#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnb s THR 2 N 0.00 -0.63 -0.46 1.12 -1.32 -1.26 -5.08 115.64 108.01 2jnb s THR 2 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2jnb s THR 2 Cb 0.00 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.28 2jnb s THR 2 CO 0.00 0.00 1.05 -1.84 -2.21 0.00 0.00 174.62 171.62 2jnb n GLU 3 N 5.16 0.89 -1.99 7.08 0.00 -1.26 -5.12 120.64 125.40 2jnb n GLU 3 Ca -0.09 -1.80 -0.42 0.00 0.00 0.00 0.00 57.16 54.85 2jnb n GLU 3 Cb 0.52 -1.14 -0.03 0.00 0.00 0.00 0.00 31.44 30.79 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jnb s ALA 4 N 0.41 3.63 -0.37 -1.84 0.00 -1.26 -4.88 121.76 117.46 2jnb s ALA 4 Ca 0.26 1.03 0.01 0.00 0.00 0.00 0.00 51.96 53.26 2jnb s ALA 4 Cb 0.27 -3.72 0.28 0.00 0.00 0.00 0.00 23.12 19.95 2jnb s ALA 4 CO -0.13 -1.26 1.19 -3.47 0.00 0.00 0.00 175.76 172.09 2jnb n ASP 5 N 6.46 -1.68 -3.98 0.00 2.03 -1.26 -5.15 116.55 112.97 2jnb n ASP 5 Ca 0.16 -2.23 -0.20 0.00 0.52 0.00 0.00 54.79 53.04 2jnb n ASP 5 Cb 0.42 1.09 -0.16 0.00 -0.72 0.00 0.00 41.12 41.76 2jnb n ASP 5 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jnb s VAL 6 N 0.23 0.73 0.95 5.18 0.11 -1.26 -5.14 120.40 121.21 2jnb s VAL 6 Ca 0.26 -0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 2jnb s VAL 6 Cb 0.23 -0.67 0.07 0.00 -1.53 0.00 0.00 36.38 34.48 2jnb s VAL 6 CO -0.13 0.24 0.56 0.59 -3.33 0.00 0.00 175.10 173.03 2jnb n ASN 7 N 3.42 -1.56 -0.04 3.54 4.13 -1.26 -4.92 115.26 118.57 2jnb n ASN 7 Ca -0.19 0.32 -0.09 0.00 1.68 0.00 0.00 54.58 56.30 2jnb n ASN 7 Cb 0.54 -1.26 0.06 0.00 -1.54 0.00 0.00 39.78 37.58 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 0.68 -5.02 3.52 0.13 -2.01 -3.47 132.00 124.15 2jnb h PRO 8 Ca -0.44 -0.35 -0.40 0.00 -0.87 0.00 0.00 66.00 63.94 2jnb h PRO 8 Cb 1.28 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jnb h PRO 8 CO 0.36 0.96 -0.59 1.17 -0.23 0.00 0.00 178.00 179.67 2jnb n LYS 9 N -4.03 -4.40 -2.11 0.86 4.81 -1.26 -0.51 118.16 111.51 2jnb n LYS 9 Ca -0.02 0.71 -0.19 0.00 -0.87 0.00 0.00 58.31 57.94 2jnb n LYS 9 Cb 0.53 -5.51 -0.03 0.00 0.02 0.00 0.00 35.03 30.03 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 -3.64 -0.53 -2.36 3.14 0.00 -1.26 -4.96 120.51 110.90 2jnb n ALA 10 Ca -0.06 0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 2jnb n ALA 10 Cb 0.58 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.95 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 -2.82 1.76 0.75 0.00 1.51 0.34 -4.17 117.35 114.71 2jnb s TYR 11 Ca 0.00 -0.55 -0.11 0.00 -1.01 0.00 0.00 57.07 55.40 2jnb s TYR 11 Cb 0.00 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2jnb s TYR 11 CO 0.00 0.39 1.10 -1.25 -1.11 0.00 0.00 175.55 174.68 2jnb s PRO 12 N -3.63 2.37 -0.23 -1.71 0.04 -1.26 -4.83 135.00 125.75 2jnb s PRO 12 Ca 0.23 1.21 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 2jnb s PRO 12 Cb -0.01 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2jnb s PRO 12 CO 0.08 -1.56 -0.07 -1.17 0.04 0.00 0.00 177.00 174.31 2jnb s LEU 13 N -5.70 2.91 -0.08 -3.56 2.96 -1.26 -3.44 118.68 110.51 2jnb s LEU 13 Ca 0.62 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 53.59 2jnb s LEU 13 Cb -0.18 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2jnb s LEU 13 CO 0.53 -0.07 1.04 0.00 -1.32 0.00 0.00 176.35 176.53 2jnb s ALA 14 N 1.38 3.39 0.95 5.97 0.00 -1.26 -5.01 121.76 127.19 2jnb s ALA 14 Ca 0.03 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 2jnb s ALA 14 Cb -0.15 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.59 2jnb s ALA 14 CO -0.05 -0.58 0.49 -0.40 0.00 0.00 0.00 175.76 175.21 2jnb n ASP 15 N 4.88 -1.79 0.30 0.00 5.68 -1.26 -4.58 116.55 119.78 2jnb n ASP 15 Ca 0.09 0.32 0.15 0.00 -0.50 0.00 0.00 54.79 54.84 2jnb n ASP 15 Cb 0.49 -1.23 0.90 0.00 -1.14 0.00 0.00 41.12 40.13 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 -1.63 1.55 -0.38 2.12 0.00 -1.97 -1.18 119.26 117.76 2jnb h ALA 16 Ca -0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jnb h ALA 16 Cb 1.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2jnb h ALA 16 CO 0.35 0.00 0.22 1.25 0.00 0.00 0.00 179.25 181.07 2jnb h HIS 17 N 0.00 0.51 0.21 0.00 6.17 -2.01 -0.93 115.15 119.11 2jnb h HIS 17 Ca -0.00 -0.01 -0.32 0.00 0.71 0.00 0.00 60.37 60.76 2jnb h HIS 17 Cb 0.00 -0.16 0.03 0.00 2.52 0.00 0.00 27.41 29.80 2jnb h HIS 17 CO 0.00 0.38 -1.40 1.25 0.71 0.00 0.00 177.93 178.87 2jnb h LEU 18 N 0.49 0.72 -1.86 0.26 6.46 -1.73 -3.28 115.31 116.37 2jnb h LEU 18 Ca 0.13 -0.76 0.01 0.00 -0.12 0.00 0.00 57.88 57.14 2jnb h LEU 18 Cb 0.03 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.72 2jnb h LEU 18 CO -0.02 1.60 0.12 0.74 -0.62 0.00 0.00 178.44 180.26 2jnb h THR 19 N 0.13 1.01 -0.21 1.05 2.02 -1.15 -1.60 112.91 114.16 2jnb h THR 19 Ca -0.22 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 66.96 2jnb h THR 19 Cb 2.10 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 2jnb h THR 19 CO 0.25 0.03 -0.22 0.11 0.37 0.00 0.00 175.52 176.07 2jnb h LYS 20 N 0.18 -0.23 -0.01 6.66 1.57 -1.22 -0.12 116.57 123.41 2jnb h LYS 20 Ca 0.07 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.68 2jnb h LYS 20 Cb 0.06 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2jnb h LYS 20 CO -0.01 -0.15 -0.83 1.57 -0.57 0.00 0.00 179.45 179.45 2jnb h LYS 21 N -0.24 0.17 -0.84 3.15 2.10 -1.64 -3.24 116.57 116.04 2jnb h LYS 21 Ca 0.13 -0.17 0.05 0.00 -2.00 0.00 0.00 60.65 58.66 2jnb h LYS 21 Cb 0.43 0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 31.75 2jnb h LYS 21 CO -0.35 0.90 0.52 1.25 -2.00 0.00 0.00 179.45 179.78 2jnb h LEU 22 N 0.10 0.82 -1.71 7.07 5.85 -0.58 -1.07 115.31 125.79 2jnb h LEU 22 Ca -0.03 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.82 2jnb h LEU 22 Cb 1.44 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2jnb h LEU 22 CO 0.12 0.54 0.41 0.25 -0.34 0.00 0.00 178.44 179.42 2jnb h LEU 23 N 0.96 0.28 -1.60 2.25 5.85 -1.06 -0.05 115.31 121.94 2jnb h LEU 23 Ca 0.36 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.17 2jnb h LEU 23 Cb 0.13 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2jnb h LEU 23 CO -0.16 0.16 0.40 -0.78 -0.34 0.00 0.00 178.44 177.72 2jnb h ASP 24 N 0.31 0.42 -0.84 1.25 1.82 -1.32 -1.00 116.42 117.07 2jnb h ASP 24 Ca 0.28 0.01 0.16 0.00 -0.39 0.00 0.00 57.03 57.09 2jnb h ASP 24 Cb 0.69 -0.08 -0.06 0.00 0.68 0.00 0.00 39.33 40.56 2jnb h ASP 24 CO -0.07 0.26 0.55 0.25 -1.61 0.00 0.00 179.24 178.63 2jnb h LEU 25 N 0.47 0.47 0.11 2.28 7.12 -1.07 -0.66 115.31 124.04 2jnb h LEU 25 Ca 0.27 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 2jnb h LEU 25 Cb 0.43 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2jnb h LEU 25 CO -0.08 0.23 -0.06 0.58 -0.13 0.00 0.00 178.44 178.98 2jnb h VAL 26 N 0.49 1.03 -0.08 1.05 2.07 -1.31 -1.04 116.25 118.46 2jnb h VAL 26 Ca 0.42 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2jnb h VAL 26 Cb 0.91 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2jnb h VAL 26 CO -0.16 0.14 -0.01 -0.61 0.02 0.00 0.00 177.57 176.94 2jnb h GLN 27 N -0.42 0.11 -0.01 1.57 4.15 -1.37 -1.59 115.11 117.56 2jnb h GLN 27 Ca -0.02 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.22 2jnb h GLN 27 Cb 0.34 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2jnb h GLN 27 CO 0.03 0.14 -0.77 1.96 -1.93 0.00 0.00 178.83 178.26 2jnb h GLN 28 N 0.11 0.13 0.10 1.69 1.08 -0.96 -2.49 115.11 114.76 2jnb h GLN 28 Ca 0.03 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2jnb h GLN 28 Cb 0.11 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2jnb h GLN 28 CO 0.00 0.84 -0.05 0.77 -0.95 0.00 0.00 178.83 179.44 2jnb h SER 29 N 0.08 -0.11 0.28 1.46 0.02 -0.23 -3.12 113.55 111.93 2jnb h SER 29 Ca -0.02 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 2jnb h SER 29 Cb 1.35 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 2jnb h SER 29 CO 0.11 0.35 -0.16 0.00 -1.14 0.00 0.00 176.83 176.00 2jnb h ASN 31 N 0.00 0.07 -0.75 0.00 -1.24 -1.38 -0.74 115.58 111.54 2jnb h ASN 31 Ca -0.00 -0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.71 2jnb h ASN 31 Cb 0.34 -0.02 -0.18 0.00 0.73 0.00 0.00 38.32 39.20 2jnb h ASN 31 CO 0.02 0.07 0.37 0.00 -1.29 0.00 0.00 177.43 176.60 2jnb n TYR 32 N -4.52 2.42 -3.32 0.67 9.36 -0.82 -4.88 117.16 116.07 2jnb n TYR 32 Ca -0.02 -1.32 -0.24 0.00 3.32 0.00 0.00 57.90 59.64 2jnb n TYR 32 Cb 0.10 -0.73 0.03 0.00 -0.63 0.00 0.00 39.34 38.11 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2jnb n LYS 33 N -0.41 -4.98 -4.09 2.98 5.02 -0.28 -4.97 118.16 111.41 2jnb n LYS 33 Ca 0.43 0.74 -0.17 0.00 -2.02 0.00 0.00 58.31 57.28 2jnb n LYS 33 Cb 1.38 -5.59 -0.15 0.00 -0.02 0.00 0.00 35.03 30.65 2jnb n LYS 33 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jnb s GLN 34 N -6.00 0.49 0.09 1.97 -0.21 -0.96 -5.02 119.66 110.02 2jnb s GLN 34 Ca 0.42 -0.09 -0.27 0.00 0.02 0.00 0.00 55.36 55.44 2jnb s GLN 34 Cb -0.20 -0.53 0.08 0.00 1.00 0.00 0.00 33.01 33.36 2jnb s GLN 34 CO 0.52 -0.01 1.04 -0.48 -2.12 0.00 0.00 175.29 174.24 2jnb s LEU 35 N 0.46 -0.17 -0.27 2.90 0.05 -1.26 -1.93 118.68 118.46 2jnb s LEU 35 Ca -0.05 -0.29 -0.06 0.00 0.05 0.00 0.00 54.13 53.78 2jnb s LEU 35 Cb -0.09 1.94 0.14 0.00 -2.05 0.00 0.00 46.19 46.14 2jnb s LEU 35 CO -0.00 -0.72 0.55 -0.60 -0.55 0.00 0.00 176.35 175.03 2jnb s ARG 36 N -3.05 0.49 -0.39 1.48 6.06 -1.17 -4.84 118.95 117.54 2jnb s ARG 36 Ca 0.12 1.11 0.06 0.00 -2.50 0.00 0.00 55.73 54.52 2jnb s ARG 36 Cb 0.00 0.48 0.17 0.00 0.06 0.00 0.00 34.95 35.66 2jnb s ARG 36 CO -0.00 -0.39 0.52 -1.59 -2.50 0.00 0.00 175.30 171.33 2jnb s LYS 37 N 2.78 0.74 -0.24 5.12 -2.85 -1.26 -0.96 119.74 123.06 2jnb s LYS 37 Ca 0.05 -0.53 -0.27 0.00 -1.00 0.00 0.00 55.97 54.22 2jnb s LYS 37 Cb -0.13 -0.27 0.14 0.00 -2.06 0.00 0.00 37.83 35.51 2jnb s LYS 37 CO -0.18 -1.19 1.11 0.20 0.10 0.00 0.00 175.35 175.39 2jnb s GLY 38 N 1.67 -0.10 -0.04 0.59 0.00 -0.59 -4.98 107.32 103.87 2jnb s GLY 38 Ca 0.16 2.56 -0.20 0.00 0.00 0.00 0.00 44.72 47.25 2jnb s GLY 38 CO -0.05 1.47 0.84 0.00 0.00 0.00 0.00 173.10 175.35 2jnb h ALA 39 N 3.20 -0.38 0.00 3.20 0.00 -2.00 -3.05 119.26 120.24 2jnb h ALA 39 Ca -0.22 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 2jnb h ALA 39 Cb 1.17 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2jnb h ALA 39 CO 0.21 -0.42 -0.71 -0.97 0.00 0.00 0.00 179.25 177.36 2jnb h ASN 40 N -0.96 0.00 0.07 0.00 -1.24 -1.97 -3.12 115.58 108.36 2jnb h ASN 40 Ca -0.04 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 2jnb h ASN 40 Cb 0.49 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.54 2jnb h ASN 40 CO 0.06 0.71 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.53 2jnb h GLU 41 N 0.00 0.00 -0.18 6.67 5.08 -1.95 -1.52 114.58 122.67 2jnb h GLU 41 Ca -0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2jnb h GLU 41 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2jnb h GLU 41 CO 0.09 0.05 0.18 0.00 -1.00 0.00 0.00 179.01 178.33 2jnb h ALA 42 N 1.95 1.86 0.00 3.43 0.00 -1.46 0.44 119.26 125.48 2jnb h ALA 42 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jnb h ALA 42 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jnb h ALA 42 CO 0.01 -0.27 -0.13 1.79 0.00 0.00 0.00 179.25 180.64 2jnb h THR 43 N 0.00 0.68 0.11 0.00 1.35 -1.47 -2.83 112.91 110.74 2jnb h THR 43 Ca 0.08 -0.55 -0.15 0.00 -0.55 0.00 0.00 66.41 65.25 2jnb h THR 43 Cb 0.44 1.34 0.02 0.00 -1.73 0.00 0.00 68.15 68.22 2jnb h THR 43 CO -0.00 0.13 -0.64 0.11 -0.25 0.00 0.00 175.52 174.87 2jnb h LYS 44 N 0.00 0.23 -0.18 4.72 1.79 -1.08 -3.17 116.57 118.89 2jnb h LYS 44 Ca -0.00 -0.40 0.05 0.00 -2.18 0.00 0.00 60.65 58.12 2jnb h LYS 44 Cb 0.33 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 2jnb h LYS 44 CO 0.02 1.19 -0.27 1.79 -1.08 0.00 0.00 179.45 181.10 2jnb h THR 45 N -0.51 0.37 -0.16 -0.16 1.35 -1.45 0.33 112.91 112.67 2jnb h THR 45 Ca -0.11 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.78 2jnb h THR 45 Cb 1.50 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2jnb h THR 45 CO 0.12 0.00 0.11 0.17 -0.25 0.00 0.00 175.52 175.67 2jnb h LEU 46 N -0.31 0.06 -0.51 3.87 8.10 -1.65 -0.15 115.31 124.72 2jnb h LEU 46 Ca 0.11 -0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.02 2jnb h LEU 46 Cb 0.48 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.67 2jnb h LEU 46 CO -0.35 0.04 -0.00 -1.13 -4.11 0.00 0.00 178.44 172.88 2jnb h ASN 47 N 0.06 0.89 1.42 0.17 -1.24 -0.94 -2.87 115.58 113.07 2jnb h ASN 47 Ca 0.07 -0.31 -0.09 0.00 0.71 0.00 0.00 56.30 56.69 2jnb h ASN 47 Cb 0.21 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2jnb h ASN 47 CO -0.01 0.98 -0.41 0.03 -1.29 0.00 0.00 177.43 176.73 2jnb h ARG 48 N 0.77 0.00 -4.21 6.67 2.47 -0.35 -3.48 114.38 116.25 2jnb h ARG 48 Ca 0.14 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.62 2jnb h ARG 48 Cb 0.52 0.00 0.10 0.00 -1.65 0.00 0.00 29.97 28.94 2jnb h ARG 48 CO 0.03 0.41 -0.46 0.41 0.56 0.00 0.00 179.97 180.92 2jnb n GLY 49 N 1.00 -0.04 0.19 0.04 0.00 -0.16 -4.94 105.19 101.29 2jnb n GLY 49 Ca 0.02 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.75 1.61 -2.99 -0.61 -6.64 -1.24 -4.99 119.36 100.75 2jnb n ILE 50 Ca -0.06 -2.00 -0.43 0.00 -1.77 0.00 0.00 62.75 58.49 2jnb n ILE 50 Cb 0.56 -0.12 -0.05 0.00 -1.44 0.00 0.00 39.64 38.59 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 -2.62 6.30 -0.18 7.28 0.15 -1.26 -4.11 113.70 119.26 2jnb s SER 51 Ca 0.28 -0.55 0.11 0.00 0.70 0.00 0.00 55.95 56.48 2jnb s SER 51 Cb 0.25 -2.37 -0.18 0.00 -1.71 0.00 0.00 66.02 62.01 2jnb s SER 51 CO 0.02 -1.04 -0.02 1.21 1.20 0.00 0.00 173.24 174.61 2jnb n GLU 52 N 6.82 1.06 -5.01 5.44 2.13 -1.26 -4.93 120.64 124.89 2jnb n GLU 52 Ca -0.02 0.03 -0.32 0.00 0.66 0.00 0.00 57.16 57.51 2jnb n GLU 52 Cb 0.47 -1.43 -0.14 0.00 0.27 0.00 0.00 31.44 30.61 2jnb n GLU 52 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2jnb s PHE 53 N -2.41 2.60 -0.03 4.31 0.08 -1.24 -4.97 117.98 116.32 2jnb s PHE 53 Ca -0.14 -0.32 -0.00 0.00 0.12 0.00 0.00 56.93 56.58 2jnb s PHE 53 Cb 0.06 -1.62 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 2jnb s PHE 53 CO 0.62 0.06 0.02 0.42 -0.10 0.00 0.00 175.22 176.24 2jnb s ILE 54 N -0.55 0.05 -0.04 0.64 1.01 -1.26 -2.55 121.20 118.51 2jnb s ILE 54 Ca 0.08 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2jnb s ILE 54 Cb -0.11 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.19 2jnb s ILE 54 CO 0.01 0.13 -0.05 -0.69 0.00 0.00 0.00 174.94 174.34 2jnb s VAL 55 N 1.17 0.52 -0.04 2.92 1.01 -1.24 -3.76 120.40 120.98 2jnb s VAL 55 Ca -0.08 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2jnb s VAL 55 Cb -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2jnb s VAL 55 CO -0.02 0.21 -0.12 0.00 0.00 0.00 0.00 175.10 175.16 2jnb s MET 56 N 0.76 1.41 -0.14 2.72 0.23 -1.26 -3.34 119.30 119.68 2jnb s MET 56 Ca -0.10 -0.43 -0.34 0.00 -1.03 0.00 0.00 55.69 53.79 2jnb s MET 56 Cb -0.13 -1.24 -0.11 0.00 -1.53 0.00 0.00 34.83 31.82 2jnb s MET 56 CO 0.00 0.13 1.95 0.00 -2.03 0.00 0.00 175.02 175.08 2jnb n ALA 57 N 3.39 0.96 0.23 3.16 0.00 -1.24 -3.93 120.51 123.08 2jnb n ALA 57 Ca -0.20 0.19 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2jnb n ALA 57 Cb 0.53 -2.54 0.85 0.00 0.00 0.00 0.00 19.45 18.29 2jnb n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jnb h ALA 58 N 10.17 1.73 -0.88 0.00 0.00 -1.48 -0.45 119.26 128.35 2jnb h ALA 58 Ca -0.45 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 2jnb h ALA 58 Cb 1.28 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.79 2jnb h ALA 58 CO 0.96 -0.20 0.50 -3.47 0.00 0.00 0.00 179.25 177.03 2jnb n ASP 59 N -3.84 5.24 -4.25 0.00 2.03 -1.26 -4.83 116.55 109.64 2jnb n ASP 59 Ca 0.00 -3.72 -0.22 0.00 0.52 0.00 0.00 54.79 51.37 2jnb n ASP 59 Cb 0.25 -0.82 -0.12 0.00 -0.72 0.00 0.00 41.12 39.71 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 -3.53 1.59 0.16 -1.67 0.00 -0.18 -5.06 121.76 113.06 2jnb s ALA 60 Ca 0.58 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 2jnb s ALA 60 Cb 0.47 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.44 2jnb s ALA 60 CO 0.04 0.30 0.51 -1.21 0.00 0.00 0.00 175.76 175.40 2jnb s GLU 61 N -1.83 1.23 0.64 0.00 2.02 -1.26 -4.34 118.70 115.17 2jnb s GLU 61 Ca 0.04 -0.65 -0.15 0.00 0.02 0.00 0.00 54.97 54.22 2jnb s GLU 61 Cb -0.10 0.53 -0.01 0.00 0.10 0.00 0.00 34.13 34.65 2jnb s GLU 61 CO 0.03 -0.52 1.11 -1.25 0.02 0.00 0.00 175.26 174.66 2jnb s PRO 62 N -3.80 2.87 -0.09 0.39 0.04 -1.26 -5.12 135.00 128.04 2jnb s PRO 62 Ca 0.04 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.52 2jnb s PRO 62 Cb -0.00 -1.96 -0.24 0.00 0.04 0.00 0.00 34.50 32.34 2jnb s PRO 62 CO -0.10 -1.20 0.50 -0.11 0.04 0.00 0.00 177.00 176.13 2jnb n LEU 63 N -2.29 1.68 -0.17 -3.56 -0.00 -1.26 -3.89 117.00 107.50 2jnb n LEU 63 Ca 0.10 0.30 -0.01 0.00 -0.00 0.00 0.00 56.01 56.41 2jnb n LEU 63 Cb 0.52 -0.42 0.08 0.00 -0.00 0.00 0.00 43.42 43.60 2jnb n LEU 63 CO 0.47 0.61 0.88 -0.08 -0.00 0.00 0.00 177.39 179.27 2jnb h GLU 64 N 0.03 0.18 -0.20 1.96 4.81 -1.98 0.43 114.58 119.82 2jnb h GLU 64 Ca -0.36 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2jnb h GLU 64 Cb 2.03 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 2jnb h GLU 64 CO 0.08 0.12 -0.15 0.82 -0.73 0.00 0.00 179.01 179.15 2jnb h ILE 65 N 0.19 1.21 0.00 2.32 2.04 -1.99 0.23 117.51 121.50 2jnb h ILE 65 Ca 0.28 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 2jnb h ILE 65 Cb 0.41 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2jnb h ILE 65 CO -0.40 0.30 -0.27 0.40 0.00 0.00 0.00 178.15 178.18 2jnb h ILE 66 N 0.30 0.69 0.00 -0.67 2.04 -1.10 -2.43 117.51 116.34 2jnb h ILE 66 Ca 0.06 -1.20 -0.21 0.00 1.00 0.00 0.00 64.86 64.51 2jnb h ILE 66 Cb 0.46 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 2jnb h ILE 66 CO 0.03 0.26 -1.86 0.18 0.00 0.00 0.00 178.15 176.76 2jnb n LEU 67 N -3.49 0.42 -0.08 1.44 4.77 -0.25 -4.28 117.00 115.53 2jnb n LEU 67 Ca -0.00 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 2jnb n LEU 67 Cb 0.43 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 2jnb n LEU 67 CO 0.34 0.25 0.45 -0.74 -1.33 0.00 0.00 177.39 176.35 2jnb h HIS 68 N 0.00 1.08 0.20 -1.77 2.76 -0.46 -3.30 115.15 113.66 2jnb h HIS 68 Ca -0.27 -0.38 0.01 0.00 -2.20 0.00 0.00 60.37 57.53 2jnb h HIS 68 Cb 1.71 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 30.43 2jnb h HIS 68 CO 0.00 1.21 -0.51 -0.07 -1.30 0.00 0.00 177.93 177.25 2jnb h LEU 69 N 0.64 -1.52 -8.46 0.26 3.38 -1.62 -3.36 115.31 104.63 2jnb h LEU 69 Ca 0.02 0.15 -0.48 0.00 0.09 0.00 0.00 57.88 57.66 2jnb h LEU 69 Cb 1.13 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 42.39 2jnb h LEU 69 CO 0.12 -0.58 1.30 -2.16 0.09 0.00 0.00 178.44 177.21 2jnb s PRO 70 N -5.81 2.61 0.64 1.13 0.04 -1.24 -4.81 135.00 127.56 2jnb s PRO 70 Ca -0.17 0.52 0.38 0.00 0.04 0.00 0.00 61.00 61.78 2jnb s PRO 70 Cb 0.06 -4.46 2.13 0.00 0.04 0.00 0.00 34.50 32.28 2jnb s PRO 70 CO 0.61 -2.80 2.27 1.25 0.04 0.00 0.00 177.00 178.37 2jnb h LEU 71 N 16.60 0.00 -1.12 -3.56 6.46 -1.83 0.24 115.31 132.10 2jnb h LEU 71 Ca -0.22 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2jnb h LEU 71 Cb 1.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2jnb h LEU 71 CO 1.22 0.00 0.00 0.18 -0.62 0.00 0.00 178.44 179.22 2jnb n LEU 72 N -3.31 1.63 0.00 2.25 4.77 -1.26 -4.27 117.00 116.81 2jnb n LEU 72 Ca -0.02 -0.82 -0.20 0.00 -0.03 0.00 0.00 56.01 54.94 2jnb n LEU 72 Cb 0.13 -0.21 0.19 0.00 -2.33 0.00 0.00 43.42 41.21 2jnb n LEU 72 CO 0.22 0.40 0.23 0.00 -1.33 0.00 0.00 177.39 176.91 2jnb h GLU 74 N 0.00 0.01 -0.51 0.00 3.07 -1.88 0.25 114.58 115.52 2jnb h GLU 74 Ca -0.26 -0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.70 2jnb h GLU 74 Cb 0.88 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 2jnb h GLU 74 CO 0.16 0.01 0.35 0.22 -1.40 0.00 0.00 179.01 178.34 2jnb h ASP 75 N 0.01 0.22 -0.52 1.42 3.58 -1.89 0.26 116.42 119.50 2jnb h ASP 75 Ca 0.41 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.87 2jnb h ASP 75 Cb 1.63 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.64 2jnb h ASP 75 CO -0.01 0.13 0.00 1.17 -2.88 0.00 0.00 179.24 177.65 2jnb n LYS 76 N -4.45 3.73 -2.62 0.28 4.81 0.87 -4.96 118.16 115.82 2jnb n LYS 76 Ca 0.08 -2.51 -0.05 0.00 -0.87 0.00 0.00 58.31 54.96 2jnb n LYS 76 Cb 0.41 -1.95 0.01 0.00 0.02 0.00 0.00 35.03 33.52 2jnb n LYS 76 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2jnb n ASN 77 N 0.76 -6.79 -3.72 3.14 2.85 0.93 -4.96 115.26 107.47 2jnb n ASN 77 Ca 0.22 0.35 -0.12 0.00 -0.11 0.00 0.00 54.58 54.93 2jnb n ASN 77 Cb 0.89 -4.54 -0.11 0.00 1.24 0.00 0.00 39.78 37.26 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 -2.42 -0.02 0.21 3.44 1.01 -1.25 -4.99 120.40 116.38 2jnb s VAL 78 Ca 0.17 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2jnb s VAL 78 Cb -0.05 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.72 2jnb s VAL 78 CO 0.62 0.03 1.30 -2.16 0.00 0.00 0.00 175.10 174.88 2jnb s PRO 79 N 0.96 4.40 0.35 2.72 0.04 -1.26 -4.15 135.00 138.06 2jnb s PRO 79 Ca -0.06 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2jnb s PRO 79 Cb -0.07 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2jnb s PRO 79 CO -0.07 -0.23 0.12 2.48 0.04 0.00 0.00 177.00 179.34 2jnb n TYR 80 N 2.47 0.16 -3.71 0.56 4.11 -1.26 -4.78 117.16 114.71 2jnb n TYR 80 Ca 0.05 -2.22 -0.13 0.00 -0.00 0.00 0.00 57.90 55.60 2jnb n TYR 80 Cb 0.43 -0.02 -0.09 0.00 -0.00 0.00 0.00 39.34 39.66 2jnb n TYR 80 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2jnb s VAL 81 N -2.84 0.00 0.25 -3.48 0.11 -1.25 -4.90 120.40 108.29 2jnb s VAL 81 Ca 0.17 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 2jnb s VAL 81 Cb 0.01 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2jnb s VAL 81 CO 0.12 -0.00 0.25 -0.36 -3.33 0.00 0.00 175.10 171.77 2jnb s PHE 82 N 0.22 3.22 0.00 1.54 0.08 -1.22 -4.13 117.98 117.69 2jnb s PHE 82 Ca -0.00 -0.08 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 2jnb s PHE 82 Cb -0.03 -1.46 -0.00 0.00 -0.57 0.00 0.00 43.02 40.96 2jnb s PHE 82 CO 0.01 0.50 -0.00 0.14 -0.10 0.00 0.00 175.22 175.76 2jnb s VAL 83 N -2.08 0.02 -0.94 -0.44 -7.23 -1.25 -4.17 120.40 104.31 2jnb s VAL 83 Ca 0.33 -0.17 -0.02 0.00 -1.81 0.00 0.00 61.98 60.32 2jnb s VAL 83 Cb -0.08 -0.06 0.32 0.00 0.56 0.00 0.00 36.38 37.12 2jnb s VAL 83 CO 0.26 -0.09 1.96 -1.14 -0.31 0.00 0.00 175.10 175.78 2jnb n ARG 84 N 2.81 4.16 -3.31 4.82 0.00 -1.26 -1.11 116.66 122.77 2jnb n ARG 84 Ca -0.14 -4.06 0.03 0.00 -0.00 0.00 0.00 57.85 53.67 2jnb n ARG 84 Cb 0.59 -2.38 -0.03 0.00 0.00 0.00 0.00 32.46 30.65 2jnb n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jnb s SER 85 N -1.13 -0.86 -0.12 6.15 0.15 -1.26 -5.04 113.70 111.59 2jnb s SER 85 Ca 0.46 0.82 0.15 0.00 0.70 0.00 0.00 55.95 58.07 2jnb s SER 85 Cb 0.30 1.83 -0.24 0.00 -1.71 0.00 0.00 66.02 66.21 2jnb s SER 85 CO -0.26 -0.16 0.35 2.29 1.20 0.00 0.00 173.24 176.66 2jnb n LYS 86 N 5.30 0.66 -0.03 5.44 2.85 -1.26 -3.99 118.16 127.13 2jnb n LYS 86 Ca -0.07 0.15 -0.13 0.00 -1.05 0.00 0.00 58.31 57.20 2jnb n LYS 86 Cb 0.52 -1.65 -0.09 0.00 -0.65 0.00 0.00 35.03 33.15 2jnb n LYS 86 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2jnb h GLN 87 N 0.00 0.11 -0.67 -1.58 4.20 -1.96 -3.13 115.11 112.08 2jnb h GLN 87 Ca -0.42 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.32 2jnb h GLN 87 Cb 2.13 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.84 2jnb h GLN 87 CO 0.05 0.61 0.31 0.00 -0.67 0.00 0.00 178.83 179.13 2jnb h ALA 88 N 0.50 0.91 -0.27 3.87 0.00 -1.99 0.70 119.26 122.98 2jnb h ALA 88 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jnb h ALA 88 Cb 0.60 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2jnb h ALA 88 CO 0.01 -0.10 -0.14 1.25 0.00 0.00 0.00 179.25 180.28 2jnb h LEU 89 N 0.54 -0.47 -0.29 0.00 5.85 -1.69 0.06 115.31 119.31 2jnb h LEU 89 Ca 0.33 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 59.10 2jnb h LEU 89 Cb 0.37 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2jnb h LEU 89 CO -0.28 -0.18 -0.09 1.23 -0.34 0.00 0.00 178.44 178.79 2jnb h GLY 90 N -0.11 0.62 0.42 3.75 0.00 -1.34 -2.92 103.07 103.49 2jnb h GLY 90 Ca 0.14 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 46.98 2jnb h GLY 90 CO -0.34 0.48 -0.27 3.21 0.00 0.00 0.00 176.54 179.62 2jnb h ARG 91 N 0.33 -0.41 -0.94 4.80 3.08 -0.47 0.26 114.38 121.02 2jnb h ARG 91 Ca 0.07 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.30 2jnb h ARG 91 Cb 0.58 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 2jnb h ARG 91 CO 0.03 -0.28 0.55 0.00 -1.07 0.00 0.00 179.97 179.21 2jnb h ALA 92 N 0.35 1.48 -0.11 0.04 0.00 -1.03 0.17 119.26 120.17 2jnb h ALA 92 Ca 0.06 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2jnb h ALA 92 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jnb h ALA 92 CO -0.22 0.01 -0.57 0.00 0.00 0.00 0.00 179.25 178.47 2jnb n GLY 94 N 0.22 0.83 3.45 0.00 0.00 0.83 -5.08 105.19 105.45 2jnb n GLY 94 Ca -0.03 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.11 0.97 -0.07 1.61 -7.23 -1.03 -5.03 120.40 107.50 2jnb s VAL 95 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2jnb s VAL 95 Cb 0.00 -2.66 -0.25 0.00 0.56 0.00 0.00 36.38 34.04 2jnb s VAL 95 CO 0.00 0.00 0.54 -1.54 -0.31 0.00 0.00 175.10 173.79 2jnb n SER 96 N -0.82 1.45 -4.66 4.85 3.41 -1.26 -4.67 113.62 111.91 2jnb n SER 96 Ca -0.03 0.33 -0.23 0.00 -0.26 0.00 0.00 58.87 58.68 2jnb n SER 96 Cb 0.66 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2jnb n SER 96 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2jnb s ARG 97 N -2.58 2.34 1.25 4.33 0.52 -1.26 -5.08 118.95 118.47 2jnb s ARG 97 Ca -0.12 -1.41 -0.21 0.00 -0.52 0.00 0.00 55.73 53.47 2jnb s ARG 97 Cb 0.07 -2.19 0.31 0.00 0.52 0.00 0.00 34.95 33.67 2jnb s ARG 97 CO 0.80 0.34 1.11 -1.25 0.02 0.00 0.00 175.30 176.33 2jnb s PRO 98 N -3.70 -1.61 -0.01 3.54 0.04 -1.26 -4.77 135.00 127.23 2jnb s PRO 98 Ca 0.32 -0.20 0.03 0.00 0.04 0.00 0.00 61.00 61.18 2jnb s PRO 98 Cb -0.06 -1.56 -0.00 0.00 0.04 0.00 0.00 34.50 32.91 2jnb s PRO 98 CO 0.20 -3.94 -0.09 0.08 0.04 0.00 0.00 177.00 173.29 2jnb s VAL 99 N -3.02 0.76 -0.23 -0.36 1.01 -1.26 -4.95 120.40 112.36 2jnb s VAL 99 Ca 0.72 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2jnb s VAL 99 Cb -0.07 -0.65 -0.20 0.00 0.00 0.00 0.00 36.38 35.45 2jnb s VAL 99 CO 0.56 0.22 -0.08 -0.38 0.00 0.00 0.00 175.10 175.42 2jnb n ILE 100 N 2.98 1.46 -3.87 2.22 5.41 -1.26 -4.66 119.36 121.65 2jnb n ILE 100 Ca -0.15 -0.69 -0.24 0.00 1.00 0.00 0.00 62.75 62.68 2jnb n ILE 100 Cb 0.56 -1.06 -0.17 0.00 -0.71 0.00 0.00 39.64 38.26 2jnb n ILE 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jnb s ALA 101 N -2.51 0.86 0.26 -1.39 0.00 -1.26 -3.72 121.76 114.00 2jnb s ALA 101 Ca -0.24 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2jnb s ALA 101 Cb 0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2jnb s ALA 101 CO 0.70 -0.38 0.14 0.00 0.00 0.00 0.00 175.76 176.22 2jnb s SER 103 N -3.29 -0.24 -0.24 0.00 0.01 -0.14 -3.64 113.70 106.16 2jnb s SER 103 Ca 0.38 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 57.15 2jnb s SER 103 Cb 0.06 0.57 0.06 0.00 0.21 0.00 0.00 66.02 66.92 2jnb s SER 103 CO 0.15 -1.04 -0.05 -0.69 0.41 0.00 0.00 173.24 172.02 2jnb s VAL 104 N -3.88 1.58 -0.18 3.43 1.01 -1.06 -3.03 120.40 118.28 2jnb s VAL 104 Ca 0.10 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 2jnb s VAL 104 Cb -0.01 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2jnb s VAL 104 CO -0.03 -0.13 0.87 0.42 0.00 0.00 0.00 175.10 176.23 2jnb s THR 105 N 1.37 4.84 0.07 3.92 -4.23 -1.26 -3.69 115.64 116.66 2jnb s THR 105 Ca -0.05 1.71 -0.15 0.00 -1.18 0.00 0.00 61.69 62.02 2jnb s THR 105 Cb -0.19 -4.17 -0.06 0.00 1.34 0.00 0.00 72.50 69.42 2jnb s THR 105 CO -0.07 -0.01 0.48 -0.51 -0.54 0.00 0.00 174.62 173.97 2jnb s ILE 106 N 2.36 4.92 -0.45 2.99 2.07 -1.26 -4.89 121.20 126.94 2jnb s ILE 106 Ca 0.39 0.88 -0.03 0.00 -1.41 0.00 0.00 60.65 60.48 2jnb s ILE 106 Cb -0.16 -3.76 0.12 0.00 0.13 0.00 0.00 42.46 38.79 2jnb s ILE 106 CO 0.11 0.45 0.25 -0.75 -1.91 0.00 0.00 174.94 173.09 2jnb s LYS 107 N -1.42 2.11 -0.21 3.50 2.20 -1.26 -5.06 119.74 119.60 2jnb s LYS 107 Ca 0.30 -1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 53.65 2jnb s LYS 107 Cb -0.17 -3.61 -0.07 0.00 -1.51 0.00 0.00 37.83 32.47 2jnb s LYS 107 CO 0.17 -1.09 2.17 -1.91 -0.36 0.00 0.00 175.35 174.32 2jnb n GLU 108 N 4.38 1.89 0.00 4.03 0.00 -1.26 -1.99 120.64 127.70 2jnb n GLU 108 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.71 2jnb n GLU 108 Cb 0.41 -3.01 0.00 0.00 0.00 0.00 0.00 31.44 28.84 2jnb n GLU 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jnb n GLY 109 N 5.70 1.50 3.93 8.31 0.00 -1.26 -5.13 105.19 118.24 2jnb n GLY 109 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 2jnb n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jnb s SER 110 N -0.84 6.18 0.44 1.61 0.01 -0.84 -4.99 113.70 115.28 2jnb s SER 110 Ca 0.00 0.64 0.21 0.00 1.31 0.00 0.00 55.95 58.11 2jnb s SER 110 Cb 0.00 -2.04 1.04 0.00 0.21 0.00 0.00 66.02 65.23 2jnb s SER 110 CO 0.00 -0.51 1.92 1.56 0.41 0.00 0.00 173.24 176.62 2jnb h GLN 111 N 0.43 0.00 0.00 12.44 4.20 -2.00 -2.40 115.11 127.78 2jnb h GLN 111 Ca -0.48 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.15 2jnb h GLN 111 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2jnb h GLN 111 CO 0.61 0.25 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.56 2jnb h LEU 112 N 0.00 0.00 0.07 1.46 3.38 -1.94 -3.26 115.31 115.02 2jnb h LEU 112 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jnb h LEU 112 Cb 0.56 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2jnb h LEU 112 CO 0.03 0.39 -0.44 0.50 0.09 0.00 0.00 178.44 179.01 2jnb h LYS 113 N 0.00 -0.62 -0.48 1.13 3.11 -1.66 0.19 116.57 118.24 2jnb h LYS 113 Ca -0.00 0.04 0.05 0.00 -2.81 0.00 0.00 60.65 57.93 2jnb h LYS 113 Cb 0.89 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.24 2jnb h LYS 113 CO 0.05 -0.41 0.32 -0.56 -2.81 0.00 0.00 179.45 176.04 2jnb h GLN 114 N -0.64 0.42 0.34 1.90 3.07 -1.71 -2.31 115.11 116.18 2jnb h GLN 114 Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2jnb h GLN 114 Cb 0.69 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.15 2jnb h GLN 114 CO -0.28 0.28 -0.16 1.96 0.09 0.00 0.00 178.83 180.71 2jnb h GLN 115 N 0.44 -0.44 -0.79 0.06 1.08 -1.24 -1.63 115.11 112.58 2jnb h GLN 115 Ca 0.20 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.62 2jnb h GLN 115 Cb 0.26 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.74 2jnb h GLN 115 CO -0.05 -0.13 0.53 0.82 -0.95 0.00 0.00 178.83 179.05 2jnb h ILE 116 N -0.77 0.72 -0.07 2.54 2.04 -0.35 0.92 117.51 122.53 2jnb h ILE 116 Ca -0.05 -0.10 -0.20 0.00 1.00 0.00 0.00 64.86 65.52 2jnb h ILE 116 Cb 0.51 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2jnb h ILE 116 CO 0.08 0.05 -0.78 -0.61 0.00 0.00 0.00 178.15 176.89 2jnb h GLN 117 N 0.29 0.44 -0.51 2.37 4.15 -1.29 -2.36 115.11 118.20 2jnb h GLN 117 Ca 0.39 -0.38 0.03 0.00 0.77 0.00 0.00 58.65 59.46 2jnb h GLN 117 Cb 1.09 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 2jnb h GLN 117 CO -0.10 1.03 0.29 0.77 -1.93 0.00 0.00 178.83 178.88 2jnb h SER 118 N 0.29 0.46 0.73 -0.69 0.02 0.18 -2.15 113.55 112.39 2jnb h SER 118 Ca -0.04 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.76 2jnb h SER 118 Cb 1.38 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2jnb h SER 118 CO 0.14 0.33 -0.73 -0.29 -1.14 0.00 0.00 176.83 175.13 2jnb h ILE 119 N 0.58 1.53 -0.72 3.27 2.10 -1.51 -3.17 117.51 119.59 2jnb h ILE 119 Ca 0.21 -2.50 0.04 0.00 1.08 0.00 0.00 64.86 63.69 2jnb h ILE 119 Cb 0.05 2.35 -0.04 0.00 -1.09 0.00 0.00 36.82 38.08 2jnb h ILE 119 CO -0.11 0.72 0.48 -0.61 -1.08 0.00 0.00 178.15 177.55 2jnb h GLN 120 N 0.00 0.82 -0.39 2.19 4.15 -0.84 -1.61 115.11 119.43 2jnb h GLN 120 Ca -0.01 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 2jnb h GLN 120 Cb 1.29 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.78 2jnb h GLN 120 CO 0.09 0.54 -0.15 0.37 -1.93 0.00 0.00 178.83 177.76 2jnb h GLN 121 N 0.85 0.73 -0.62 1.69 4.15 -1.43 -2.68 115.11 117.79 2jnb h GLN 121 Ca 0.29 -0.25 0.18 0.00 0.77 0.00 0.00 58.65 59.64 2jnb h GLN 121 Cb 0.11 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2jnb h GLN 121 CO -0.09 0.84 0.46 1.03 -1.93 0.00 0.00 178.83 179.15 2jnb h SER 122 N 0.65 0.00 -0.12 -0.69 0.87 -1.37 0.84 113.55 113.74 2jnb h SER 122 Ca 0.11 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 2jnb h SER 122 Cb 0.63 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2jnb h SER 122 CO 0.04 0.00 -0.60 0.40 -0.53 0.00 0.00 176.83 176.14 2jnb h ILE 123 N 0.00 1.30 -0.65 2.23 2.04 -1.48 -3.04 117.51 117.90 2jnb h ILE 123 Ca 0.30 -1.82 0.12 0.00 1.00 0.00 0.00 64.86 64.45 2jnb h ILE 123 Cb 1.22 1.77 -0.09 0.00 -0.74 0.00 0.00 36.82 38.98 2jnb h ILE 123 CO -0.00 0.58 0.20 -0.08 0.00 0.00 0.00 178.15 178.85 2jnb h GLU 124 N 0.54 0.34 0.00 2.37 4.81 -0.89 0.29 114.58 122.04 2jnb h GLU 124 Ca -0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2jnb h GLU 124 Cb 1.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2jnb h GLU 124 CO 0.12 0.22 -0.32 0.00 -0.73 0.00 0.00 179.01 178.31 2jnb h ARG 125 N 0.35 0.00 0.02 1.92 2.47 -1.54 -2.73 114.38 114.87 2jnb h ARG 125 Ca 0.34 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.81 2jnb h ARG 125 Cb 0.50 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.84 2jnb h ARG 125 CO -0.38 0.32 -1.02 1.25 0.56 0.00 0.00 179.97 180.69 2jnb h LEU 126 N 0.00 0.86 0.78 3.04 5.85 -0.60 -3.34 115.31 121.90 2jnb h LEU 126 Ca -0.00 -0.76 -0.04 0.00 0.84 0.00 0.00 57.88 57.92 2jnb h LEU 126 Cb 0.70 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.48 2jnb h LEU 126 CO 0.04 1.51 -0.38 -0.07 -0.34 0.00 0.00 178.44 179.20 2jnb h LEU 127 N 0.30 -0.89 -0.35 2.25 -0.00 -0.44 -3.49 115.31 112.69 2jnb h LEU 127 Ca -0.13 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2jnb h LEU 127 Cb 1.69 0.23 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 2jnb h LEU 127 CO 0.20 -0.58 0.00 1.33 -0.00 0.00 0.00 178.44 179.39