#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnb n THR 2 N 0.00 2.14 -2.42 2.03 -1.04 -1.26 -4.67 114.28 109.07 2jnb n THR 2 Ca 0.00 -3.36 -0.03 0.00 -2.04 0.00 0.00 64.05 58.61 2jnb n THR 2 Cb 0.00 -0.36 0.04 0.00 -1.82 0.00 0.00 70.33 68.19 2jnb n THR 2 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2jnb n GLU 3 N -0.91 0.81 -2.46 -2.82 0.28 -1.26 -5.12 120.64 109.16 2jnb n GLU 3 Ca 0.24 -1.31 -0.42 0.00 -0.16 0.00 0.00 57.16 55.51 2jnb n GLU 3 Cb 0.79 0.31 -0.03 0.00 1.43 0.00 0.00 31.44 33.94 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jnb s ALA 4 N -0.17 3.40 -0.30 -1.84 0.00 -1.26 -4.91 121.76 116.67 2jnb s ALA 4 Ca 0.08 0.75 0.18 0.00 0.00 0.00 0.00 51.96 52.97 2jnb s ALA 4 Cb 0.27 -3.46 0.46 0.00 0.00 0.00 0.00 23.12 20.39 2jnb s ALA 4 CO -0.08 -0.53 1.27 -0.40 0.00 0.00 0.00 175.76 176.03 2jnb n ASP 5 N 4.36 0.26 -4.93 0.00 5.68 -1.26 -5.13 116.55 115.53 2jnb n ASP 5 Ca 0.09 -2.17 -0.24 0.00 -0.50 0.00 0.00 54.79 51.98 2jnb n ASP 5 Cb 0.47 0.02 0.06 0.00 -1.14 0.00 0.00 41.12 40.53 2jnb n ASP 5 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2jnb s VAL 6 N -2.10 2.43 0.96 2.12 -7.23 -1.26 -5.05 120.40 110.26 2jnb s VAL 6 Ca 0.20 -0.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.81 2jnb s VAL 6 Cb 0.38 -2.99 0.07 0.00 0.56 0.00 0.00 36.38 34.40 2jnb s VAL 6 CO -0.07 0.00 0.55 0.59 -0.31 0.00 0.00 175.10 175.86 2jnb n ASN 7 N -2.69 -1.60 -0.05 4.85 4.13 -1.26 -4.94 115.26 113.70 2jnb n ASN 7 Ca 0.08 0.32 -0.13 0.00 1.68 0.00 0.00 54.58 56.53 2jnb n ASN 7 Cb 0.60 -1.25 -0.07 0.00 -1.54 0.00 0.00 39.78 37.52 2jnb n ASN 7 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2jnb h PRO 8 N -1.68 0.35 -5.65 3.52 0.13 -1.97 -3.48 132.00 123.23 2jnb h PRO 8 Ca -0.44 -0.19 -0.43 0.00 -0.87 0.00 0.00 66.00 64.07 2jnb h PRO 8 Cb 1.28 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.43 2jnb h PRO 8 CO 0.36 0.74 -0.67 1.17 -0.23 0.00 0.00 178.00 179.37 2jnb n LYS 9 N -4.56 -5.40 -2.66 0.86 3.00 -1.26 -0.82 118.16 107.33 2jnb n LYS 9 Ca -0.06 0.68 -0.18 0.00 -0.00 0.00 0.00 58.31 58.75 2jnb n LYS 9 Cb 0.36 -5.56 0.00 0.00 0.00 0.00 0.00 35.03 29.83 2jnb n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jnb n ALA 10 N -4.26 -0.80 -2.38 3.14 0.00 -1.26 -4.96 120.51 109.98 2jnb n ALA 10 Ca -0.01 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.39 2jnb n ALA 10 Cb 0.55 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 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 -2.91 1.86 0.94 0.00 1.51 -0.00 -4.28 117.35 114.47 2jnb s TYR 11 Ca 0.11 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.54 2jnb s TYR 11 Cb -0.05 -0.85 0.15 0.00 -0.11 0.00 0.00 41.96 41.10 2jnb s TYR 11 CO 0.13 0.45 1.09 -1.25 -1.11 0.00 0.00 175.55 174.87 2jnb s PRO 12 N -3.61 0.91 -0.09 -1.71 0.04 -1.26 -4.87 135.00 124.41 2jnb s PRO 12 Ca 0.24 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 61.96 2jnb s PRO 12 Cb -0.02 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.78 2jnb s PRO 12 CO 0.09 -2.45 0.04 -1.17 0.04 0.00 0.00 177.00 173.56 2jnb s LEU 13 N -6.32 0.40 -0.19 -3.56 2.96 -1.26 -2.86 118.68 107.85 2jnb s LEU 13 Ca 0.64 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.09 2jnb s LEU 13 Cb -0.18 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.22 2jnb s LEU 13 CO 0.57 -0.25 1.04 0.00 -1.32 0.00 0.00 176.35 176.39 2jnb s ALA 14 N 2.08 3.60 0.88 5.97 0.00 -1.26 -5.01 121.76 128.02 2jnb s ALA 14 Ca 0.04 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 2jnb s ALA 14 Cb -0.13 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.52 2jnb s ALA 14 CO -0.05 -0.92 0.72 -0.40 0.00 0.00 0.00 175.76 175.11 2jnb n ASP 15 N 5.94 -0.88 -0.21 0.00 5.68 -1.26 -4.48 116.55 121.34 2jnb n ASP 15 Ca 0.11 0.44 0.22 0.00 -0.50 0.00 0.00 54.79 55.06 2jnb n ASP 15 Cb 0.47 -1.32 0.59 0.00 -1.14 0.00 0.00 41.12 39.72 2jnb n ASP 15 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jnb h ALA 16 N -1.31 2.43 -0.95 2.12 0.00 -1.97 0.13 119.26 119.71 2jnb h ALA 16 Ca -0.44 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.55 2jnb h ALA 16 Cb 1.29 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 2jnb h ALA 16 CO 0.39 -0.70 0.61 1.25 0.00 0.00 0.00 179.25 180.80 2jnb h HIS 17 N 0.25 1.09 0.08 0.00 -0.00 -2.01 0.21 115.15 114.78 2jnb h HIS 17 Ca 0.44 0.03 -0.31 0.00 -0.00 0.00 0.00 60.37 60.54 2jnb h HIS 17 Cb 1.34 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 28.37 2jnb h HIS 17 CO -0.00 0.54 -1.61 -0.07 -0.00 0.00 0.00 177.93 176.78 2jnb h LEU 18 N 1.04 0.28 -1.24 0.26 3.38 -1.13 -3.34 115.31 114.56 2jnb h LEU 18 Ca 0.42 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2jnb h LEU 18 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2jnb h LEU 18 CO -0.18 1.38 -0.17 0.74 0.09 0.00 0.00 178.44 180.30 2jnb h THR 19 N 0.05 1.21 -0.38 0.22 2.02 -0.62 -1.54 112.91 113.88 2jnb h THR 19 Ca -0.27 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.00 2jnb h THR 19 Cb 2.00 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 69.63 2jnb h THR 19 CO 0.13 0.30 0.08 0.11 0.37 0.00 0.00 175.52 176.51 2jnb h LYS 20 N 0.29 0.20 -0.01 6.66 1.79 -0.71 0.19 116.57 124.98 2jnb h LYS 20 Ca 0.05 -0.01 -0.24 0.00 -2.18 0.00 0.00 60.65 58.27 2jnb h LYS 20 Cb 0.48 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2jnb h LYS 20 CO 0.03 0.13 -0.98 0.87 -1.08 0.00 0.00 179.45 178.43 2jnb h LYS 21 N 0.21 0.55 -0.51 3.15 1.57 -1.68 -3.28 116.57 116.57 2jnb h LYS 21 Ca 0.18 -0.58 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2jnb h LYS 21 Cb 0.21 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2jnb h LYS 21 CO -0.23 1.20 0.33 1.25 -0.57 0.00 0.00 179.45 181.43 2jnb h LEU 22 N 0.31 0.57 -1.96 2.94 6.46 -0.86 -1.70 115.31 121.07 2jnb h LEU 22 Ca -0.10 -0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.79 2jnb h LEU 22 Cb 1.62 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.39 2jnb h LEU 22 CO 0.18 0.41 0.36 -0.07 -0.62 0.00 0.00 178.44 178.70 2jnb h LEU 23 N 0.67 0.04 -1.15 2.25 4.07 -0.69 0.21 115.31 120.71 2jnb h LEU 23 Ca 0.19 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.07 2jnb h LEU 23 Cb -0.06 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2jnb h LEU 23 CO -0.05 0.02 -0.39 -0.78 -1.08 0.00 0.00 178.44 176.16 2jnb h ASP 24 N 0.04 0.00 -0.95 -0.43 1.82 -1.38 -3.00 116.42 112.53 2jnb h ASP 24 Ca 0.24 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.92 2jnb h ASP 24 Cb 0.90 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.86 2jnb h ASP 24 CO -0.01 0.39 0.62 0.25 -1.61 0.00 0.00 179.24 178.88 2jnb h LEU 25 N 0.00 1.02 -0.23 2.28 7.12 -0.51 -2.62 115.31 122.37 2jnb h LEU 25 Ca -0.00 -0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.06 2jnb h LEU 25 Cb 0.77 -0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 40.61 2jnb h LEU 25 CO 0.05 0.69 -0.19 0.58 -0.13 0.00 0.00 178.44 179.44 2jnb h VAL 26 N 1.18 0.49 -0.39 1.05 2.07 -1.58 0.51 116.25 119.57 2jnb h VAL 26 Ca 0.39 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.01 2jnb h VAL 26 Cb 0.04 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2jnb h VAL 26 CO -0.13 0.00 0.28 -0.61 0.02 0.00 0.00 177.57 177.13 2jnb h GLN 27 N -0.19 0.05 -0.01 1.57 5.75 -1.60 0.45 115.11 121.13 2jnb h GLN 27 Ca 0.13 -0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.46 2jnb h GLN 27 Cb 0.39 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 2jnb h GLN 27 CO -0.35 0.04 -0.78 1.96 -2.65 0.00 0.00 178.83 177.05 2jnb h GLN 28 N 0.06 0.12 0.09 1.69 4.20 -0.79 -2.66 115.11 117.81 2jnb h GLN 28 Ca 0.19 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2jnb h GLN 28 Cb 0.67 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2jnb h GLN 28 CO -0.01 0.84 -0.04 1.03 -0.67 0.00 0.00 178.83 179.97 2jnb h SER 29 N 0.07 -0.11 0.13 1.46 0.87 0.44 -3.00 113.55 113.42 2jnb h SER 29 Ca -0.02 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 2jnb h SER 29 Cb 1.37 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2jnb h SER 29 CO 0.11 0.42 -0.07 0.00 -0.53 0.00 0.00 176.83 176.76 2jnb h ASN 31 N 0.00 0.00 -0.57 0.00 -1.24 -1.43 -2.83 115.58 109.51 2jnb h ASN 31 Ca -0.00 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.85 2jnb h ASN 31 Cb 0.16 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 39.11 2jnb h ASN 31 CO 0.01 0.09 0.20 -1.22 -1.29 0.00 0.00 177.43 175.21 2jnb n TYR 32 N -3.19 1.91 -2.61 0.67 4.02 -0.28 -4.87 117.16 112.81 2jnb n TYR 32 Ca 0.01 -0.94 -0.20 0.00 -0.01 0.00 0.00 57.90 56.76 2jnb n TYR 32 Cb 0.40 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 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 -0.00 -2.64 -3.88 -0.72 5.02 -1.07 -4.97 118.16 109.90 2jnb n LYS 33 Ca 0.31 0.88 -0.14 0.00 -2.02 0.00 0.00 58.31 57.34 2jnb n LYS 33 Cb 1.15 -5.59 -0.15 0.00 -0.02 0.00 0.00 35.03 30.42 2jnb n LYS 33 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2jnb s GLN 34 N -5.25 0.10 -0.22 1.97 -2.07 -1.06 -5.05 119.66 108.08 2jnb s GLN 34 Ca 0.09 0.06 -0.28 0.00 -1.82 0.00 0.00 55.36 53.41 2jnb s GLN 34 Cb -0.04 -0.23 0.13 0.00 -1.09 0.00 0.00 33.01 31.77 2jnb s GLN 34 CO 0.12 -0.07 1.04 -1.17 -1.32 0.00 0.00 175.29 173.88 2jnb s LEU 35 N 0.57 -0.38 -0.14 2.60 1.98 -1.26 -2.39 118.68 119.65 2jnb s LEU 35 Ca -0.05 0.55 -0.04 0.00 -2.89 0.00 0.00 54.13 51.71 2jnb s LEU 35 Cb -0.08 1.81 0.06 0.00 0.66 0.00 0.00 46.19 48.65 2jnb s LEU 35 CO -0.01 -0.25 0.16 -0.60 -1.89 0.00 0.00 176.35 173.76 2jnb s ARG 36 N -0.55 0.09 -0.41 1.98 6.06 -1.24 -5.03 118.95 119.85 2jnb s ARG 36 Ca 0.01 0.29 0.03 0.00 -2.50 0.00 0.00 55.73 53.55 2jnb s ARG 36 Cb -0.02 -0.95 0.12 0.00 0.06 0.00 0.00 34.95 34.15 2jnb s ARG 36 CO -0.02 -0.51 0.16 0.15 -2.50 0.00 0.00 175.30 172.58 2jnb s LYS 37 N 2.26 1.44 -0.27 5.12 1.02 -1.26 -0.77 119.74 127.28 2jnb s LYS 37 Ca 0.04 -1.98 -0.26 0.00 0.02 0.00 0.00 55.97 53.80 2jnb s LYS 37 Cb -0.14 -2.82 0.15 0.00 -0.52 0.00 0.00 37.83 34.50 2jnb s LYS 37 CO -0.08 -1.05 1.21 0.20 -0.92 0.00 0.00 175.35 174.71 2jnb s GLY 38 N 0.57 0.05 -0.01 -3.33 0.00 0.32 -4.99 107.32 99.93 2jnb s GLY 38 Ca 0.14 2.94 -0.15 0.00 0.00 0.00 0.00 44.72 47.65 2jnb s GLY 38 CO -0.07 1.72 0.77 0.00 0.00 0.00 0.00 173.10 175.52 2jnb h ALA 39 N 3.43 -0.69 -0.05 3.20 0.00 -1.95 -3.10 119.26 120.11 2jnb h ALA 39 Ca -0.25 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2jnb h ALA 39 Cb 1.18 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2jnb h ALA 39 CO 0.17 -0.65 -0.66 -0.97 0.00 0.00 0.00 179.25 177.13 2jnb h ASN 40 N -0.85 0.26 -0.39 0.00 -0.73 -1.94 -3.03 115.58 108.90 2jnb h ASN 40 Ca -0.05 -0.16 0.11 0.00 1.87 0.00 0.00 56.30 58.07 2jnb h ASN 40 Cb 0.40 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.90 2jnb h ASN 40 CO 0.09 0.85 0.33 -0.33 -0.37 0.00 0.00 177.43 178.00 2jnb h GLU 41 N 0.16 0.00 -0.25 6.67 5.08 -1.96 0.47 114.58 124.75 2jnb h GLU 41 Ca -0.01 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2jnb h GLU 41 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2jnb h GLU 41 CO 0.10 0.00 0.27 0.00 -1.00 0.00 0.00 179.01 178.38 2jnb h ALA 42 N 1.71 1.91 0.00 3.43 0.00 -1.44 0.23 119.26 125.09 2jnb h ALA 42 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2jnb h ALA 42 Cb 0.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2jnb h ALA 42 CO -0.00 -0.40 -0.28 1.79 0.00 0.00 0.00 179.25 180.36 2jnb h THR 43 N 0.00 0.67 0.02 0.00 1.35 -1.11 -3.16 112.91 110.68 2jnb h THR 43 Ca 0.12 -1.26 -0.15 0.00 -0.55 0.00 0.00 66.41 64.58 2jnb h THR 43 Cb 0.66 1.82 0.01 0.00 -1.73 0.00 0.00 68.15 68.92 2jnb h THR 43 CO -0.00 0.27 -0.58 0.11 -0.25 0.00 0.00 175.52 175.07 2jnb h LYS 44 N 0.00 0.35 -0.74 4.72 1.57 -0.69 -2.05 116.57 119.74 2jnb h LYS 44 Ca -0.00 -0.41 0.14 0.00 -1.87 0.00 0.00 60.65 58.50 2jnb h LYS 44 Cb 0.80 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.14 2jnb h LYS 44 CO 0.04 1.10 0.29 1.79 -0.57 0.00 0.00 179.45 182.10 2jnb h THR 45 N -0.22 0.66 -0.01 -0.16 1.35 -1.50 -0.96 112.91 112.07 2jnb h THR 45 Ca -0.08 -0.15 -0.26 0.00 -0.55 0.00 0.00 66.41 65.38 2jnb h THR 45 Cb 1.32 0.19 0.02 0.00 -1.73 0.00 0.00 68.15 67.95 2jnb h THR 45 CO 0.11 0.08 -1.00 0.25 -0.25 0.00 0.00 175.52 174.71 2jnb h LEU 46 N 0.44 0.85 -2.21 3.87 5.85 -1.63 -2.58 115.31 119.89 2jnb h LEU 46 Ca 0.40 -0.67 0.05 0.00 0.84 0.00 0.00 57.88 58.51 2jnb h LEU 46 Cb 0.60 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2jnb h LEU 46 CO -0.40 1.47 0.19 0.78 -0.34 0.00 0.00 178.44 180.14 2jnb h ASN 47 N 0.38 0.00 1.03 1.25 4.21 -0.52 0.96 115.58 122.89 2jnb h ASN 47 Ca -0.11 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.27 2jnb h ASN 47 Cb 1.65 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.83 2jnb h ASN 47 CO 0.19 0.00 -1.03 0.03 -1.29 0.00 0.00 177.43 175.34 2jnb h ARG 48 N 0.00 0.00 -0.29 0.81 3.08 -1.17 -3.49 114.38 113.32 2jnb h ARG 48 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2jnb h ARG 48 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jnb h ARG 48 CO -0.00 0.32 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 2jnb n GLY 49 N 1.31 0.95 0.45 0.04 0.00 0.33 -5.01 105.19 103.26 2jnb n GLY 49 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.65 0.00 -2.96 -0.61 -6.64 -0.98 -5.03 119.36 102.49 2jnb n ILE 50 Ca 0.00 0.00 -0.44 0.00 -1.77 0.00 0.00 62.75 60.54 2jnb n ILE 50 Cb 0.14 0.41 -0.03 0.00 -1.44 0.00 0.00 39.64 38.72 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2jnb s SER 51 N -0.67 6.60 0.08 7.28 0.15 -1.14 -4.12 113.70 121.88 2jnb s SER 51 Ca 0.00 -2.02 -0.20 0.00 0.70 0.00 0.00 55.95 54.44 2jnb s SER 51 Cb 0.00 -2.38 -0.09 0.00 -1.71 0.00 0.00 66.02 61.84 2jnb s SER 51 CO 0.00 -1.05 1.57 -0.33 1.20 0.00 0.00 173.24 174.63 2jnb h GLU 52 N 8.80 0.32 -1.28 5.44 4.39 -1.89 -3.47 114.58 126.90 2jnb h GLU 52 Ca 0.11 -0.08 0.15 0.00 0.34 0.00 0.00 59.36 59.88 2jnb h GLU 52 Cb 1.03 -0.04 -0.29 0.00 -0.10 0.00 0.00 28.75 29.34 2jnb h GLU 52 CO 1.08 0.45 0.72 -0.59 -1.16 0.00 0.00 179.01 179.52 2jnb s PHE 53 N -5.27 -0.22 0.24 4.33 -0.71 -1.25 -4.93 117.98 110.17 2jnb s PHE 53 Ca -0.14 0.50 0.09 0.00 -1.04 0.00 0.00 56.93 56.35 2jnb s PHE 53 Cb 0.07 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 2jnb s PHE 53 CO 0.72 -0.12 -0.02 0.96 -1.34 0.00 0.00 175.22 175.42 2jnb s ILE 54 N -0.10 3.46 0.03 -4.49 -4.36 -1.26 -2.66 121.20 111.81 2jnb s ILE 54 Ca 0.05 -1.80 0.05 0.00 -0.26 0.00 0.00 60.65 58.70 2jnb s ILE 54 Cb -0.04 -2.81 -0.02 0.00 1.25 0.00 0.00 42.46 40.84 2jnb s ILE 54 CO -0.10 -0.30 -0.16 -0.69 0.24 0.00 0.00 174.94 173.93 2jnb s VAL 55 N -2.14 1.27 -0.03 8.37 1.01 -1.09 -3.60 120.40 124.19 2jnb s VAL 55 Ca 0.30 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2jnb s VAL 55 Cb -0.07 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.22 2jnb s VAL 55 CO 0.19 0.13 0.05 0.00 0.00 0.00 0.00 175.10 175.47 2jnb s MET 56 N -0.97 -0.06 0.21 2.72 0.23 -0.74 -2.40 119.30 118.29 2jnb s MET 56 Ca 0.04 0.32 -0.30 0.00 -1.03 0.00 0.00 55.69 54.72 2jnb s MET 56 Cb -0.08 -0.42 -0.09 0.00 -1.53 0.00 0.00 34.83 32.72 2jnb s MET 56 CO 0.01 -0.28 1.28 0.00 -2.03 0.00 0.00 175.02 174.01 2jnb s ALA 57 N 1.81 3.50 0.60 3.16 0.00 -1.16 -3.83 121.76 125.85 2jnb s ALA 57 Ca 0.00 1.08 0.31 0.00 0.00 0.00 0.00 51.96 53.36 2jnb s ALA 57 Cb -0.12 -3.46 1.81 0.00 0.00 0.00 0.00 23.12 21.34 2jnb s ALA 57 CO -0.03 -0.50 2.18 0.00 0.00 0.00 0.00 175.76 177.41 2jnb h ALA 58 N 5.17 1.59 0.00 0.00 0.00 -1.90 0.25 119.26 124.36 2jnb h ALA 58 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jnb h ALA 58 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jnb h ALA 58 CO 0.76 -0.15 -0.41 -3.47 0.00 0.00 0.00 179.25 175.97 2jnb n ASP 59 N -3.70 0.58 -4.67 0.00 -0.08 -1.26 -4.86 116.55 102.56 2jnb n ASP 59 Ca -0.01 0.16 -0.42 0.00 -1.51 0.00 0.00 54.79 53.01 2jnb n ASP 59 Cb 0.20 -0.06 -0.03 0.00 2.34 0.00 0.00 41.12 43.57 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jnb s ALA 60 N -3.10 3.63 0.29 -1.67 0.00 0.86 -5.00 121.76 116.78 2jnb s ALA 60 Ca 0.09 1.11 0.11 0.00 0.00 0.00 0.00 51.96 53.27 2jnb s ALA 60 Cb 0.15 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 2jnb s ALA 60 CO 0.67 -1.37 -0.14 -1.21 0.00 0.00 0.00 175.76 173.72 2jnb s GLU 61 N 3.80 1.83 1.15 0.00 2.02 -1.26 -4.40 118.70 121.83 2jnb s GLU 61 Ca 0.77 -1.75 -0.17 0.00 0.02 0.00 0.00 54.97 53.85 2jnb s GLU 61 Cb -0.37 -1.83 0.26 0.00 0.10 0.00 0.00 34.13 32.29 2jnb s GLU 61 CO 0.33 0.29 1.10 -1.25 0.02 0.00 0.00 175.26 175.75 2jnb s PRO 62 N -3.57 -0.76 0.03 0.39 0.04 -1.26 -5.04 135.00 124.83 2jnb s PRO 62 Ca 0.31 0.10 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 2jnb s PRO 62 Cb -0.04 -1.63 -0.32 0.00 0.04 0.00 0.00 34.50 32.55 2jnb s PRO 62 CO 0.16 -3.44 0.99 1.25 0.04 0.00 0.00 177.00 176.00 2jnb h LEU 63 N -2.39 0.65 -0.32 -3.56 5.85 -1.98 -3.34 115.31 110.22 2jnb h LEU 63 Ca -0.48 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 57.51 2jnb h LEU 63 Cb 1.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2jnb h LEU 63 CO 0.41 1.59 0.19 -0.08 -0.34 0.00 0.00 178.44 180.21 2jnb h GLU 64 N 0.11 0.37 -0.87 1.25 4.81 -1.98 -1.82 114.58 116.45 2jnb h GLU 64 Ca -0.23 -0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.21 2jnb h GLU 64 Cb 2.09 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 31.34 2jnb h GLU 64 CO 0.23 0.25 0.60 0.82 -0.73 0.00 0.00 179.01 180.18 2jnb h ILE 65 N 0.39 0.62 -0.09 2.32 1.08 -1.97 0.32 117.51 120.17 2jnb h ILE 65 Ca 0.13 -0.06 -0.17 0.00 -0.39 0.00 0.00 64.86 64.37 2jnb h ILE 65 Cb -0.00 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 2jnb h ILE 65 CO -0.06 0.03 -0.67 0.40 -0.69 0.00 0.00 178.15 177.16 2jnb h ILE 66 N 0.16 1.37 0.00 -0.67 1.08 -1.45 -2.98 117.51 115.02 2jnb h ILE 66 Ca 0.43 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 2jnb h ILE 66 Cb 1.44 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 37.22 2jnb h ILE 66 CO -0.08 0.62 -0.25 -0.11 -0.69 0.00 0.00 178.15 177.64 2jnb n LEU 67 N -3.86 0.29 -0.14 1.44 0.00 0.87 -3.75 117.00 111.85 2jnb n LEU 67 Ca -0.04 0.27 -0.12 0.00 0.00 0.00 0.00 56.01 56.13 2jnb n LEU 67 Cb 0.67 -0.37 -0.00 0.00 0.00 0.00 0.00 43.42 43.72 2jnb n LEU 67 CO 0.47 0.04 0.61 0.45 0.00 0.00 0.00 177.39 178.97 2jnb h HIS 68 N 0.00 1.12 0.18 1.96 3.86 -0.64 -3.27 115.15 118.37 2jnb h HIS 68 Ca 0.00 -0.30 0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2jnb h HIS 68 Cb 0.52 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 2jnb h HIS 68 CO 0.00 1.13 -0.53 -0.07 0.86 0.00 0.00 177.93 179.32 2jnb h LEU 69 N 0.81 -1.58 -9.37 2.43 3.38 -1.65 -3.40 115.31 105.93 2jnb h LEU 69 Ca 0.09 0.16 -0.54 0.00 0.09 0.00 0.00 57.88 57.67 2jnb h LEU 69 Cb 0.88 0.57 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 2jnb h LEU 69 CO 0.08 -0.58 0.87 -2.16 0.09 0.00 0.00 178.44 176.74 2jnb s PRO 70 N -5.79 4.26 -0.13 1.13 0.04 -1.23 -4.95 135.00 128.33 2jnb s PRO 70 Ca -0.17 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 2jnb s PRO 70 Cb 0.06 -3.61 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 2jnb s PRO 70 CO 0.61 -0.62 0.07 -0.07 0.04 0.00 0.00 177.00 177.03 2jnb h LEU 71 N 8.54 0.00 0.00 -3.56 3.38 -1.84 -3.47 115.31 118.35 2jnb h LEU 71 Ca -0.38 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2jnb h LEU 71 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2jnb h LEU 71 CO 0.91 0.78 0.00 0.18 0.09 0.00 0.00 178.44 180.40 2jnb n LEU 72 N -4.66 0.00 0.00 1.67 4.32 -1.26 -5.14 117.00 111.93 2jnb n LEU 72 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2jnb n LEU 72 Cb 0.24 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2jnb n LEU 72 CO 0.11 -0.26 0.00 0.00 -1.22 0.00 0.00 177.39 176.01 2jnb h GLU 74 N 0.00 0.20 -0.26 0.00 9.09 -1.89 0.24 114.58 121.96 2jnb h GLU 74 Ca 0.00 -0.01 0.07 0.00 0.05 0.00 0.00 59.36 59.46 2jnb h GLU 74 Cb 0.00 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.04 2jnb h GLU 74 CO 0.00 0.13 0.18 -0.44 0.05 0.00 0.00 179.01 178.94 2jnb h ASP 75 N 0.21 0.04 -0.39 3.06 3.32 -1.95 0.24 116.42 120.95 2jnb h ASP 75 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2jnb h ASP 75 Cb 1.27 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2jnb h ASP 75 CO -0.08 0.03 0.00 1.17 -1.72 0.00 0.00 179.24 178.63 2jnb n LYS 76 N -4.47 2.39 -2.45 3.56 0.00 0.83 -4.96 118.16 113.06 2jnb n LYS 76 Ca 0.03 -1.60 -0.02 0.00 0.00 0.00 0.00 58.31 56.72 2jnb n LYS 76 Cb 0.31 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.81 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 0.60 -6.51 -3.33 3.14 2.85 0.83 -4.96 115.26 107.87 2jnb n ASN 77 Ca 0.15 0.85 -0.14 0.00 -0.11 0.00 0.00 54.58 55.33 2jnb n ASN 77 Cb 0.50 -4.28 -0.06 0.00 1.24 0.00 0.00 39.78 37.18 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 -1.56 -0.44 0.58 3.44 1.01 -1.25 -5.00 120.40 117.18 2jnb s VAL 78 Ca 0.06 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2jnb s VAL 78 Cb -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2jnb s VAL 78 CO 0.59 -0.49 1.12 -2.16 0.00 0.00 0.00 175.10 174.16 2jnb s PRO 79 N 1.47 3.16 0.05 2.72 0.04 -1.26 -4.64 135.00 136.54 2jnb s PRO 79 Ca 0.17 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 2jnb s PRO 79 Cb -0.13 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.52 2jnb s PRO 79 CO -0.03 -0.99 1.15 1.52 0.04 0.00 0.00 177.00 178.69 2jnb s TYR 80 N -1.97 -0.08 -0.30 0.56 -0.85 -1.24 -4.30 117.35 109.18 2jnb s TYR 80 Ca 0.71 -0.10 -0.21 0.00 -0.52 0.00 0.00 57.07 56.95 2jnb s TYR 80 Cb -0.23 0.58 0.19 0.00 0.38 0.00 0.00 41.96 42.88 2jnb s TYR 80 CO 0.32 -0.49 1.29 0.54 -1.52 0.00 0.00 175.55 175.69 2jnb s VAL 81 N -2.77 0.00 -0.23 -3.49 0.11 -1.25 -4.92 120.40 107.85 2jnb s VAL 81 Ca 0.13 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.06 2jnb s VAL 81 Cb 0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 2jnb s VAL 81 CO -0.02 0.00 0.22 -0.36 -3.33 0.00 0.00 175.10 171.62 2jnb s PHE 82 N 0.57 3.33 -0.07 1.54 0.40 -1.13 -1.79 117.98 120.82 2jnb s PHE 82 Ca -0.01 0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.70 2jnb s PHE 82 Cb -0.04 -2.34 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 2jnb s PHE 82 CO -0.12 0.04 -0.23 0.14 0.70 0.00 0.00 175.22 175.74 2jnb s VAL 83 N 1.15 2.23 -0.69 -0.44 -7.23 -1.25 -3.98 120.40 110.18 2jnb s VAL 83 Ca 0.11 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.22 2jnb s VAL 83 Cb -0.14 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 2jnb s VAL 83 CO 0.06 0.57 2.99 0.54 -0.31 0.00 0.00 175.10 178.94 2jnb n ARG 84 N 3.00 2.95 -3.39 4.82 5.12 -1.26 -3.76 116.66 124.14 2jnb n ARG 84 Ca -0.18 -2.14 0.02 0.00 -1.93 0.00 0.00 57.85 53.63 2jnb n ARG 84 Cb 0.52 -2.31 -0.03 0.00 -1.16 0.00 0.00 32.46 29.48 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2jnb s SER 85 N 1.18 -1.01 -0.13 0.55 0.01 -1.26 -5.08 113.70 107.97 2jnb s SER 85 Ca 0.62 1.05 -0.10 0.00 1.31 0.00 0.00 55.95 58.83 2jnb s SER 85 Cb 0.29 2.01 -0.03 0.00 0.21 0.00 0.00 66.02 68.50 2jnb s SER 85 CO -0.10 -0.19 -0.20 0.29 0.41 0.00 0.00 173.24 173.45 2jnb n LYS 86 N 5.34 0.39 -0.18 12.44 5.02 -1.26 -3.83 118.16 136.08 2jnb n LYS 86 Ca -0.08 0.33 0.23 0.00 -2.02 0.00 0.00 58.31 56.78 2jnb n LYS 86 Cb 0.51 -1.38 0.62 0.00 -0.02 0.00 0.00 35.03 34.76 2jnb n LYS 86 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2jnb h GLN 87 N -0.79 0.18 -0.23 1.97 3.07 -1.96 0.02 115.11 117.38 2jnb h GLN 87 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 2jnb h GLN 87 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 2jnb h GLN 87 CO 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 178.83 179.02 2jnb h ALA 88 N 1.61 0.31 -0.49 0.06 0.00 -1.99 0.21 119.26 118.97 2jnb h ALA 88 Ca 0.41 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2jnb h ALA 88 Cb 1.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2jnb h ALA 88 CO -0.08 0.06 -0.02 1.25 0.00 0.00 0.00 179.25 180.46 2jnb h LEU 89 N 0.17 0.87 -0.18 0.00 5.85 -1.16 -2.77 115.31 118.09 2jnb h LEU 89 Ca 0.06 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 2jnb h LEU 89 Cb 0.45 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2jnb h LEU 89 CO 0.02 0.97 -0.23 1.23 -0.34 0.00 0.00 178.44 180.09 2jnb h GLY 90 N 0.74 0.51 0.23 3.75 0.00 -1.13 -2.41 103.07 104.75 2jnb h GLY 90 Ca 0.14 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 46.95 2jnb h GLY 90 CO 0.03 0.50 -0.36 3.21 0.00 0.00 0.00 176.54 179.92 2jnb h ARG 91 N 0.12 -0.49 -0.73 4.80 2.47 -0.57 -0.81 114.38 119.17 2jnb h ARG 91 Ca 0.02 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2jnb h ARG 91 Cb 0.79 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.19 2jnb h ARG 91 CO 0.05 -0.33 0.48 0.00 0.56 0.00 0.00 179.97 180.74 2jnb h ALA 92 N 0.15 1.48 0.00 0.04 0.00 -1.56 -1.12 119.26 118.25 2jnb h ALA 92 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jnb h ALA 92 Cb 0.60 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jnb h ALA 92 CO -0.30 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.35 2jnb n GLY 94 N -0.97 0.69 3.61 0.00 0.00 -0.41 -4.99 105.19 103.12 2jnb n GLY 94 Ca -0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.33 0.00 0.26 1.61 0.11 -0.96 -5.03 120.40 115.06 2jnb s VAL 95 Ca 0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2jnb s VAL 95 Cb 0.00 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 2jnb s VAL 95 CO 0.00 0.00 1.72 -1.28 -3.33 0.00 0.00 175.10 172.21 2jnb h SER 96 N 4.55 0.63 -3.22 3.54 0.87 -1.93 -3.27 113.55 114.72 2jnb h SER 96 Ca -0.28 -0.19 -0.48 0.00 -1.23 0.00 0.00 61.79 59.60 2jnb h SER 96 Cb 1.16 -0.17 0.03 0.00 -0.44 0.00 0.00 62.40 62.97 2jnb h SER 96 CO 0.11 0.80 -0.01 -0.13 -0.53 0.00 0.00 176.83 177.07 2jnb s ARG 97 N -4.69 3.46 1.16 2.24 3.00 -1.26 -4.88 118.95 117.98 2jnb s ARG 97 Ca -0.08 -0.06 -0.18 0.00 0.00 0.00 0.00 55.73 55.41 2jnb s ARG 97 Cb 0.14 -2.49 0.27 0.00 0.00 0.00 0.00 34.95 32.86 2jnb s ARG 97 CO 0.80 -0.10 1.10 -1.25 0.00 0.00 0.00 175.30 175.86 2jnb s PRO 98 N -4.58 -0.87 0.00 3.54 0.04 -1.26 -4.62 135.00 127.25 2jnb s PRO 98 Ca 0.45 0.07 0.02 0.00 0.04 0.00 0.00 61.00 61.57 2jnb s PRO 98 Cb -0.10 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2jnb s PRO 98 CO 0.41 -3.50 -0.06 0.54 0.04 0.00 0.00 177.00 174.43 2jnb s VAL 99 N -2.99 0.42 -0.03 -0.36 0.11 -1.26 -4.89 120.40 111.41 2jnb s VAL 99 Ca 0.70 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 59.32 2jnb s VAL 99 Cb -0.12 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2jnb s VAL 99 CO 0.56 0.03 0.39 0.40 -3.33 0.00 0.00 175.10 173.15 2jnb h ILE 100 N 4.93 0.00 -3.96 7.04 2.04 -1.96 -3.43 117.51 122.17 2jnb h ILE 100 Ca -0.29 -0.34 -0.28 0.00 1.00 0.00 0.00 64.86 64.95 2jnb h ILE 100 Cb 1.19 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 37.06 2jnb h ILE 100 CO 0.49 0.00 -0.74 0.00 0.00 0.00 0.00 178.15 177.90 2jnb s ALA 101 N -3.30 0.57 0.04 1.87 0.00 -1.26 -2.97 121.76 116.71 2jnb s ALA 101 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.24 2jnb s ALA 101 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 2jnb s ALA 101 CO 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 175.76 175.72 2jnb s SER 103 N -1.30 5.29 -0.21 0.00 0.01 0.05 -2.65 113.70 114.89 2jnb s SER 103 Ca -0.02 -1.22 -0.29 0.00 1.31 0.00 0.00 55.95 55.73 2jnb s SER 103 Cb -0.08 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.29 2jnb s SER 103 CO 0.01 -0.35 1.02 -0.69 0.41 0.00 0.00 173.24 173.65 2jnb s VAL 104 N 1.38 4.71 0.01 3.43 1.01 -1.09 -3.70 120.40 126.14 2jnb s VAL 104 Ca -0.01 2.00 0.04 0.00 0.00 0.00 0.00 61.98 64.01 2jnb s VAL 104 Cb -0.20 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 2jnb s VAL 104 CO 0.02 -0.14 -0.08 0.42 0.00 0.00 0.00 175.10 175.32 2jnb s THR 105 N 2.97 3.53 0.02 3.92 -4.23 -1.26 -2.75 115.64 117.84 2jnb s THR 105 Ca 0.44 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 2jnb s THR 105 Cb -0.16 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 2jnb s THR 105 CO 0.08 0.40 0.09 -0.51 -0.54 0.00 0.00 174.62 174.14 2jnb s ILE 106 N -0.98 4.77 -0.07 2.99 2.07 -1.26 -4.99 121.20 123.73 2jnb s ILE 106 Ca 0.17 -0.46 -0.13 0.00 -1.41 0.00 0.00 60.65 58.82 2jnb s ILE 106 Cb -0.11 -3.22 -0.05 0.00 0.13 0.00 0.00 42.46 39.21 2jnb s ILE 106 CO 0.07 0.29 0.31 -0.75 -1.91 0.00 0.00 174.94 172.95 2jnb s LYS 107 N -1.92 3.88 0.04 3.50 2.47 -1.26 -5.06 119.74 121.40 2jnb s LYS 107 Ca 0.25 0.19 -0.30 0.00 -1.56 0.00 0.00 55.97 54.55 2jnb s LYS 107 Cb -0.12 -3.27 -0.06 0.00 -1.46 0.00 0.00 37.83 32.92 2jnb s LYS 107 CO 0.17 0.59 1.28 -2.00 0.16 0.00 0.00 175.35 175.54 2jnb s GLU 108 N -0.64 4.37 -0.61 4.03 -6.30 -1.26 -3.16 118.70 115.12 2jnb s GLU 108 Ca 0.20 1.85 -0.03 0.00 -2.50 0.00 0.00 54.97 54.49 2jnb s GLU 108 Cb -0.14 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.57 2jnb s GLU 108 CO 0.08 -0.39 0.34 0.41 0.02 0.00 0.00 175.26 175.72 2jnb n GLY 109 N 3.38 0.24 3.45 -1.50 0.00 -1.26 -5.04 105.19 104.46 2jnb n GLY 109 Ca 0.11 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2jnb n GLY 109 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jnb s SER 110 N -2.97 3.69 0.43 1.61 1.04 -1.19 -5.02 113.70 111.30 2jnb s SER 110 Ca 0.17 -0.56 0.21 0.00 0.48 0.00 0.00 55.95 56.25 2jnb s SER 110 Cb -0.07 -0.48 0.98 0.00 0.10 0.00 0.00 66.02 66.54 2jnb s SER 110 CO 0.21 0.21 1.87 0.06 0.98 0.00 0.00 173.24 176.57 2jnb h GLN 111 N 4.07 0.00 -0.11 4.02 3.07 -1.96 -2.70 115.11 121.50 2jnb h GLN 111 Ca -0.49 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.28 2jnb h GLN 111 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.72 2jnb h GLN 111 CO 0.45 0.26 0.16 -0.07 0.09 0.00 0.00 178.83 179.72 2jnb h LEU 112 N 0.00 0.00 -1.28 0.06 3.38 -1.95 -1.59 115.31 113.93 2jnb h LEU 112 Ca -0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.16 2jnb h LEU 112 Cb 0.65 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 2jnb h LEU 112 CO 0.03 0.00 0.61 0.50 0.09 0.00 0.00 178.44 179.67 2jnb h LYS 113 N 0.00 0.57 -0.29 1.13 3.11 -1.79 0.33 116.57 119.62 2jnb h LYS 113 Ca 0.05 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.81 2jnb h LYS 113 Cb 0.38 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 2jnb h LYS 113 CO -0.00 0.38 -0.04 -0.56 -2.81 0.00 0.00 179.45 176.42 2jnb h GLN 114 N 0.58 0.46 0.00 1.90 3.07 -1.52 -1.52 115.11 118.08 2jnb h GLN 114 Ca 0.52 -0.10 -0.03 0.00 0.09 0.00 0.00 58.65 59.13 2jnb h GLN 114 Cb 1.04 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.53 2jnb h GLN 114 CO -0.27 0.52 -0.22 1.96 0.09 0.00 0.00 178.83 180.91 2jnb h GLN 115 N 0.44 0.00 -0.86 0.06 1.08 -0.68 -3.26 115.11 111.89 2jnb h GLN 115 Ca 0.09 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.51 2jnb h GLN 115 Cb 0.35 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 2jnb h GLN 115 CO 0.01 0.61 0.59 0.82 -0.95 0.00 0.00 178.83 179.92 2jnb h ILE 116 N -1.00 0.63 -0.24 2.54 2.04 -0.62 -0.26 117.51 120.61 2jnb h ILE 116 Ca -0.05 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2jnb h ILE 116 Cb 0.70 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2jnb h ILE 116 CO -0.03 0.04 0.02 1.56 0.00 0.00 0.00 178.15 179.74 2jnb h GLN 117 N 0.21 0.40 -0.25 2.37 1.08 -1.39 -0.83 115.11 116.70 2jnb h GLN 117 Ca 0.43 -0.12 0.06 0.00 -1.45 0.00 0.00 58.65 57.57 2jnb h GLN 117 Cb 1.36 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.69 2jnb h GLN 117 CO -0.09 0.55 -0.15 1.03 -0.95 0.00 0.00 178.83 179.22 2jnb h SER 118 N 0.20 -0.50 -0.63 1.46 0.87 -1.08 -0.99 113.55 112.88 2jnb h SER 118 Ca 0.07 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 2jnb h SER 118 Cb 0.36 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2jnb h SER 118 CO 0.01 -0.19 0.12 0.40 -0.53 0.00 0.00 176.83 176.64 2jnb h ILE 119 N -0.13 1.26 -0.78 2.23 2.04 -1.48 -2.02 117.51 118.63 2jnb h ILE 119 Ca 0.14 -0.98 0.10 0.00 1.00 0.00 0.00 64.86 65.12 2jnb h ILE 119 Cb 0.34 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2jnb h ILE 119 CO -0.33 0.36 0.42 -0.61 0.00 0.00 0.00 178.15 177.99 2jnb h GLN 120 N 0.94 0.67 -0.17 2.37 4.15 -0.38 -1.24 115.11 121.45 2jnb h GLN 120 Ca 0.19 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.41 2jnb h GLN 120 Cb 0.40 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2jnb h GLN 120 CO 0.01 0.45 -0.57 1.96 -1.93 0.00 0.00 178.83 178.74 2jnb h GLN 121 N 0.69 0.52 -0.08 1.69 4.20 -1.00 -2.47 115.11 118.67 2jnb h GLN 121 Ca 0.38 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2jnb h GLN 121 Cb 0.39 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 2jnb h GLN 121 CO -0.27 0.95 -0.16 0.77 -0.67 0.00 0.00 178.83 179.45 2jnb h SER 122 N 0.40 -0.49 -0.28 1.46 0.02 -0.50 -0.21 113.55 113.95 2jnb h SER 122 Ca 0.00 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2jnb h SER 122 Cb 1.12 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 2jnb h SER 122 CO 0.11 -0.21 -0.22 0.40 -1.14 0.00 0.00 176.83 175.76 2jnb h ILE 123 N -0.23 1.27 -0.64 3.27 2.04 -1.45 -3.05 117.51 118.72 2jnb h ILE 123 Ca 0.08 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.64 2jnb h ILE 123 Cb 0.34 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2jnb h ILE 123 CO -0.21 0.44 0.39 -0.08 0.00 0.00 0.00 178.15 178.69 2jnb h GLU 124 N 0.66 0.73 -0.63 2.37 4.81 -0.92 0.27 114.58 121.86 2jnb h GLU 124 Ca 0.09 -0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.46 2jnb h GLU 124 Cb 0.73 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2jnb h GLU 124 CO 0.06 0.48 0.45 0.00 -0.73 0.00 0.00 179.01 179.28 2jnb h ARG 125 N 0.76 0.01 0.00 1.92 2.47 -0.94 -0.19 114.38 118.41 2jnb h ARG 125 Ca 0.26 -0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.72 2jnb h ARG 125 Cb 0.05 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.32 2jnb h ARG 125 CO -0.12 0.01 -1.86 1.28 0.56 0.00 0.00 179.97 179.84 2jnb n LEU 126 N -4.35 0.54 0.17 3.04 4.77 -0.49 -4.48 117.00 116.19 2jnb n LEU 126 Ca 0.12 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 2jnb n LEU 126 Cb 0.70 0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.97 2jnb n LEU 126 CO 0.37 0.33 0.51 -0.07 -1.33 0.00 0.00 177.39 177.21 2jnb h LEU 127 N 0.00 -0.76 0.00 2.23 3.38 0.14 -3.47 115.31 116.83 2jnb h LEU 127 Ca -0.32 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jnb h LEU 127 Cb 1.90 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.90 2jnb h LEU 127 CO 0.05 -0.37 0.00 0.52 0.09 0.00 0.00 178.44 178.73