#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 0.00 -2.63 1.12 -2.24 -1.26 -4.65 114.28 104.62 2jnb n THR 2 Ca 0.00 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 2jnb n THR 2 Cb 0.00 1.16 0.04 0.00 -2.10 0.00 0.00 70.33 69.42 2jnb n THR 2 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jnb n GLU 3 N -0.59 0.53 -4.23 -0.78 0.28 -1.26 -5.16 120.64 109.43 2jnb n GLU 3 Ca 0.07 -0.85 -0.23 0.00 -0.16 0.00 0.00 57.16 55.99 2jnb n GLU 3 Cb 0.41 0.06 -0.07 0.00 1.43 0.00 0.00 31.44 33.26 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 0.07 3.28 -0.84 -1.84 0.00 -1.26 -5.06 121.76 116.12 2jnb s ALA 4 Ca 0.07 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.37 2jnb s ALA 4 Cb 0.18 -0.80 0.33 0.00 0.00 0.00 0.00 23.12 22.82 2jnb s ALA 4 CO -0.04 0.21 1.49 -0.25 0.00 0.00 0.00 175.76 177.16 2jnb n ASP 5 N -0.98 6.22 -3.72 0.00 8.00 -1.26 -4.96 116.55 119.85 2jnb n ASP 5 Ca -0.06 -3.70 -0.12 0.00 0.71 0.00 0.00 54.79 51.63 2jnb n ASP 5 Cb 0.59 -0.92 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 2jnb n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jnb s VAL 6 N -4.45 -0.05 0.95 2.53 -7.23 -1.26 -5.15 120.40 105.75 2jnb s VAL 6 Ca 0.43 0.14 -0.12 0.00 -1.81 0.00 0.00 61.98 60.62 2jnb s VAL 6 Cb 0.24 -0.42 0.07 0.00 0.56 0.00 0.00 36.38 36.82 2jnb s VAL 6 CO -0.14 0.06 0.57 0.59 -0.31 0.00 0.00 175.10 175.86 2jnb n ASN 7 N 4.26 -1.55 -4.57 4.85 3.02 -1.26 -4.83 115.26 115.18 2jnb n ASN 7 Ca -0.25 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 2jnb n ASN 7 Cb 0.53 -1.26 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 2jnb n ASN 7 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jnb s PRO 8 N -3.87 2.90 0.08 3.52 0.04 -1.26 -4.90 135.00 131.51 2jnb s PRO 8 Ca 0.59 0.87 -0.35 0.00 0.04 0.00 0.00 61.00 62.15 2jnb s PRO 8 Cb -0.21 -4.31 -0.17 0.00 0.04 0.00 0.00 34.50 29.85 2jnb s PRO 8 CO 0.65 -2.40 1.54 -0.22 0.04 0.00 0.00 177.00 176.61 2jnb h LYS 9 N 14.06 -1.01 -0.45 4.56 3.64 -2.03 -3.35 116.57 131.99 2jnb h LYS 9 Ca -0.28 0.07 -0.31 0.00 -1.27 0.00 0.00 60.65 58.86 2jnb h LYS 9 Cb 1.16 0.23 -0.39 0.00 -0.41 0.00 0.00 32.23 32.83 2jnb h LYS 9 CO 1.15 -0.68 -0.99 0.00 -2.27 0.00 0.00 179.45 176.67 2jnb n ALA 10 N -2.77 3.30 -2.62 5.00 0.00 -1.26 -5.08 120.51 117.08 2jnb n ALA 10 Ca -0.13 -3.03 -0.23 0.00 0.00 0.00 0.00 53.44 50.05 2jnb n ALA 10 Cb 0.46 -0.68 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 -3.30 2.64 0.63 0.00 1.51 -1.26 -4.08 117.35 113.48 2jnb s TYR 11 Ca 0.35 -0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 56.01 2jnb s TYR 11 Cb 0.36 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 2jnb s TYR 11 CO -0.03 0.64 1.12 -1.25 -1.11 0.00 0.00 175.55 174.91 2jnb s PRO 12 N -3.65 2.94 -0.04 -1.71 0.04 -1.26 -4.89 135.00 126.42 2jnb s PRO 12 Ca 0.31 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2jnb s PRO 12 Cb -0.06 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2jnb s PRO 12 CO 0.19 -1.15 -0.07 -1.17 0.04 0.00 0.00 177.00 174.84 2jnb s LEU 13 N -4.61 3.18 -0.20 -3.56 2.96 -1.26 -3.62 118.68 111.57 2jnb s LEU 13 Ca 0.68 -0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 54.32 2jnb s LEU 13 Cb -0.21 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2jnb s LEU 13 CO 0.38 0.34 0.66 0.00 -1.32 0.00 0.00 176.35 176.40 2jnb s ALA 14 N -0.88 3.55 1.17 5.97 0.00 -1.25 -5.05 121.76 125.28 2jnb s ALA 14 Ca 0.14 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 2jnb s ALA 14 Cb -0.11 -3.02 0.25 0.00 0.00 0.00 0.00 23.12 20.24 2jnb s ALA 14 CO 0.04 -0.61 0.77 -0.40 0.00 0.00 0.00 175.76 175.55 2jnb n ASP 15 N 5.20 -1.94 0.24 0.00 5.75 -1.26 -4.70 116.55 119.83 2jnb n ASP 15 Ca -0.00 -0.17 0.10 0.00 -0.01 0.00 0.00 54.79 54.71 2jnb n ASP 15 Cb 0.49 -1.18 0.60 0.00 -1.03 0.00 0.00 41.12 40.00 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 -2.57 1.30 0.00 2.12 0.00 -2.00 -2.20 119.26 115.91 2jnb h ALA 16 Ca -0.60 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 53.99 2jnb h ALA 16 Cb 1.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2jnb h ALA 16 CO 0.47 0.24 -0.71 0.45 0.00 0.00 0.00 179.25 179.70 2jnb h HIS 17 N 0.00 0.00 0.07 0.00 -0.00 -2.02 -3.23 115.15 109.97 2jnb h HIS 17 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.08 2jnb h HIS 17 Cb 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 27.89 2jnb h HIS 17 CO 0.00 0.71 -1.17 1.25 -0.00 0.00 0.00 177.93 178.72 2jnb h LEU 18 N 0.00 0.90 -1.37 2.43 6.46 -1.74 -3.26 115.31 118.73 2jnb h LEU 18 Ca -0.01 -0.79 0.06 0.00 -0.12 0.00 0.00 57.88 57.03 2jnb h LEU 18 Cb 1.43 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 41.03 2jnb h LEU 18 CO 0.09 1.59 0.48 0.71 -0.62 0.00 0.00 178.44 180.69 2jnb h THR 19 N 0.33 1.03 -0.92 1.05 1.35 -1.49 -1.74 112.91 112.51 2jnb h THR 19 Ca -0.17 -0.26 0.16 0.00 -0.55 0.00 0.00 66.41 65.59 2jnb h THR 19 Cb 1.83 0.19 -0.10 0.00 -1.73 0.00 0.00 68.15 68.35 2jnb h THR 19 CO 0.23 0.14 0.52 0.11 -0.25 0.00 0.00 175.52 176.26 2jnb h LYS 20 N 0.77 0.68 -0.03 4.72 1.57 -1.60 0.67 116.57 123.35 2jnb h LYS 20 Ca 0.31 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.89 2jnb h LYS 20 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jnb h LYS 20 CO -0.10 0.45 -0.71 0.87 -0.57 0.00 0.00 179.45 179.38 2jnb h LYS 21 N 0.70 0.19 -0.98 3.15 6.56 -1.47 -3.17 116.57 121.55 2jnb h LYS 21 Ca 0.51 -0.16 0.13 0.00 -1.06 0.00 0.00 60.65 60.07 2jnb h LYS 21 Cb 0.74 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.36 2jnb h LYS 21 CO -0.37 0.83 0.62 1.25 -2.06 0.00 0.00 179.45 179.72 2jnb h LEU 22 N 0.13 0.86 -0.94 2.94 5.85 -0.59 -0.77 115.31 122.79 2jnb h LEU 22 Ca -0.02 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.86 2jnb h LEU 22 Cb 1.27 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 2jnb h LEU 22 CO 0.11 0.45 0.57 -0.07 -0.34 0.00 0.00 178.44 179.16 2jnb h LEU 23 N 0.92 0.82 -1.83 2.25 3.38 -1.46 0.15 115.31 119.55 2jnb h LEU 23 Ca 0.49 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 2jnb h LEU 23 Cb 0.55 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2jnb h LEU 23 CO -0.25 0.43 -0.14 -0.78 0.09 0.00 0.00 178.44 177.79 2jnb h ASP 24 N 0.90 0.00 0.25 -0.43 3.58 -1.29 -0.59 116.42 118.84 2jnb h ASP 24 Ca 0.47 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.91 2jnb h ASP 24 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2jnb h ASP 24 CO -0.27 0.14 -0.12 0.25 -2.88 0.00 0.00 179.24 176.36 2jnb h LEU 25 N 0.00 -0.28 -1.62 2.28 7.12 -0.63 -1.08 115.31 121.10 2jnb h LEU 25 Ca -0.00 -0.16 0.00 0.00 0.13 0.00 0.00 57.88 57.85 2jnb h LEU 25 Cb 0.30 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.49 2jnb h LEU 25 CO 0.02 0.22 0.22 1.62 -0.13 0.00 0.00 178.44 180.39 2jnb h VAL 26 N -1.01 1.10 -0.03 1.05 3.04 -1.32 -0.15 116.25 118.93 2jnb h VAL 26 Ca -0.03 -0.21 -0.19 0.00 -1.01 0.00 0.00 66.70 65.26 2jnb h VAL 26 Cb 0.42 0.59 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 2jnb h VAL 26 CO 0.06 0.10 -0.81 -0.61 -1.01 0.00 0.00 177.57 175.30 2jnb h GLN 27 N 0.49 0.27 -0.01 4.17 4.15 -1.18 -2.73 115.11 120.28 2jnb h GLN 27 Ca 0.13 -0.26 -0.17 0.00 0.77 0.00 0.00 58.65 59.12 2jnb h GLN 27 Cb -0.03 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2jnb h GLN 27 CO -0.03 0.94 -0.78 1.96 -1.93 0.00 0.00 178.83 179.00 2jnb h GLN 28 N 0.17 0.11 0.10 1.69 1.08 -0.33 -2.58 115.11 115.35 2jnb h GLN 28 Ca -0.04 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2jnb h GLN 28 Cb 1.40 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 2jnb h GLN 28 CO 0.13 0.83 -0.05 1.03 -0.95 0.00 0.00 178.83 179.82 2jnb h SER 29 N 0.07 -0.11 0.21 1.46 0.87 -1.04 -3.05 113.55 111.97 2jnb h SER 29 Ca -0.02 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 2jnb h SER 29 Cb 1.36 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2jnb h SER 29 CO 0.11 0.39 -0.12 0.00 -0.53 0.00 0.00 176.83 176.68 2jnb h ASN 31 N 0.00 0.00 -0.55 0.00 2.35 -1.40 -2.47 115.58 113.51 2jnb h ASN 31 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2jnb h ASN 31 Cb 0.26 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.55 2jnb h ASN 31 CO 0.02 0.19 0.16 -1.22 -1.65 0.00 0.00 177.43 174.93 2jnb n TYR 32 N -3.47 1.86 -2.92 1.19 4.01 -0.53 -4.88 117.16 112.43 2jnb n TYR 32 Ca -0.01 -0.88 -0.22 0.00 -0.16 0.00 0.00 57.90 56.64 2jnb n TYR 32 Cb 0.36 -0.54 0.02 0.00 -0.31 0.00 0.00 39.34 38.87 2jnb n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2jnb n LYS 33 N 0.08 -3.98 -3.84 -0.72 4.81 -0.93 -4.98 118.16 108.61 2jnb n LYS 33 Ca 0.29 0.86 -0.14 0.00 -0.87 0.00 0.00 58.31 58.45 2jnb n LYS 33 Cb 1.12 -5.66 -0.15 0.00 0.02 0.00 0.00 35.03 30.37 2jnb n LYS 33 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2jnb s GLN 34 N -5.58 0.03 0.12 1.64 -2.07 -1.03 -5.04 119.66 107.72 2jnb s GLN 34 Ca 0.24 0.09 -0.26 0.00 -1.82 0.00 0.00 55.36 53.61 2jnb s GLN 34 Cb -0.11 -0.18 0.08 0.00 -1.09 0.00 0.00 33.01 31.71 2jnb s GLN 34 CO 0.30 -0.09 1.06 -0.48 -1.32 0.00 0.00 175.29 174.76 2jnb s LEU 35 N 0.59 -0.11 -0.30 2.60 0.05 -1.26 -2.30 118.68 117.95 2jnb s LEU 35 Ca -0.05 -0.40 -0.02 0.00 0.05 0.00 0.00 54.13 53.71 2jnb s LEU 35 Cb -0.07 1.96 0.19 0.00 -2.05 0.00 0.00 46.19 46.21 2jnb s LEU 35 CO -0.02 -0.78 0.63 -0.60 -0.55 0.00 0.00 176.35 175.04 2jnb s ARG 36 N -2.84 0.54 -0.75 1.48 6.06 -1.18 -4.98 118.95 117.27 2jnb s ARG 36 Ca 0.15 0.96 0.02 0.00 -2.50 0.00 0.00 55.73 54.35 2jnb s ARG 36 Cb -0.00 0.53 0.18 0.00 0.06 0.00 0.00 34.95 35.72 2jnb s ARG 36 CO 0.02 -0.60 0.57 0.15 -2.50 0.00 0.00 175.30 172.94 2jnb s LYS 37 N 2.87 2.74 -0.24 5.12 3.01 -1.26 -0.13 119.74 131.84 2jnb s LYS 37 Ca 0.19 -3.17 -0.28 0.00 -1.01 0.00 0.00 55.97 51.70 2jnb s LYS 37 Cb -0.15 -3.65 0.15 0.00 -1.01 0.00 0.00 37.83 33.18 2jnb s LYS 37 CO -0.20 -1.25 1.18 0.20 0.51 0.00 0.00 175.35 175.79 2jnb s GLY 38 N -0.63 -0.03 0.10 -3.33 0.00 0.78 -4.95 107.32 99.25 2jnb s GLY 38 Ca 0.24 2.67 -0.04 0.00 0.00 0.00 0.00 44.72 47.59 2jnb s GLY 38 CO -0.12 1.40 1.20 0.00 0.00 0.00 0.00 173.10 175.59 2jnb h ALA 39 N 2.90 0.20 0.05 3.20 0.00 -1.93 -2.94 119.26 120.74 2jnb h ALA 39 Ca -0.20 -0.83 -0.31 0.00 0.00 0.00 0.00 54.91 53.57 2jnb h ALA 39 Cb 1.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2jnb h ALA 39 CO 0.22 0.93 -1.76 -0.97 0.00 0.00 0.00 179.25 177.67 2jnb h ASN 40 N 0.11 0.15 0.45 0.00 -0.73 -1.92 -3.35 115.58 110.30 2jnb h ASN 40 Ca -0.11 -0.31 -0.06 0.00 1.87 0.00 0.00 56.30 57.68 2jnb h ASN 40 Cb 1.83 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 40.37 2jnb h ASN 40 CO 0.19 1.28 -0.29 -0.33 -0.37 0.00 0.00 177.43 177.90 2jnb h GLU 41 N 0.03 0.00 0.00 6.67 5.08 -1.95 -2.46 114.58 121.95 2jnb h GLU 41 Ca -0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2jnb h GLU 41 Cb 2.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 2jnb h GLU 41 CO 0.09 0.29 -0.03 0.00 -1.00 0.00 0.00 179.01 178.36 2jnb h ALA 42 N 1.71 1.40 0.00 3.43 0.00 -1.64 -0.96 119.26 123.20 2jnb h ALA 42 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2jnb h ALA 42 Cb 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jnb h ALA 42 CO 0.04 0.04 -0.24 1.79 0.00 0.00 0.00 179.25 180.88 2jnb h THR 43 N 0.00 0.66 -0.01 0.00 1.35 -1.63 -3.13 112.91 110.15 2jnb h THR 43 Ca -0.00 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 64.77 2jnb h THR 43 Cb 0.10 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2jnb h THR 43 CO 0.00 0.24 -0.00 0.11 -0.25 0.00 0.00 175.52 175.62 2jnb h LYS 44 N 0.00 0.02 0.43 4.72 1.57 -1.31 -0.95 116.57 121.04 2jnb h LYS 44 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2jnb h LYS 44 Cb 0.69 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2jnb h LYS 44 CO 0.03 0.40 -0.48 1.79 -0.57 0.00 0.00 179.45 180.62 2jnb h THR 45 N -0.36 0.06 -0.13 -0.16 1.35 -1.62 -1.52 112.91 110.53 2jnb h THR 45 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.89 2jnb h THR 45 Cb 0.39 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.86 2jnb h THR 45 CO 0.00 0.00 0.09 0.25 -0.25 0.00 0.00 175.52 175.61 2jnb h LEU 46 N -0.93 0.06 -1.24 3.87 6.46 -1.63 -0.81 115.31 121.09 2jnb h LEU 46 Ca -0.05 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.66 2jnb h LEU 46 Cb 0.83 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 2jnb h LEU 46 CO -0.09 0.04 -0.05 0.78 -0.62 0.00 0.00 178.44 178.49 2jnb h ASN 47 N 0.07 0.43 1.13 1.25 4.21 -0.30 -2.53 115.58 119.84 2jnb h ASN 47 Ca 0.06 -0.09 -0.12 0.00 1.21 0.00 0.00 56.30 57.36 2jnb h ASN 47 Cb 0.14 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 2jnb h ASN 47 CO -0.01 0.54 -0.92 -0.09 -1.29 0.00 0.00 177.43 175.66 2jnb h ARG 48 N 0.43 0.00 -0.25 0.81 2.43 -0.24 -3.48 114.38 114.09 2jnb h ARG 48 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2jnb h ARG 48 Cb 0.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2jnb h ARG 48 CO 0.02 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.22 2jnb n GLY 49 N 1.29 0.79 0.48 2.80 0.00 -0.57 -5.02 105.19 104.95 2jnb n GLY 49 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.33 0.00 -2.95 -0.61 -6.64 -1.05 -5.03 119.36 102.74 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 0.09 0.39 -0.03 0.00 -1.44 0.00 0.00 39.64 38.65 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 -0.71 6.41 0.19 7.28 0.15 -1.25 -3.31 113.70 122.46 2jnb s SER 51 Ca 0.00 -1.64 -0.12 0.00 0.70 0.00 0.00 55.95 54.89 2jnb s SER 51 Cb 0.00 -2.38 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 2jnb s SER 51 CO 0.00 -1.17 1.73 -0.33 1.20 0.00 0.00 173.24 174.67 2jnb h GLU 52 N 9.08 0.28 -1.43 5.44 4.39 -0.91 -3.46 114.58 127.96 2jnb h GLU 52 Ca -0.06 -0.02 0.21 0.00 0.34 0.00 0.00 59.36 59.83 2jnb h GLU 52 Cb 1.05 -0.06 -0.22 0.00 -0.10 0.00 0.00 28.75 29.42 2jnb h GLU 52 CO 1.11 0.19 0.78 -0.59 -1.16 0.00 0.00 179.01 179.34 2jnb s PHE 53 N -6.13 -0.17 -0.08 4.33 -0.71 -1.23 -4.90 117.98 109.08 2jnb s PHE 53 Ca -0.13 0.20 0.02 0.00 -1.04 0.00 0.00 56.93 55.97 2jnb s PHE 53 Cb 0.15 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.47 2jnb s PHE 53 CO 0.73 -0.21 -0.14 0.42 -1.34 0.00 0.00 175.22 174.69 2jnb s ILE 54 N -1.84 1.30 0.00 -4.49 1.09 -1.21 -1.55 121.20 114.50 2jnb s ILE 54 Ca 0.07 -0.55 0.04 0.00 -1.10 0.00 0.00 60.65 59.10 2jnb s ILE 54 Cb -0.01 -1.19 -0.03 0.00 -1.06 0.00 0.00 42.46 40.17 2jnb s ILE 54 CO -0.04 0.40 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.42 2jnb s VAL 55 N 0.83 3.56 -0.00 2.92 1.01 -1.04 -3.42 120.40 124.25 2jnb s VAL 55 Ca -0.11 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2jnb s VAL 55 Cb -0.15 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2jnb s VAL 55 CO 0.02 0.40 0.01 -0.04 0.00 0.00 0.00 175.10 175.48 2jnb s MET 56 N -1.39 -0.01 -0.16 2.72 -1.94 -1.21 -1.65 119.30 115.66 2jnb s MET 56 Ca 0.17 0.04 -0.29 0.00 -1.71 0.00 0.00 55.69 53.89 2jnb s MET 56 Cb -0.11 -0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.64 2jnb s MET 56 CO 0.07 -0.03 1.85 0.00 -0.01 0.00 0.00 175.02 176.90 2jnb s ALA 57 N 0.20 3.21 0.59 3.03 0.00 -0.83 -3.75 121.76 124.20 2jnb s ALA 57 Ca -0.02 0.74 0.30 0.00 0.00 0.00 0.00 51.96 52.99 2jnb s ALA 57 Cb -0.02 -3.91 1.78 0.00 0.00 0.00 0.00 23.12 20.97 2jnb s ALA 57 CO -0.01 -2.08 2.20 0.00 0.00 0.00 0.00 175.76 175.88 2jnb h ALA 58 N 11.78 1.61 -0.75 0.00 0.00 -1.91 -0.79 119.26 129.19 2jnb h ALA 58 Ca -0.39 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.04 2jnb h ALA 58 Cb 1.19 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.72 2jnb h ALA 58 CO 0.98 -0.12 0.20 -3.47 0.00 0.00 0.00 179.25 176.84 2jnb n ASP 59 N -3.78 4.80 -4.29 0.00 2.03 -1.26 -4.98 116.55 109.07 2jnb n ASP 59 Ca -0.01 -3.75 -0.23 0.00 0.52 0.00 0.00 54.79 51.32 2jnb n ASP 59 Cb 0.18 -0.72 -0.12 0.00 -0.72 0.00 0.00 41.12 39.74 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 -3.51 1.82 0.13 -1.67 0.00 -0.30 -5.08 121.76 113.15 2jnb s ALA 60 Ca 0.55 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2jnb s ALA 60 Cb 0.45 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2jnb s ALA 60 CO 0.02 0.30 -0.06 -1.21 0.00 0.00 0.00 175.76 174.82 2jnb s GLU 61 N -2.21 0.98 0.51 0.00 2.02 -1.26 -4.04 118.70 114.69 2jnb s GLU 61 Ca 0.09 -1.43 -0.21 0.00 0.02 0.00 0.00 54.97 53.44 2jnb s GLU 61 Cb -0.08 -0.36 -0.07 0.00 0.10 0.00 0.00 34.13 33.72 2jnb s GLU 61 CO 0.05 -0.02 1.14 -1.25 0.02 0.00 0.00 175.26 175.21 2jnb s PRO 62 N -3.83 3.54 -0.08 0.39 0.04 -1.26 -5.04 135.00 128.76 2jnb s PRO 62 Ca 0.17 1.68 0.11 0.00 0.04 0.00 0.00 61.00 63.00 2jnb s PRO 62 Cb 0.05 -2.18 -0.24 0.00 0.04 0.00 0.00 34.50 32.17 2jnb s PRO 62 CO -0.01 -0.71 0.52 -0.11 0.04 0.00 0.00 177.00 176.73 2jnb n LEU 63 N -0.94 0.94 -0.11 -3.56 -0.00 -1.26 -4.27 117.00 107.80 2jnb n LEU 63 Ca 0.10 0.32 -0.05 0.00 -0.00 0.00 0.00 56.01 56.37 2jnb n LEU 63 Cb 0.50 0.08 0.01 0.00 -0.00 0.00 0.00 43.42 44.01 2jnb n LEU 63 CO 0.45 0.46 0.78 -0.33 -0.00 0.00 0.00 177.39 178.75 2jnb h GLU 64 N 0.01 -0.01 -0.83 1.96 5.08 -1.99 -1.07 114.58 117.73 2jnb h GLU 64 Ca -0.35 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.14 2jnb h GLU 64 Cb 2.05 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.22 2jnb h GLU 64 CO 0.07 -0.01 0.44 0.82 -1.00 0.00 0.00 179.01 179.33 2jnb h ILE 65 N -0.01 0.80 0.00 3.13 2.04 -2.01 0.22 117.51 121.68 2jnb h ILE 65 Ca 0.19 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2jnb h ILE 65 Cb 0.29 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2jnb h ILE 65 CO -0.40 0.12 -0.04 0.40 0.00 0.00 0.00 178.15 178.23 2jnb h ILE 66 N 0.68 0.51 0.00 -0.67 2.04 -1.39 0.31 117.51 118.98 2jnb h ILE 66 Ca 0.43 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2jnb h ILE 66 Cb 0.53 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2jnb h ILE 66 CO -0.31 0.04 -0.36 -0.11 0.00 0.00 0.00 178.15 177.40 2jnb n LEU 67 N -3.74 0.42 0.15 1.44 7.94 0.73 -3.62 117.00 120.32 2jnb n LEU 67 Ca -0.03 0.21 0.02 0.00 -1.11 0.00 0.00 56.01 55.11 2jnb n LEU 67 Cb 0.13 -0.31 0.14 0.00 0.53 0.00 0.00 43.42 43.91 2jnb n LEU 67 CO 0.28 0.04 0.51 -0.74 -1.11 0.00 0.00 177.39 176.37 2jnb h HIS 68 N 0.00 0.00 0.20 1.96 2.76 -0.38 -3.32 115.15 116.37 2jnb h HIS 68 Ca 0.00 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2jnb h HIS 68 Cb 0.56 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.48 2jnb h HIS 68 CO 0.00 0.52 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.56 2jnb h LEU 69 N 0.00 -1.53 -9.26 0.26 3.38 -1.62 -3.40 115.31 103.14 2jnb h LEU 69 Ca -0.01 0.15 -0.55 0.00 0.09 0.00 0.00 57.88 57.57 2jnb h LEU 69 Cb 1.23 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2jnb h LEU 69 CO 0.07 -0.58 0.98 -2.16 0.09 0.00 0.00 178.44 176.84 2jnb s PRO 70 N -5.81 4.22 -0.13 1.13 0.04 -1.25 -4.93 135.00 128.26 2jnb s PRO 70 Ca -0.17 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 2jnb s PRO 70 Cb 0.06 -3.83 -0.07 0.00 0.04 0.00 0.00 34.50 30.70 2jnb s PRO 70 CO 0.61 -0.75 0.08 -0.07 0.04 0.00 0.00 177.00 176.91 2jnb h LEU 71 N 9.65 0.00 0.00 -3.56 4.07 -1.88 -3.47 115.31 120.12 2jnb h LEU 71 Ca -0.36 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2jnb h LEU 71 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2jnb h LEU 71 CO 0.95 0.80 0.00 0.18 -1.08 0.00 0.00 178.44 179.28 2jnb n LEU 72 N -4.65 0.00 0.00 1.67 7.99 -1.26 -5.16 117.00 115.59 2jnb n LEU 72 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 2jnb n LEU 72 Cb 0.25 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.45 2jnb n LEU 72 CO 0.11 -0.27 0.00 0.00 -1.51 0.00 0.00 177.39 175.72 2jnb h GLU 74 N 0.00 0.40 -0.18 0.00 9.09 -1.95 0.25 114.58 122.19 2jnb h GLU 74 Ca 0.00 -0.02 0.05 0.00 0.05 0.00 0.00 59.36 59.44 2jnb h GLU 74 Cb 0.00 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.00 2jnb h GLU 74 CO 0.00 0.26 0.14 -0.44 0.05 0.00 0.00 179.01 179.02 2jnb h ASP 75 N 0.41 0.00 -0.39 3.06 3.32 -1.95 0.23 116.42 121.09 2jnb h ASP 75 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2jnb h ASP 75 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2jnb h ASP 75 CO -0.15 0.00 0.00 1.17 -1.72 0.00 0.00 179.24 178.54 2jnb n LYS 76 N -4.32 2.46 -2.44 3.56 0.00 0.87 -4.96 118.16 113.33 2jnb n LYS 76 Ca 0.01 -1.64 -0.01 0.00 0.00 0.00 0.00 58.31 56.67 2jnb n LYS 76 Cb 0.27 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.74 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 -6.57 -3.33 3.14 5.15 0.81 -4.94 115.26 110.13 2jnb n ASN 77 Ca 0.15 0.97 -0.14 0.00 -0.60 0.00 0.00 54.58 54.96 2jnb n ASN 77 Cb 0.52 -4.30 -0.06 0.00 -0.53 0.00 0.00 39.78 35.41 2jnb n ASN 77 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jnb s VAL 78 N -1.41 -0.44 -0.12 3.44 1.01 -1.25 -5.00 120.40 116.63 2jnb s VAL 78 Ca 0.03 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 2jnb s VAL 78 Cb -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2jnb s VAL 78 CO 0.59 -0.49 1.54 -2.16 0.00 0.00 0.00 175.10 174.58 2jnb s PRO 79 N 1.45 4.12 0.02 2.72 0.04 -1.26 -4.68 135.00 137.41 2jnb s PRO 79 Ca 0.17 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.20 2jnb s PRO 79 Cb -0.13 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2jnb s PRO 79 CO -0.03 -0.90 -0.12 1.52 0.04 0.00 0.00 177.00 177.51 2jnb s TYR 80 N 4.12 1.06 -0.21 0.56 -0.85 -1.26 -3.35 117.35 117.42 2jnb s TYR 80 Ca 0.68 -0.30 -0.16 0.00 -0.52 0.00 0.00 57.07 56.77 2jnb s TYR 80 Cb -0.28 -0.65 0.06 0.00 0.38 0.00 0.00 41.96 41.47 2jnb s TYR 80 CO 0.25 0.01 0.54 0.54 -1.52 0.00 0.00 175.55 175.37 2jnb s VAL 81 N -0.68 -0.01 0.18 -3.49 0.11 -1.22 -4.97 120.40 110.32 2jnb s VAL 81 Ca 0.01 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.02 2jnb s VAL 81 Cb -0.07 -0.77 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 2jnb s VAL 81 CO 0.01 0.01 0.45 -0.36 -3.33 0.00 0.00 175.10 171.88 2jnb s PHE 82 N 0.86 3.45 0.18 1.54 0.08 -1.24 -3.35 117.98 119.51 2jnb s PHE 82 Ca -0.05 0.68 0.04 0.00 0.12 0.00 0.00 56.93 57.72 2jnb s PHE 82 Cb -0.05 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.25 2jnb s PHE 82 CO -0.07 0.36 -0.06 0.14 -0.10 0.00 0.00 175.22 175.49 2jnb s VAL 83 N -1.74 1.10 -0.84 -0.44 -7.23 -1.25 -3.86 120.40 106.13 2jnb s VAL 83 Ca 0.44 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 2jnb s VAL 83 Cb -0.12 -2.05 0.34 0.00 0.56 0.00 0.00 36.38 35.11 2jnb s VAL 83 CO 0.24 -0.57 1.60 0.54 -0.31 0.00 0.00 175.10 176.59 2jnb n ARG 84 N -0.28 4.28 -2.13 4.82 1.74 -1.26 -3.51 116.66 120.32 2jnb n ARG 84 Ca -0.08 -4.49 -0.02 0.00 -0.77 0.00 0.00 57.85 52.49 2jnb n ARG 84 Cb 0.62 -2.36 -0.01 0.00 -1.02 0.00 0.00 32.46 29.68 2jnb n ARG 84 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jnb n SER 85 N -0.23 -4.94 -4.12 0.55 2.88 -1.26 -4.98 113.62 101.52 2jnb n SER 85 Ca 0.44 1.25 -0.36 0.00 -1.33 0.00 0.00 58.87 58.87 2jnb n SER 85 Cb 0.32 -4.18 -0.12 0.00 -0.75 0.00 0.00 64.21 59.48 2jnb n SER 85 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2jnb s LYS 86 N -0.89 2.01 0.30 -1.46 2.20 -1.26 -4.94 119.74 115.70 2jnb s LYS 86 Ca -0.09 -1.83 0.07 0.00 -0.36 0.00 0.00 55.97 53.77 2jnb s LYS 86 Cb 0.01 -3.59 0.48 0.00 -1.51 0.00 0.00 37.83 33.22 2jnb s LYS 86 CO 0.24 -1.08 1.71 1.96 -0.36 0.00 0.00 175.35 177.82 2jnb h GLN 87 N 8.05 0.20 -0.05 4.03 4.20 -1.96 -2.89 115.11 126.69 2jnb h GLN 87 Ca -0.13 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.34 2jnb h GLN 87 Cb 1.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 2jnb h GLN 87 CO 0.70 0.58 -0.64 0.00 -0.67 0.00 0.00 178.83 178.80 2jnb h ALA 88 N 1.41 0.83 -0.54 3.87 0.00 -1.94 -3.04 119.26 119.84 2jnb h ALA 88 Ca 0.01 -0.57 0.16 0.00 0.00 0.00 0.00 54.91 54.51 2jnb h ALA 88 Cb 0.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2jnb h ALA 88 CO 0.06 0.76 0.45 1.25 0.00 0.00 0.00 179.25 181.78 2jnb h LEU 89 N 0.13 0.00 0.02 0.00 5.85 -1.89 0.16 115.31 119.58 2jnb h LEU 89 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jnb h LEU 89 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2jnb h LEU 89 CO 0.10 0.00 -0.01 1.23 -0.34 0.00 0.00 178.44 179.42 2jnb h GLY 90 N 0.00 -0.02 2.00 3.75 0.00 -1.64 -3.29 103.07 103.87 2jnb h GLY 90 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2jnb h GLY 90 CO -0.00 -0.01 -0.11 0.07 0.00 0.00 0.00 176.54 176.49 2jnb h ARG 91 N -0.97 0.00 0.00 4.80 0.11 -0.21 -0.21 114.38 117.90 2jnb h ARG 91 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2jnb h ARG 91 Cb 0.66 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.74 2jnb h ARG 91 CO 0.00 0.11 -0.14 0.00 0.10 0.00 0.00 179.97 180.05 2jnb h ALA 92 N 1.89 1.27 0.01 0.08 0.00 -0.80 -3.06 119.26 118.64 2jnb h ALA 92 Ca -0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 54.91 54.41 2jnb h ALA 92 Cb 0.24 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2jnb h ALA 92 CO 0.01 0.17 -2.40 0.00 0.00 0.00 0.00 179.25 177.04 2jnb n GLY 94 N 2.03 0.34 3.27 0.00 0.00 -0.25 -5.11 105.19 105.46 2jnb n GLY 94 Ca -0.39 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.56 0.03 0.15 1.61 -7.23 -0.26 -4.96 120.40 109.18 2jnb s VAL 95 Ca 0.00 -0.27 -0.05 0.00 -1.81 0.00 0.00 61.98 59.85 2jnb s VAL 95 Cb 0.00 -0.61 -0.11 0.00 0.56 0.00 0.00 36.38 36.22 2jnb s VAL 95 CO 0.00 -0.15 1.41 0.77 -0.31 0.00 0.00 175.10 176.82 2jnb h SER 96 N 4.43 0.66 -3.71 4.85 4.64 -1.95 0.94 113.55 123.42 2jnb h SER 96 Ca -0.28 -0.42 -0.49 0.00 -0.47 0.00 0.00 61.79 60.12 2jnb h SER 96 Cb 1.18 -0.19 0.04 0.00 -0.31 0.00 0.00 62.40 63.11 2jnb h SER 96 CO 0.35 1.18 0.17 -0.13 -0.87 0.00 0.00 176.83 177.52 2jnb s ARG 97 N -3.74 3.48 0.92 4.77 0.52 -1.26 -4.69 118.95 118.96 2jnb s ARG 97 Ca -0.07 0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 2jnb s ARG 97 Cb 0.10 -2.31 0.14 0.00 0.52 0.00 0.00 34.95 33.40 2jnb s ARG 97 CO 0.86 -0.32 1.09 -1.25 0.02 0.00 0.00 175.30 175.70 2jnb s PRO 98 N -4.84 1.04 -0.13 3.54 0.04 -1.26 -4.16 135.00 129.23 2jnb s PRO 98 Ca 0.49 0.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.21 2jnb s PRO 98 Cb -0.10 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2jnb s PRO 98 CO 0.46 -2.37 0.11 0.08 0.04 0.00 0.00 177.00 175.32 2jnb s VAL 99 N -2.94 5.27 0.01 -0.36 1.01 -1.26 -4.85 120.40 117.27 2jnb s VAL 99 Ca 0.64 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.85 2jnb s VAL 99 Cb -0.18 -3.30 -0.20 0.00 0.00 0.00 0.00 36.38 32.70 2jnb s VAL 99 CO 0.57 0.59 0.97 0.40 0.00 0.00 0.00 175.10 177.63 2jnb h ILE 100 N 4.13 1.16 -1.25 2.22 2.04 -1.94 -3.32 117.51 120.54 2jnb h ILE 100 Ca -0.52 -2.89 0.14 0.00 1.00 0.00 0.00 64.86 62.58 2jnb h ILE 100 Cb 1.21 2.55 -0.22 0.00 -0.74 0.00 0.00 36.82 39.63 2jnb h ILE 100 CO 0.60 0.66 0.00 0.00 0.00 0.00 0.00 178.15 179.41 2jnb s ALA 101 N -2.69 -2.50 0.11 1.87 0.00 -1.26 -1.97 121.76 115.32 2jnb s ALA 101 Ca -0.02 2.04 0.07 0.00 0.00 0.00 0.00 51.96 54.05 2jnb s ALA 101 Cb 0.09 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2jnb s ALA 101 CO 0.82 -1.08 -0.18 0.00 0.00 0.00 0.00 175.76 175.32 2jnb s SER 103 N -2.06 4.20 -0.17 0.00 0.15 0.82 -2.51 113.70 114.13 2jnb s SER 103 Ca 0.06 -0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.47 2jnb s SER 103 Cb -0.09 -1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.00 2jnb s SER 103 CO 0.04 0.29 -0.00 -0.69 1.20 0.00 0.00 173.24 174.07 2jnb s VAL 104 N -0.36 4.11 0.38 4.45 1.01 -0.59 -3.12 120.40 126.27 2jnb s VAL 104 Ca 0.04 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2jnb s VAL 104 Cb -0.12 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2jnb s VAL 104 CO 0.02 0.47 0.27 0.42 0.00 0.00 0.00 175.10 176.28 2jnb s THR 105 N 0.54 2.88 0.13 3.92 -4.23 -1.26 -0.22 115.64 117.40 2jnb s THR 105 Ca -0.01 -1.48 0.09 0.00 -1.18 0.00 0.00 61.69 59.10 2jnb s THR 105 Cb -0.14 -3.04 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 2jnb s THR 105 CO 0.02 -0.08 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.36 2jnb s ILE 106 N -2.44 2.99 -0.32 2.99 2.07 -1.21 -4.79 121.20 120.49 2jnb s ILE 106 Ca 0.43 -1.50 -0.06 0.00 -1.41 0.00 0.00 60.65 58.10 2jnb s ILE 106 Cb -0.02 -2.40 0.03 0.00 0.13 0.00 0.00 42.46 40.19 2jnb s ILE 106 CO 0.26 0.06 0.09 -0.75 -1.91 0.00 0.00 174.94 172.68 2jnb s LYS 107 N -2.30 2.81 0.37 3.50 2.47 -1.26 -5.08 119.74 120.25 2jnb s LYS 107 Ca 0.20 -1.05 -0.27 0.00 -1.56 0.00 0.00 55.97 53.29 2jnb s LYS 107 Cb -0.10 -3.41 -0.11 0.00 -1.46 0.00 0.00 37.83 32.74 2jnb s LYS 107 CO 0.12 -0.57 1.27 0.39 0.16 0.00 0.00 175.35 176.72 2jnb n GLU 108 N 4.83 2.03 -3.52 4.03 4.71 -1.26 -2.81 120.64 128.65 2jnb n GLU 108 Ca -0.13 0.72 -0.19 0.00 -0.01 0.00 0.00 57.16 57.54 2jnb n GLU 108 Cb 0.46 -2.34 0.07 0.00 -1.01 0.00 0.00 31.44 28.62 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jnb n GLY 109 N 0.80 -0.43 3.04 0.62 0.00 -1.26 -5.01 105.19 102.94 2jnb n GLY 109 Ca 0.05 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.24 -0.09 0.59 1.61 1.04 -1.12 -5.02 113.70 106.47 2jnb s SER 110 Ca 0.06 0.13 0.29 0.00 0.48 0.00 0.00 55.95 56.91 2jnb s SER 110 Cb -0.01 0.26 1.65 0.00 0.10 0.00 0.00 66.02 68.03 2jnb s SER 110 CO 0.76 -0.14 2.08 0.06 0.98 0.00 0.00 173.24 176.98 2jnb h GLN 111 N 5.45 0.00 -0.00 4.02 3.07 -1.95 0.72 115.11 126.42 2jnb h GLN 111 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.47 2jnb h GLN 111 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.76 2jnb h GLN 111 CO 0.41 0.00 0.00 -0.07 0.09 0.00 0.00 178.83 179.27 2jnb h LEU 112 N 0.00 0.00 0.14 0.06 4.07 -1.95 -2.97 115.31 114.65 2jnb h LEU 112 Ca 0.10 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.06 2jnb h LEU 112 Cb 0.56 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.27 2jnb h LEU 112 CO -0.00 0.00 -0.38 0.11 -1.08 0.00 0.00 178.44 177.09 2jnb h LYS 113 N 0.00 -0.55 -0.34 1.13 1.79 -1.11 0.25 116.57 117.75 2jnb h LYS 113 Ca 0.00 0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 2jnb h LYS 113 Cb 0.01 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2jnb h LYS 113 CO -0.00 -0.37 -0.02 -0.56 -1.08 0.00 0.00 179.45 177.42 2jnb h GLN 114 N -0.57 0.53 -0.35 3.15 3.07 -1.74 -1.79 115.11 117.41 2jnb h GLN 114 Ca -0.01 -0.12 0.01 0.00 0.09 0.00 0.00 58.65 58.62 2jnb h GLN 114 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.02 2jnb h GLN 114 CO -0.18 0.57 0.21 1.96 0.09 0.00 0.00 178.83 181.48 2jnb h GLN 115 N 0.51 0.41 -0.08 0.06 1.08 -1.32 -1.58 115.11 114.19 2jnb h GLN 115 Ca 0.11 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 2jnb h GLN 115 Cb 0.36 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2jnb h GLN 115 CO 0.01 0.27 -0.54 0.82 -0.95 0.00 0.00 178.83 178.44 2jnb h ILE 116 N 0.42 1.36 0.00 2.54 2.04 -0.28 -2.87 117.51 120.72 2jnb h ILE 116 Ca 0.13 -1.84 -0.04 0.00 1.00 0.00 0.00 64.86 64.12 2jnb h ILE 116 Cb -0.01 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2jnb h ILE 116 CO -0.06 0.54 -0.19 -0.61 0.00 0.00 0.00 178.15 177.84 2jnb h GLN 117 N 0.18 0.00 0.12 2.37 4.15 -0.84 -1.24 115.11 119.85 2jnb h GLN 117 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2jnb h GLN 117 Cb 1.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2jnb h GLN 117 CO 0.08 0.19 -0.06 1.03 -1.93 0.00 0.00 178.83 178.15 2jnb h SER 118 N 0.00 -0.13 0.66 -0.69 0.87 -1.07 -2.75 113.55 110.44 2jnb h SER 118 Ca -0.00 -0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.18 2jnb h SER 118 Cb 0.46 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2jnb h SER 118 CO 0.02 0.19 -0.58 -0.29 -0.53 0.00 0.00 176.83 175.64 2jnb h ILE 119 N -0.47 1.35 -0.09 2.23 2.10 -1.59 -3.01 117.51 118.04 2jnb h ILE 119 Ca -0.02 -2.03 -0.02 0.00 1.08 0.00 0.00 64.86 63.88 2jnb h ILE 119 Cb 0.38 2.11 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 2jnb h ILE 119 CO 0.03 0.57 -0.05 -0.61 -1.08 0.00 0.00 178.15 177.01 2jnb h GLN 120 N 0.00 0.13 -0.46 2.19 4.15 -1.17 -1.98 115.11 117.96 2jnb h GLN 120 Ca -0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2jnb h GLN 120 Cb 1.06 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 2jnb h GLN 120 CO 0.08 0.19 0.20 0.37 -1.93 0.00 0.00 178.83 177.73 2jnb h GLN 121 N 0.13 0.65 -0.58 1.69 4.15 -1.34 -1.24 115.11 118.57 2jnb h GLN 121 Ca 0.03 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.39 2jnb h GLN 121 Cb 0.17 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 2jnb h GLN 121 CO 0.01 0.53 0.35 0.77 -1.93 0.00 0.00 178.83 178.56 2jnb h SER 122 N 0.65 0.58 0.16 -0.69 0.02 -1.49 0.19 113.55 112.97 2jnb h SER 122 Ca 0.16 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.92 2jnb h SER 122 Cb 0.11 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2jnb h SER 122 CO -0.02 0.41 -0.75 0.40 -1.14 0.00 0.00 176.83 175.73 2jnb h ILE 123 N 0.70 1.35 -0.05 3.27 2.04 -1.52 -2.53 117.51 120.77 2jnb h ILE 123 Ca 0.23 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.97 2jnb h ILE 123 Cb 0.01 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2jnb h ILE 123 CO -0.09 0.64 0.01 -0.33 0.00 0.00 0.00 178.15 178.38 2jnb h GLU 124 N 0.34 0.08 0.00 2.37 4.39 -0.81 0.23 114.58 121.18 2jnb h GLU 124 Ca -0.04 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2jnb h GLU 124 Cb 1.34 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.98 2jnb h GLU 124 CO 0.14 0.33 -0.20 0.07 -1.16 0.00 0.00 179.01 178.19 2jnb h ARG 125 N -0.18 0.00 0.00 2.33 0.11 -0.70 -2.08 114.38 113.86 2jnb h ARG 125 Ca 0.01 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.95 2jnb h ARG 125 Cb 0.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 2jnb h ARG 125 CO 0.00 0.20 -0.86 -0.07 0.10 0.00 0.00 179.97 179.34 2jnb h LEU 126 N 0.00 0.00 -0.87 0.08 3.38 -1.23 -3.26 115.31 113.41 2jnb h LEU 126 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2jnb h LEU 126 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2jnb h LEU 126 CO 0.03 0.61 -0.45 -0.07 0.09 0.00 0.00 178.44 178.64 2jnb h LEU 127 N 0.00 0.00 0.00 1.67 -0.00 0.14 -3.47 115.31 113.64 2jnb h LEU 127 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2jnb h LEU 127 Cb 1.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.18 2jnb h LEU 127 CO 0.07 0.45 0.00 0.55 -0.00 0.00 0.00 178.44 179.51