLU 52 N 6.83 1.19 -3.74 12.44 2.13 -1.26 -4.67 120.64 133.56 2jnb n GLU 52 Ca -0.03 0.04 -0.38 0.00 0.66 0.00 0.00 57.16 57.45 2jnb n GLU 52 Cb 0.46 -1.32 -0.12 0.00 0.27 0.00 0.00 31.44 30.72 2jnb n GLU 52 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2jnb s PHE 53 N -2.32 3.19 0.09 4.31 5.36 -1.24 -4.83 117.98 122.54 2jnb s PHE 53 Ca -0.14 -1.09 0.07 0.00 -0.96 0.00 0.00 56.93 54.81 2jnb s PHE 53 Cb 0.05 -2.28 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2jnb s PHE 53 CO 0.45 -0.62 -0.19 0.42 -1.46 0.00 0.00 175.22 173.81 2jnb s ILE 54 N 1.48 1.56 0.01 3.12 -1.09 -1.26 -1.72 121.20 123.29 2jnb s ILE 54 Ca 0.01 -1.47 -0.03 0.00 -2.23 0.00 0.00 60.65 56.93 2jnb s ILE 54 Cb -0.18 -1.43 -0.01 0.00 -1.58 0.00 0.00 42.46 39.26 2jnb s ILE 54 CO 0.03 -0.10 0.04 -0.69 -1.23 0.00 0.00 174.94 172.99 2jnb s VAL 55 N -1.18 0.09 0.07 2.92 1.01 -1.19 -3.92 120.40 118.20 2jnb s VAL 55 Ca 0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2jnb s VAL 55 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2jnb s VAL 55 CO 0.04 -0.42 0.07 0.00 0.00 0.00 0.00 175.10 174.79 2jnb s MET 56 N -1.31 0.71 -0.28 2.72 0.23 -1.24 -2.59 119.30 117.54 2jnb s MET 56 Ca -0.14 -1.08 -0.23 0.00 -1.03 0.00 0.00 55.69 53.21 2jnb s MET 56 Cb -0.08 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 2jnb s MET 56 CO -0.00 -0.18 0.74 0.00 -2.03 0.00 0.00 175.02 173.55 2jnb s ALA 57 N -3.83 3.57 0.60 3.16 0.00 -1.17 -3.56 121.76 120.53 2jnb s ALA 57 Ca 0.05 -0.40 0.30 0.00 0.00 0.00 0.00 51.96 51.91 2jnb s ALA 57 Cb 0.06 -3.21 1.71 0.00 0.00 0.00 0.00 23.12 21.68 2jnb s ALA 57 CO -0.10 -1.05 2.11 0.00 0.00 0.00 0.00 175.76 176.72 2jnb h ALA 58 N 8.00 1.72 -0.66 0.00 0.00 -1.93 -0.12 119.26 126.27 2jnb h ALA 58 Ca -0.25 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.23 2jnb h ALA 58 Cb 1.10 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.65 2jnb h ALA 58 CO 0.85 -0.27 -0.01 -0.40 0.00 0.00 0.00 179.25 179.41 2jnb n ASP 59 N -3.71 4.41 -4.47 0.00 5.75 -1.26 -4.99 116.55 112.28 2jnb n ASP 59 Ca 0.01 -3.77 -0.32 0.00 -0.01 0.00 0.00 54.79 50.70 2jnb n ASP 59 Cb 0.30 -0.65 -0.13 0.00 -1.03 0.00 0.00 41.12 39.62 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jnb s ALA 60 N -3.49 2.63 0.16 2.12 0.00 -0.06 -5.09 121.76 118.03 2jnb s ALA 60 Ca 0.52 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2jnb s ALA 60 Cb 0.44 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 2jnb s ALA 60 CO 0.01 0.56 -0.08 -1.21 0.00 0.00 0.00 175.76 175.05 2jnb s GLU 61 N -1.00 1.10 0.74 0.00 2.02 -1.26 -4.22 118.70 116.08 2jnb s GLU 61 Ca 0.13 -1.49 -0.12 0.00 0.02 0.00 0.00 54.97 53.51 2jnb s GLU 61 Cb -0.11 -0.58 0.04 0.00 0.10 0.00 0.00 34.13 33.59 2jnb s GLU 61 CO 0.02 0.03 1.10 -1.25 0.02 0.00 0.00 175.26 175.18 2jnb s PRO 62 N -3.78 2.39 -0.03 0.39 0.04 -1.26 -4.93 135.00 127.82 2jnb s PRO 62 Ca 0.19 1.23 0.15 0.00 0.04 0.00 0.00 61.00 62.61 2jnb s PRO 62 Cb 0.03 -1.91 -0.21 0.00 0.04 0.00 0.00 34.50 32.46 2jnb s PRO 62 CO 0.02 -1.55 0.62 -0.11 0.04 0.00 0.00 177.00 176.03 2jnb n LEU 63 N -3.22 0.72 -0.12 -3.56 7.94 -1.26 -4.26 117.00 113.23 2jnb n LEU 63 Ca 0.09 0.33 -0.04 0.00 -1.11 0.00 0.00 56.01 55.28 2jnb n LEU 63 Cb 0.53 0.18 0.02 0.00 0.53 0.00 0.00 43.42 44.68 2jnb n LEU 63 CO 0.52 0.31 0.80 -0.33 -1.11 0.00 0.00 177.39 177.58 2jnb h GLU 64 N 0.00 0.03 -0.60 1.96 5.08 -1.98 0.32 114.58 119.39 2jnb h GLU 64 Ca -0.28 -0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.26 2jnb h GLU 64 Cb 1.88 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 2jnb h GLU 64 CO 0.06 0.02 0.44 -0.84 -1.00 0.00 0.00 179.01 177.69 2jnb h ILE 65 N 0.03 0.66 0.00 3.13 3.07 -2.01 0.25 117.51 122.63 2jnb h ILE 65 Ca 0.20 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.56 2jnb h ILE 65 Cb 0.30 0.69 -0.01 0.00 -0.27 0.00 0.00 36.82 37.53 2jnb h ILE 65 CO -0.40 0.00 -1.17 -0.38 -1.05 0.00 0.00 178.15 175.15 2jnb n ILE 66 N -4.30 0.78 0.19 0.16 5.41 0.34 -3.90 119.36 118.03 2jnb n ILE 66 Ca 0.11 -0.59 0.07 0.00 1.00 0.00 0.00 62.75 63.34 2jnb n ILE 66 Cb 0.68 -0.45 0.26 0.00 -0.71 0.00 0.00 39.64 39.43 2jnb n ILE 66 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2jnb h LEU 67 N 0.00 0.00 0.00 1.39 5.85 0.29 -3.04 115.31 119.80 2jnb h LEU 67 Ca -0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2jnb h LEU 67 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2jnb h LEU 67 CO 0.01 0.34 -0.46 -0.74 -0.34 0.00 0.00 178.44 177.25 2jnb h HIS 68 N 0.00 0.00 0.18 1.25 2.76 -1.41 -3.35 115.15 114.58 2jnb h HIS 68 Ca -0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2jnb h HIS 68 Cb 1.02 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 2jnb h HIS 68 CO 0.00 0.37 -0.51 -0.07 -1.30 0.00 0.00 177.93 176.42 2jnb h LEU 69 N 0.00 -1.51 -9.78 0.26 3.38 -1.65 -3.41 115.31 102.60 2jnb h LEU 69 Ca -0.01 0.15 -0.52 0.00 0.09 0.00 0.00 57.88 57.59 2jnb h LEU 69 Cb 1.29 0.55 0.04 0.00 0.09 0.00 0.00 40.66 42.63 2jnb h LEU 69 CO 0.05 -0.57 0.60 -2.16 0.09 0.00 0.00 178.44 176.45 2jnb s PRO 70 N -5.81 4.44 -0.14 1.13 0.04 -1.26 -4.98 135.00 128.42 2jnb s PRO 70 Ca -0.17 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.80 2jnb s PRO 70 Cb 0.06 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.35 2jnb s PRO 70 CO 0.61 -0.12 0.15 -0.07 0.04 0.00 0.00 177.00 177.62 2jnb h LEU 71 N 4.30 0.00 0.00 -3.56 3.38 -1.89 -3.47 115.31 114.07 2jnb h LEU 71 Ca -0.47 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2jnb h LEU 71 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jnb h LEU 71 CO 0.71 0.85 0.00 0.18 0.09 0.00 0.00 178.44 180.26 2jnb n LEU 72 N -4.64 0.00 -3.92 1.67 7.99 -1.26 -5.14 117.00 111.70 2jnb n LEU 72 Ca -0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.82 2jnb n LEU 72 Cb 0.29 -0.16 -0.03 0.00 -0.11 0.00 0.00 43.42 43.41 2jnb n LEU 72 CO 0.13 -0.35 0.35 0.00 -1.51 0.00 0.00 177.39 176.01 2jnb h GLU 74 N 2.11 0.78 0.00 0.00 9.09 -1.95 -2.11 114.58 122.49 2jnb h GLU 74 Ca -0.23 -0.14 0.00 0.00 0.05 0.00 0.00 59.36 59.04 2jnb h GLU 74 Cb 1.25 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 2jnb h GLU 74 CO 0.30 0.68 -0.88 -3.47 0.05 0.00 0.00 179.01 175.69 2jnb n ASP 75 N -4.30 0.63 0.03 3.06 2.03 -1.26 -2.88 116.55 113.85 2jnb n ASP 75 Ca 0.04 -0.13 -0.17 0.00 0.52 0.00 0.00 54.79 55.04 2jnb n ASP 75 Cb 0.20 0.59 -0.07 0.00 -0.72 0.00 0.00 41.12 41.12 2jnb n ASP 75 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2jnb h LYS 76 N 0.00 0.65 0.00 -0.67 1.79 -1.81 -3.45 116.57 113.08 2jnb h LYS 76 Ca 0.00 -0.63 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 2jnb h LYS 76 Cb 0.71 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2jnb h LYS 76 CO 0.00 1.23 0.00 0.09 -1.08 0.00 0.00 179.45 179.69 2jnb n ASN 77 N -3.85 0.00 -3.55 0.86 5.03 -0.86 -4.89 115.26 108.00 2jnb n ASN 77 Ca -0.08 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.07 2jnb n ASN 77 Cb 0.82 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 39.45 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jnb s VAL 78 N 0.00 0.58 -0.92 2.41 1.01 -0.85 -4.87 120.40 117.76 2jnb s VAL 78 Ca 0.00 -2.02 -0.24 0.00 0.00 0.00 0.00 61.98 59.72 2jnb s VAL 78 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2jnb s VAL 78 CO 0.00 -0.96 1.95 -2.16 0.00 0.00 0.00 175.10 173.93 2jnb s PRO 79 N 0.81 2.55 0.46 2.72 0.04 -1.26 -4.21 135.00 136.11 2jnb s PRO 79 Ca 0.18 -0.33 0.01 0.00 0.04 0.00 0.00 61.00 60.90 2jnb s PRO 79 Cb -0.23 -5.07 -0.01 0.00 0.04 0.00 0.00 34.50 29.23 2jnb s PRO 79 CO 0.00 -3.42 0.05 0.66 0.04 0.00 0.00 177.00 174.34 2jnb n TYR 80 N 14.03 0.78 -3.64 0.56 4.02 -1.26 -4.14 117.16 127.51 2jnb n TYR 80 Ca 0.40 -2.50 -0.06 0.00 -0.01 0.00 0.00 57.90 55.73 2jnb n TYR 80 Cb 0.47 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.51 2jnb n TYR 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jnb s VAL 81 N -2.89 0.00 0.21 -0.72 0.11 -1.25 -4.93 120.40 110.92 2jnb s VAL 81 Ca 0.07 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 2jnb s VAL 81 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 2jnb s VAL 81 CO 0.05 0.00 0.52 -0.36 -3.33 0.00 0.00 175.10 171.98 2jnb s PHE 82 N 0.71 3.44 0.00 1.54 0.08 -1.22 -3.58 117.98 118.95 2jnb s PHE 82 Ca -0.02 0.83 -0.01 0.00 0.12 0.00 0.00 56.93 57.85 2jnb s PHE 82 Cb -0.04 -2.22 -0.00 0.00 -0.57 0.00 0.00 43.02 40.18 2jnb s PHE 82 CO -0.10 0.31 0.01 0.14 -0.10 0.00 0.00 175.22 175.47 2jnb s VAL 83 N -1.76 0.03 -0.68 -0.44 -7.23 -1.23 -2.96 120.40 106.11 2jnb s VAL 83 Ca 0.46 -0.21 -0.04 0.00 -1.81 0.00 0.00 61.98 60.37 2jnb s VAL 83 Cb -0.12 -0.09 0.11 0.00 0.56 0.00 0.00 36.38 36.85 2jnb s VAL 83 CO 0.22 -0.12 2.58 -1.14 -0.31 0.00 0.00 175.10 176.33 2jnb n ARG 84 N 2.72 2.96 -3.31 4.82 0.63 -1.26 -3.70 116.66 119.52 2jnb n ARG 84 Ca -0.15 -2.78 0.03 0.00 -0.92 0.00 0.00 57.85 54.03 2jnb n ARG 84 Cb 0.59 -2.26 -0.02 0.00 0.45 0.00 0.00 32.46 31.22 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 0.13 -1.10 -0.03 6.15 1.04 -1.26 -5.03 113.70 113.59 2jnb s SER 85 Ca 0.57 0.97 0.02 0.00 0.48 0.00 0.00 55.95 57.99 2jnb s SER 85 Cb 0.35 2.04 -0.03 0.00 0.10 0.00 0.00 66.02 68.47 2jnb s SER 85 CO -0.22 -0.21 -0.00 2.29 0.98 0.00 0.00 173.24 176.08 2jnb n LYS 86 N 5.39 2.73 0.09 4.02 2.85 -1.26 -4.36 118.16 127.62 2jnb n LYS 86 Ca -0.06 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.08 2jnb n LYS 86 Cb 0.51 -1.07 -0.08 0.00 -0.65 0.00 0.00 35.03 33.74 2jnb n LYS 86 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 2jnb h GLN 87 N 0.00 -0.19 -0.16 -1.58 5.75 -1.96 -3.00 115.11 113.98 2jnb h GLN 87 Ca -0.08 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.35 2jnb h GLN 87 Cb 1.16 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2jnb h GLN 87 CO 0.00 0.04 -0.29 0.00 -2.65 0.00 0.00 178.83 175.93 2jnb h ALA 88 N 0.42 1.21 -0.58 3.38 0.00 -1.98 -2.20 119.26 119.51 2jnb h ALA 88 Ca -0.02 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.66 2jnb h ALA 88 Cb 0.32 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2jnb h ALA 88 CO 0.03 0.52 0.11 1.25 0.00 0.00 0.00 179.25 181.16 2jnb h LEU 89 N 0.27 -0.02 0.15 0.00 5.85 -1.73 -0.31 115.31 119.51 2jnb h LEU 89 Ca 0.04 0.11 -0.23 0.00 0.84 0.00 0.00 57.88 58.64 2jnb h LEU 89 Cb 0.66 0.16 0.03 0.00 0.37 0.00 0.00 40.66 41.87 2jnb h LEU 89 CO 0.05 0.00 -0.98 1.23 -0.34 0.00 0.00 178.44 178.40 2jnb h GLY 90 N 0.24 0.46 0.40 3.75 0.00 -1.42 -2.96 103.07 103.54 2jnb h GLY 90 Ca 0.30 -1.09 0.18 0.00 0.00 0.00 0.00 47.33 46.72 2jnb h GLY 90 CO -0.40 0.96 0.58 3.21 0.00 0.00 0.00 176.54 180.89 2jnb h ARG 91 N -0.16 0.47 0.07 4.80 3.08 -1.07 0.62 114.38 122.19 2jnb h ARG 91 Ca -0.17 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.62 2jnb h ARG 91 Cb 1.75 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.69 2jnb h ARG 91 CO 0.19 0.31 -1.09 0.00 -1.07 0.00 0.00 179.97 178.31 2jnb h ALA 92 N 1.62 0.26 0.00 0.04 0.00 -1.14 -3.22 119.26 116.82 2jnb h ALA 92 Ca 0.46 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2jnb h ALA 92 Cb 1.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2jnb h ALA 92 CO -0.19 0.99 -0.12 0.00 0.00 0.00 0.00 179.25 179.93 2jnb n GLY 94 N -0.86 0.70 3.19 0.00 0.00 -0.74 -5.02 105.19 102.46 2jnb n GLY 94 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2jnb n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jnb s VAL 95 N -1.15 0.12 0.01 1.61 -7.23 -1.14 -5.06 120.40 107.55 2jnb s VAL 95 Ca 0.00 -1.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.05 2jnb s VAL 95 Cb 0.00 -2.32 -0.35 0.00 0.56 0.00 0.00 36.38 34.28 2jnb s VAL 95 CO 0.00 -0.20 0.93 0.28 -0.31 0.00 0.00 175.10 175.79 2jnb h SER 96 N 2.70 0.77 -2.16 4.85 0.02 -1.96 -3.39 113.55 114.39 2jnb h SER 96 Ca -0.36 -0.93 -0.52 0.00 -0.84 0.00 0.00 61.79 59.14 2jnb h SER 96 Cb 1.23 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 2jnb h SER 96 CO 0.56 1.70 -0.56 -0.13 -1.14 0.00 0.00 176.83 177.26 2jnb s ARG 97 N -2.58 2.67 0.93 3.45 0.52 -1.26 -4.91 118.95 117.76 2jnb s ARG 97 Ca -0.11 -1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 53.76 2jnb s ARG 97 Cb 0.04 -2.40 0.15 0.00 0.52 0.00 0.00 34.95 33.26 2jnb s ARG 97 CO 0.92 0.35 1.09 -1.25 0.02 0.00 0.00 175.30 176.44 2jnb s PRO 98 N -3.79 1.01 -0.01 3.54 0.04 -1.26 -4.64 135.00 129.87 2jnb s PRO 98 Ca 0.33 0.72 0.03 0.00 0.04 0.00 0.00 61.00 62.12 2jnb s PRO 98 Cb -0.07 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2jnb s PRO 98 CO 0.23 -2.39 -0.08 0.54 0.04 0.00 0.00 177.00 175.35 2jnb s VAL 99 N -2.95 3.60 0.00 -0.36 0.11 -1.26 -4.91 120.40 114.64 2jnb s VAL 99 Ca 0.64 -0.72 -0.20 0.00 -2.93 0.00 0.00 61.98 58.77 2jnb s VAL 99 Cb -0.18 -2.53 -0.24 0.00 -1.53 0.00 0.00 36.38 31.90 2jnb s VAL 99 CO 0.57 0.45 1.09 0.40 -3.33 0.00 0.00 175.10 174.28 2jnb h ILE 100 N 3.90 1.43 -2.67 7.04 1.08 -1.95 -3.44 117.51 122.90 2jnb h ILE 100 Ca -0.48 -2.10 -0.15 0.00 -0.39 0.00 0.00 64.86 61.74 2jnb h ILE 100 Cb 1.17 2.62 -0.29 0.00 -3.07 0.00 0.00 36.82 37.24 2jnb h ILE 100 CO 0.53 0.61 -0.43 0.00 -0.69 0.00 0.00 178.15 178.17 2jnb s ALA 101 N -3.18 -0.90 0.28 1.87 0.00 -1.26 -3.07 121.76 115.51 2jnb s ALA 101 Ca -0.13 1.27 0.09 0.00 0.00 0.00 0.00 51.96 53.19 2jnb s ALA 101 Cb 0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2jnb s ALA 101 CO 0.82 -0.67 0.06 0.00 0.00 0.00 0.00 175.76 175.98 2jnb s SER 103 N -3.74 2.16 -0.13 0.00 0.01 -0.33 -3.16 113.70 108.50 2jnb s SER 103 Ca 0.33 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2jnb s SER 103 Cb -0.05 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.08 2jnb s SER 103 CO 0.21 0.02 -0.12 -0.69 0.41 0.00 0.00 173.24 173.07 2jnb s VAL 104 N -1.13 1.39 -0.06 3.43 1.01 -0.70 -3.60 120.40 120.75 2jnb s VAL 104 Ca 0.03 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2jnb s VAL 104 Cb -0.10 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2jnb s VAL 104 CO 0.03 0.43 0.18 0.42 0.00 0.00 0.00 175.10 176.15 2jnb s THR 105 N 1.44 5.45 -0.12 3.92 -4.23 -1.26 -3.68 115.64 117.16 2jnb s THR 105 Ca 0.03 0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 60.57 2jnb s THR 105 Cb -0.13 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 2jnb s THR 105 CO -0.08 0.47 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.93 2jnb s ILE 106 N -1.18 4.04 -0.28 2.99 2.07 -1.25 -5.03 121.20 122.55 2jnb s ILE 106 Ca 0.22 -0.33 0.02 0.00 -1.41 0.00 0.00 60.65 59.15 2jnb s ILE 106 Cb -0.12 -2.73 0.06 0.00 0.13 0.00 0.00 42.46 39.80 2jnb s ILE 106 CO 0.12 0.55 -0.07 -0.75 -1.91 0.00 0.00 174.94 172.87 2jnb s LYS 107 N -0.27 2.23 0.04 3.50 2.47 -1.26 -5.05 119.74 121.40 2jnb s LYS 107 Ca 0.05 -1.37 -0.30 0.00 -1.56 0.00 0.00 55.97 52.79 2jnb s LYS 107 Cb -0.12 -2.99 -0.09 0.00 -1.46 0.00 0.00 37.83 33.17 2jnb s LYS 107 CO 0.02 -0.61 1.88 -1.21 0.16 0.00 0.00 175.35 175.60 2jnb s GLU 108 N 1.12 4.15 0.00 4.03 2.02 -1.26 -2.98 118.70 125.79 2jnb s GLU 108 Ca -0.07 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.47 2jnb s GLU 108 Cb -0.20 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 30.03 2jnb s GLU 108 CO -0.04 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.74 2jnb n GLY 109 N 4.40 3.80 3.80 -1.39 0.00 -1.26 -5.11 105.19 109.44 2jnb n GLY 109 Ca 0.19 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 7.10 0.56 1.61 1.04 -1.16 -4.93 113.70 117.93 2jnb s SER 110 Ca 0.00 1.80 0.26 0.00 0.48 0.00 0.00 55.95 58.50 2jnb s SER 110 Cb 0.00 -2.56 1.52 0.00 0.10 0.00 0.00 66.02 65.08 2jnb s SER 110 CO 0.00 -0.24 2.05 0.06 0.98 0.00 0.00 173.24 176.09 2jnb h GLN 111 N 2.57 0.00 -0.58 4.02 -0.00 -1.99 -0.50 115.11 118.64 2jnb h GLN 111 Ca -0.48 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.34 2jnb h GLN 111 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.65 2jnb h GLN 111 CO 0.63 0.00 0.45 1.25 -0.00 0.00 0.00 178.83 181.16 2jnb h LEU 112 N 0.00 0.00 -1.93 0.06 6.46 -1.91 0.43 115.31 118.41 2jnb h LEU 112 Ca 0.14 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 58.13 2jnb h LEU 112 Cb 0.68 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 2jnb h LEU 112 CO -0.00 0.00 0.57 0.50 -0.62 0.00 0.00 178.44 178.89 2jnb h LYS 113 N 0.00 0.05 0.10 1.25 3.64 -1.32 -0.16 116.57 120.13 2jnb h LYS 113 Ca 0.28 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.45 2jnb h LYS 113 Cb 1.17 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2jnb h LYS 113 CO -0.00 0.04 -0.85 0.37 -2.27 0.00 0.00 179.45 176.73 2jnb h GLN 114 N 0.06 0.41 -0.41 1.90 5.75 -1.12 -2.04 115.11 119.66 2jnb h GLN 114 Ca 0.39 -0.57 0.07 0.00 -0.15 0.00 0.00 58.65 58.39 2jnb h GLN 114 Cb 1.46 0.19 -0.06 0.00 1.07 0.00 0.00 27.48 30.14 2jnb h GLN 114 CO -0.03 1.23 0.05 1.96 -2.65 0.00 0.00 178.83 179.40 2jnb h GLN 115 N -0.14 0.17 -0.05 1.69 1.08 -1.11 0.22 115.11 116.96 2jnb h GLN 115 Ca -0.13 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 56.89 2jnb h GLN 115 Cb 1.61 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 2jnb h GLN 115 CO 0.16 0.11 -0.70 0.82 -0.95 0.00 0.00 178.83 178.27 2jnb h ILE 116 N 0.17 1.41 -0.24 2.54 2.04 -1.48 -3.24 117.51 118.72 2jnb h ILE 116 Ca 0.20 -2.18 -0.02 0.00 1.00 0.00 0.00 64.86 63.85 2jnb h ILE 116 Cb 0.26 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2jnb h ILE 116 CO -0.28 0.64 0.06 1.56 0.00 0.00 0.00 178.15 180.13 2jnb h GLN 117 N 0.19 0.38 -0.91 2.37 1.08 -0.57 -0.11 115.11 117.54 2jnb h GLN 117 Ca -0.02 -0.09 0.16 0.00 -1.45 0.00 0.00 58.65 57.25 2jnb h GLN 117 Cb 1.26 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 28.54 2jnb h GLN 117 CO 0.11 0.48 0.50 0.77 -0.95 0.00 0.00 178.83 179.74 2jnb h SER 118 N 0.21 0.63 -0.03 1.46 0.02 -0.64 -0.07 113.55 115.14 2jnb h SER 118 Ca 0.08 0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 2jnb h SER 118 Cb 0.27 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.81 2jnb h SER 118 CO -0.00 0.26 -0.77 0.40 -1.14 0.00 0.00 176.83 175.58 2jnb h ILE 119 N 0.69 1.35 -0.81 3.27 2.04 -1.54 -3.27 117.51 119.24 2jnb h ILE 119 Ca 0.50 -2.09 0.09 0.00 1.00 0.00 0.00 64.86 64.36 2jnb h ILE 119 Cb 0.71 2.40 -0.07 0.00 -0.74 0.00 0.00 36.82 39.12 2jnb h ILE 119 CO -0.36 0.63 0.46 1.56 0.00 0.00 0.00 178.15 180.44 2jnb h GLN 120 N 0.18 0.76 -0.98 2.37 4.20 0.01 -1.14 115.11 120.51 2jnb h GLN 120 Ca -0.09 -0.05 0.16 0.00 0.06 0.00 0.00 58.65 58.74 2jnb h GLN 120 Cb 1.44 -0.17 -0.09 0.00 0.30 0.00 0.00 27.48 28.96 2jnb h GLN 120 CO 0.15 0.50 0.61 0.37 -0.67 0.00 0.00 178.83 179.80 2jnb h GLN 121 N 0.79 0.78 0.00 1.46 4.15 -1.10 0.23 115.11 121.41 2jnb h GLN 121 Ca 0.38 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.71 2jnb h GLN 121 Cb 0.33 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2jnb h GLN 121 CO -0.24 0.51 -0.24 0.66 -1.93 0.00 0.00 178.83 177.60 2jnb h SER 122 N 0.80 0.00 -0.41 -0.69 4.64 -1.30 -2.55 113.55 114.05 2jnb h SER 122 Ca 0.52 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.76 2jnb h SER 122 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2jnb h SER 122 CO -0.30 0.24 -0.03 0.40 -0.87 0.00 0.00 176.83 176.27 2jnb h ILE 123 N 0.00 1.25 -0.83 0.95 2.04 -0.43 -1.07 117.51 119.42 2jnb h ILE 123 Ca -0.00 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 2jnb h ILE 123 Cb 0.44 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2jnb h ILE 123 CO 0.03 0.37 0.41 -0.08 0.00 0.00 0.00 178.15 178.89 2jnb h GLU 124 N 0.76 1.18 -0.01 2.37 4.81 -1.28 0.22 114.58 122.62 2jnb h GLU 124 Ca 0.14 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2jnb h GLU 124 Cb 0.50 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2jnb h GLU 124 CO 0.03 0.89 -0.08 0.00 -0.73 0.00 0.00 179.01 179.12 2jnb h ARG 125 N 1.17 0.08 -0.89 1.92 3.08 -1.49 -3.07 114.38 115.18 2jnb h ARG 125 Ca 0.29 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2jnb h ARG 125 Cb 0.09 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2jnb h ARG 125 CO -0.04 0.74 0.51 -0.07 -1.07 0.00 0.00 179.97 180.05 2jnb h LEU 126 N -0.57 1.09 -0.29 3.04 3.38 -1.10 -2.75 115.31 118.10 2jnb h LEU 126 Ca -0.01 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jnb h LEU 126 Cb 0.76 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2jnb h LEU 126 CO 0.02 0.85 0.04 -0.07 0.09 0.00 0.00 178.44 179.36 2jnb h LEU 127 N 1.23 -0.03 -1.91 1.67 3.38 -0.62 -3.43 115.31 115.61 2jnb h LEU 127 Ca 0.32 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2jnb h LEU 127 Cb -0.01 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jnb h LEU 127 CO -0.06 0.02 0.00 0.52 0.09 0.00 0.00 178.44 179.01