#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 -0.98 -0.27 2.03 -1.32 -1.26 -5.04 115.64 108.80 2jnb s THR 2 Ca 0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 2jnb s THR 2 Cb 0.00 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.49 2jnb s THR 2 CO 0.00 0.00 1.14 -0.62 -2.21 0.00 0.00 174.62 172.93 2jnb n GLU 3 N 5.43 1.65 -0.29 7.08 1.02 -1.26 -5.14 120.64 129.13 2jnb n GLU 3 Ca -0.04 -3.27 0.04 0.00 -0.02 0.00 0.00 57.16 53.87 2jnb n GLU 3 Cb 0.51 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 2jnb n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jnb n ALA 4 N -0.65 -0.91 -3.39 0.62 0.00 -1.26 -4.66 120.51 110.25 2jnb n ALA 4 Ca 0.05 0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 2jnb n ALA 4 Cb 0.81 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 2jnb n ALA 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jnb n ASP 5 N -3.58 0.33 -4.51 0.00 8.00 -1.26 -5.11 116.55 110.41 2jnb n ASP 5 Ca 0.00 -2.62 -0.26 0.00 0.71 0.00 0.00 54.79 52.62 2jnb n ASP 5 Cb 0.13 -0.61 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 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 -0.62 1.39 0.90 2.53 -7.23 -1.26 -5.13 120.40 110.99 2jnb s VAL 6 Ca 0.33 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.36 2jnb s VAL 6 Cb 0.08 -2.71 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2jnb s VAL 6 CO -0.16 0.00 0.38 -0.46 -0.31 0.00 0.00 175.10 174.55 2jnb n ASN 7 N -0.95 -2.06 -4.42 4.85 0.23 -1.26 -4.76 115.26 106.88 2jnb n ASN 7 Ca -0.06 0.38 -0.31 0.00 -0.53 0.00 0.00 54.58 54.06 2jnb n ASN 7 Cb 0.67 -1.19 -0.06 0.00 -2.08 0.00 0.00 39.78 37.11 2jnb n ASN 7 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2jnb n PRO 8 N -1.30 1.57 0.28 -0.53 -0.04 -1.26 -4.71 135.00 129.01 2jnb n PRO 8 Ca 0.07 -2.36 0.15 0.00 -0.04 0.00 0.00 63.50 61.32 2jnb n PRO 8 Cb 0.53 -3.60 0.79 0.00 -0.04 0.00 0.00 33.50 31.18 2jnb n PRO 8 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jnb h LYS 9 N 9.42 0.00 0.00 0.54 1.57 -1.89 -3.35 116.57 122.86 2jnb h LYS 9 Ca 0.25 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.83 2jnb h LYS 9 Cb 0.89 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.06 2jnb h LYS 9 CO 1.34 0.08 -0.34 0.00 -0.57 0.00 0.00 179.45 179.96 2jnb n ALA 10 N -2.21 -1.49 -3.17 3.86 0.00 -1.26 -4.48 120.51 111.76 2jnb n ALA 10 Ca -0.02 -1.20 0.03 0.00 0.00 0.00 0.00 53.44 52.25 2jnb n ALA 10 Cb 0.23 -1.65 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 2jnb n ALA 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jnb s TYR 11 N 0.32 -1.83 1.04 0.00 6.14 -1.26 -3.77 117.35 117.99 2jnb s TYR 11 Ca 0.24 0.86 -0.13 0.00 0.64 0.00 0.00 57.07 58.68 2jnb s TYR 11 Cb 0.27 0.32 0.21 0.00 0.42 0.00 0.00 41.96 43.18 2jnb s TYR 11 CO -0.12 -1.11 1.09 -1.25 0.64 0.00 0.00 175.55 174.80 2jnb s PRO 12 N 2.57 0.09 -0.25 4.97 0.04 -1.26 -4.86 135.00 136.30 2jnb s PRO 12 Ca 0.12 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2jnb s PRO 12 Cb -0.08 -1.71 0.07 0.00 0.04 0.00 0.00 34.50 32.82 2jnb s PRO 12 CO -0.21 -2.93 -0.00 -1.17 0.04 0.00 0.00 177.00 172.72 2jnb s LEU 13 N -6.56 2.50 -0.07 -3.56 2.96 -1.25 -4.51 118.68 108.20 2jnb s LEU 13 Ca 0.66 -1.30 -0.33 0.00 -0.22 0.00 0.00 54.13 52.95 2jnb s LEU 13 Cb -0.18 -1.07 -0.10 0.00 0.50 0.00 0.00 46.19 45.34 2jnb s LEU 13 CO 0.58 -0.29 1.94 0.00 -1.32 0.00 0.00 176.35 177.26 2jnb n ALA 14 N 4.72 1.16 -1.22 5.97 0.00 0.99 -4.95 120.51 127.17 2jnb n ALA 14 Ca -0.08 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 2jnb n ALA 14 Cb 0.44 -2.58 0.17 0.00 0.00 0.00 0.00 19.45 17.47 2jnb n ALA 14 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jnb s ASP 15 N 4.58 2.83 0.34 0.00 -4.77 -1.26 -4.30 116.67 114.08 2jnb s ASP 15 Ca 0.93 1.20 0.03 0.00 -3.30 0.00 0.00 52.55 51.41 2jnb s ASP 15 Cb -0.60 -1.86 0.60 0.00 -1.09 0.00 0.00 42.92 39.97 2jnb s ASP 15 CO 0.48 -3.01 1.91 0.00 0.70 0.00 0.00 175.17 175.25 2jnb h ALA 16 N -1.81 1.40 -0.80 2.11 0.00 -1.97 -2.07 119.26 116.13 2jnb h ALA 16 Ca -0.53 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.41 2jnb h ALA 16 Cb 1.32 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 2jnb h ALA 16 CO 0.58 0.44 0.55 1.25 0.00 0.00 0.00 179.25 182.06 2jnb h HIS 17 N 0.62 0.34 0.02 0.00 6.17 -2.00 0.25 115.15 120.55 2jnb h HIS 17 Ca 0.14 0.01 -0.19 0.00 0.71 0.00 0.00 60.37 61.04 2jnb h HIS 17 Cb 0.21 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.02 2jnb h HIS 17 CO 0.01 0.10 -1.05 1.25 0.71 0.00 0.00 177.93 178.95 2jnb h LEU 18 N 0.27 0.06 -1.34 0.26 6.46 -1.77 -3.36 115.31 115.89 2jnb h LEU 18 Ca 0.40 -0.67 0.12 0.00 -0.12 0.00 0.00 57.88 57.62 2jnb h LEU 18 Cb 1.17 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 2jnb h LEU 18 CO -0.10 1.42 0.54 0.74 -0.62 0.00 0.00 178.44 180.42 2jnb h THR 19 N -0.88 0.88 0.04 1.05 2.02 -0.89 0.20 112.91 115.34 2jnb h THR 19 Ca -0.28 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.69 2jnb h THR 19 Cb 1.32 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2jnb h THR 19 CO -0.13 0.13 -0.27 0.50 0.37 0.00 0.00 175.52 176.12 2jnb h LYS 20 N 0.69 -0.42 -0.04 6.66 3.64 -0.67 -1.17 116.57 125.26 2jnb h LYS 20 Ca 0.40 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.65 2jnb h LYS 20 Cb 0.60 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jnb h LYS 20 CO -0.17 -0.28 -0.70 1.57 -2.27 0.00 0.00 179.45 177.59 2jnb h LYS 21 N -0.44 0.19 -0.96 1.90 2.10 -1.55 -3.17 116.57 114.64 2jnb h LYS 21 Ca 0.05 -0.16 0.09 0.00 -2.00 0.00 0.00 60.65 58.63 2jnb h LYS 21 Cb 0.50 0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 31.80 2jnb h LYS 21 CO -0.21 0.82 0.62 1.25 -2.00 0.00 0.00 179.45 179.93 2jnb h LEU 22 N 0.13 0.94 -1.37 7.07 6.46 -0.14 -0.94 115.31 127.46 2jnb h LEU 22 Ca -0.02 0.02 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 2jnb h LEU 22 Cb 1.25 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.94 2jnb h LEU 22 CO 0.11 0.57 0.55 -0.07 -0.62 0.00 0.00 178.44 178.97 2jnb h LEU 23 N 1.05 0.59 -1.10 2.25 4.07 -1.19 0.19 115.31 121.15 2jnb h LEU 23 Ca 0.44 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.35 2jnb h LEU 23 Cb 0.30 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2jnb h LEU 23 CO -0.19 0.31 -0.38 -0.78 -1.08 0.00 0.00 178.44 176.31 2jnb h ASP 24 N 0.63 0.00 -0.68 -0.43 1.82 -1.32 -3.07 116.42 113.37 2jnb h ASP 24 Ca 0.42 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 57.08 2jnb h ASP 24 Cb 0.71 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.68 2jnb h ASP 24 CO -0.17 0.38 0.44 0.25 -1.61 0.00 0.00 179.24 178.53 2jnb h LEU 25 N 0.00 0.73 -0.41 2.28 7.12 -0.50 -2.68 115.31 121.86 2jnb h LEU 25 Ca -0.00 -0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.08 2jnb h LEU 25 Cb 0.80 -0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.70 2jnb h LEU 25 CO 0.05 0.52 -0.03 0.58 -0.13 0.00 0.00 178.44 179.43 2jnb h VAL 26 N 0.87 0.66 -0.54 1.05 2.07 -1.48 0.62 116.25 119.49 2jnb h VAL 26 Ca 0.26 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.91 2jnb h VAL 26 Cb -0.03 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2jnb h VAL 26 CO -0.08 0.01 0.39 -0.61 0.02 0.00 0.00 177.57 177.30 2jnb h GLN 27 N 0.07 0.05 -0.01 1.57 4.15 -1.59 0.14 115.11 119.49 2jnb h GLN 27 Ca 0.20 -0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.45 2jnb h GLN 27 Cb 0.29 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2jnb h GLN 27 CO -0.36 0.03 -0.77 1.96 -1.93 0.00 0.00 178.83 177.76 2jnb h GLN 28 N 0.05 0.12 0.10 1.69 1.08 -0.79 -2.52 115.11 114.85 2jnb h GLN 28 Ca 0.26 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2jnb h GLN 28 Cb 0.96 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2jnb h GLN 28 CO -0.02 0.83 -0.05 1.03 -0.95 0.00 0.00 178.83 179.68 2jnb h SER 29 N 0.07 -0.12 0.27 1.46 0.87 -0.07 -3.11 113.55 112.93 2jnb h SER 29 Ca -0.02 -0.37 -0.03 0.00 -1.23 0.00 0.00 61.79 60.13 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 0.33 -0.16 0.00 -0.53 0.00 0.00 176.83 176.59 2jnb h ASN 31 N 0.00 0.48 -0.68 0.00 -0.73 -1.37 0.11 115.58 113.38 2jnb h ASN 31 Ca -0.00 0.01 -0.27 0.00 1.87 0.00 0.00 56.30 57.92 2jnb h ASN 31 Cb 0.33 -0.09 -0.16 0.00 0.27 0.00 0.00 38.32 38.68 2jnb h ASN 31 CO 0.02 0.28 0.34 0.00 -0.37 0.00 0.00 177.43 177.70 2jnb n TYR 32 N -4.48 2.20 -2.90 0.67 4.19 -0.93 -4.87 117.16 111.04 2jnb n TYR 32 Ca 0.12 -1.22 -0.21 0.00 3.31 0.00 0.00 57.90 59.89 2jnb n TYR 32 Cb 0.38 -0.68 0.01 0.00 0.49 0.00 0.00 39.34 39.54 2jnb n TYR 32 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2jnb n LYS 33 N -0.34 -3.72 -4.54 2.98 5.02 0.37 -4.97 118.16 112.97 2jnb n LYS 33 Ca 0.39 0.81 -0.23 0.00 -2.02 0.00 0.00 58.31 57.27 2jnb n LYS 33 Cb 1.30 -5.58 -0.16 0.00 -0.02 0.00 0.00 35.03 30.56 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 -5.56 1.31 0.10 1.97 -0.21 -0.96 -5.01 119.66 111.30 2jnb s GLN 34 Ca 0.23 -0.40 -0.27 0.00 0.02 0.00 0.00 55.36 54.94 2jnb s GLN 34 Cb -0.11 -1.16 0.08 0.00 1.00 0.00 0.00 33.01 32.82 2jnb s GLN 34 CO 0.28 0.13 1.05 -0.51 -2.12 0.00 0.00 175.29 174.12 2jnb s LEU 35 N 0.25 -0.15 -0.30 2.90 1.43 -1.26 -1.85 118.68 119.70 2jnb s LEU 35 Ca -0.05 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 2jnb s LEU 35 Cb -0.11 1.95 0.17 0.00 0.03 0.00 0.00 46.19 48.23 2jnb s LEU 35 CO 0.01 -0.74 0.99 -0.60 0.23 0.00 0.00 176.35 176.25 2jnb s ARG 36 N -3.05 0.28 -0.51 1.70 6.06 -1.20 -4.94 118.95 117.28 2jnb s ARG 36 Ca 0.13 0.66 0.04 0.00 -2.50 0.00 0.00 55.73 54.05 2jnb s ARG 36 Cb 0.00 0.39 0.16 0.00 0.06 0.00 0.00 34.95 35.57 2jnb s ARG 36 CO 0.00 -0.14 0.37 0.15 -2.50 0.00 0.00 175.30 173.18 2jnb s LYS 37 N 2.55 1.48 -0.29 5.12 3.01 -1.26 -0.17 119.74 130.18 2jnb s LYS 37 Ca -0.01 -2.48 -0.18 0.00 -1.01 0.00 0.00 55.97 52.29 2jnb s LYS 37 Cb -0.07 -2.24 0.17 0.00 -1.01 0.00 0.00 37.83 34.67 2jnb s LYS 37 CO -0.17 -1.31 1.12 0.20 0.51 0.00 0.00 175.35 175.71 2jnb s GLY 38 N -0.37 0.22 -0.09 -3.33 0.00 -0.37 -4.94 107.32 98.44 2jnb s GLY 38 Ca 0.27 3.34 -0.06 0.00 0.00 0.00 0.00 44.72 48.27 2jnb s GLY 38 CO -0.15 2.48 0.21 0.00 0.00 0.00 0.00 173.10 175.64 2jnb h ALA 39 N 5.23 -0.09 -0.93 3.20 0.00 -1.92 -2.91 119.26 121.85 2jnb h ALA 39 Ca -0.27 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.65 2jnb h ALA 39 Cb 1.18 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2jnb h ALA 39 CO 0.20 -0.09 0.60 -0.97 0.00 0.00 0.00 179.25 178.99 2jnb h ASN 40 N -1.01 0.86 0.46 0.00 -1.24 -1.93 0.38 115.58 113.10 2jnb h ASN 40 Ca -0.01 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.96 2jnb h ASN 40 Cb 0.18 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 2jnb h ASN 40 CO 0.01 0.51 -0.29 -0.33 -1.29 0.00 0.00 177.43 176.05 2jnb h GLU 41 N 0.95 0.00 -0.82 6.67 5.08 -1.97 -2.77 114.58 121.72 2jnb h GLU 41 Ca 0.43 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 59.03 2jnb h GLU 41 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2jnb h GLU 41 CO -0.19 0.29 0.59 0.00 -1.00 0.00 0.00 179.01 178.70 2jnb h ALA 42 N 1.71 2.77 -0.69 3.43 0.00 -0.70 0.11 119.26 125.89 2jnb h ALA 42 Ca -0.00 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2jnb h ALA 42 Cb 0.59 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jnb h ALA 42 CO 0.04 -1.02 0.53 1.79 0.00 0.00 0.00 179.25 180.59 2jnb h THR 43 N 0.00 0.57 0.00 0.00 1.35 -1.58 -0.87 112.91 112.38 2jnb h THR 43 Ca 0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2jnb h THR 43 Cb 1.57 0.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2jnb h THR 43 CO -0.00 0.00 -0.01 0.11 -0.25 0.00 0.00 175.52 175.37 2jnb h LYS 44 N 0.00 0.00 -0.47 4.72 1.79 -1.01 -3.24 116.57 118.35 2jnb h LYS 44 Ca 0.33 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.89 2jnb h LYS 44 Cb 1.39 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.96 2jnb h LYS 44 CO -0.00 0.81 -0.02 1.79 -1.08 0.00 0.00 179.45 180.95 2jnb h THR 45 N -1.00 0.61 -0.98 -0.16 1.35 -1.37 -0.16 112.91 111.19 2jnb h THR 45 Ca -0.00 -0.03 0.14 0.00 -0.55 0.00 0.00 66.41 65.96 2jnb h THR 45 Cb 0.82 0.51 -0.09 0.00 -1.73 0.00 0.00 68.15 67.67 2jnb h THR 45 CO -0.00 0.02 0.62 0.25 -0.25 0.00 0.00 175.52 176.15 2jnb h LEU 46 N 0.09 0.85 -0.53 3.87 6.46 -1.34 -0.70 115.31 124.00 2jnb h LEU 46 Ca 0.24 0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.96 2jnb h LEU 46 Cb 0.35 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 2jnb h LEU 46 CO -0.41 0.42 -0.03 0.78 -0.62 0.00 0.00 178.44 178.58 2jnb h ASN 47 N 0.89 0.95 0.32 1.25 2.35 -1.09 -2.57 115.58 117.68 2jnb h ASN 47 Ca 0.50 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2jnb h ASN 47 Cb 0.61 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 2jnb h ASN 47 CO -0.27 1.04 -0.09 0.03 -1.65 0.00 0.00 177.43 176.49 2jnb h ARG 48 N 0.83 0.00 -1.89 0.81 3.08 -0.17 -3.46 114.38 113.59 2jnb h ARG 48 Ca 0.15 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 2jnb h ARG 48 Cb 0.57 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.64 2jnb h ARG 48 CO 0.03 0.09 -0.12 0.41 -1.07 0.00 0.00 179.97 179.32 2jnb n GLY 49 N -0.78 0.67 0.00 0.04 0.00 -0.74 -4.96 105.19 99.43 2jnb n GLY 49 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2jnb n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jnb n ILE 50 N -2.81 0.00 -2.25 -0.61 -6.64 -1.23 -4.94 119.36 100.88 2jnb n ILE 50 Ca -0.00 -0.47 -0.33 0.00 -1.77 0.00 0.00 62.75 60.17 2jnb n ILE 50 Cb 0.51 1.01 -0.04 0.00 -1.44 0.00 0.00 39.64 39.68 2jnb n ILE 50 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2jnb s SER 51 N -0.76 5.67 -0.06 7.28 0.01 -1.26 -3.89 113.70 120.69 2jnb s SER 51 Ca 0.00 -0.86 0.12 0.00 1.31 0.00 0.00 55.95 56.52 2jnb s SER 51 Cb 0.00 -2.56 -0.18 0.00 0.21 0.00 0.00 66.02 63.49 2jnb s SER 51 CO 0.00 -2.25 0.18 -0.62 0.41 0.00 0.00 173.24 170.96 2jnb n GLU 52 N 8.91 1.11 -3.85 12.44 -0.58 -1.26 -4.77 120.64 132.66 2jnb n GLU 52 Ca 0.35 -0.07 -0.28 0.00 -0.42 0.00 0.00 57.16 56.74 2jnb n GLU 52 Cb 0.49 -1.31 -0.16 0.00 -0.57 0.00 0.00 31.44 29.88 2jnb n GLU 52 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2jnb s PHE 53 N -2.64 1.50 0.12 -0.32 5.36 -1.23 -4.72 117.98 116.05 2jnb s PHE 53 Ca -0.05 -0.99 0.11 0.00 -0.96 0.00 0.00 56.93 55.03 2jnb s PHE 53 Cb 0.06 -1.22 -0.04 0.00 -0.34 0.00 0.00 43.02 41.49 2jnb s PHE 53 CO 0.53 -0.60 -0.26 0.42 -1.46 0.00 0.00 175.22 173.84 2jnb s ILE 54 N 1.70 2.20 -0.03 3.12 -1.09 -1.26 -1.35 121.20 124.48 2jnb s ILE 54 Ca 0.00 -1.71 -0.04 0.00 -2.23 0.00 0.00 60.65 56.67 2jnb s ILE 54 Cb -0.16 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 38.79 2jnb s ILE 54 CO -0.07 0.09 0.11 -0.69 -1.23 0.00 0.00 174.94 173.15 2jnb s VAL 55 N -1.05 0.02 0.32 2.92 1.01 -1.08 -3.70 120.40 118.83 2jnb s VAL 55 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2jnb s VAL 55 Cb -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2jnb s VAL 55 CO 0.06 -0.10 0.48 0.00 0.00 0.00 0.00 175.10 175.54 2jnb s MET 56 N -0.28 1.82 -0.18 2.72 0.23 -0.77 -2.16 119.30 120.69 2jnb s MET 56 Ca -0.03 -1.62 -0.07 0.00 -1.03 0.00 0.00 55.69 52.94 2jnb s MET 56 Cb -0.03 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 2jnb s MET 56 CO 0.00 -0.76 0.04 0.00 -2.03 0.00 0.00 175.02 172.27 2jnb s ALA 57 N -3.26 3.32 0.61 3.16 0.00 -1.23 -1.51 121.76 122.85 2jnb s ALA 57 Ca 0.28 -0.76 0.31 0.00 0.00 0.00 0.00 51.96 51.79 2jnb s ALA 57 Cb -0.00 -1.84 1.73 0.00 0.00 0.00 0.00 23.12 23.00 2jnb s ALA 57 CO 0.17 0.19 2.10 0.00 0.00 0.00 0.00 175.76 178.22 2jnb h ALA 58 N 6.68 1.68 -0.55 0.00 0.00 -1.04 0.22 119.26 126.25 2jnb h ALA 58 Ca -0.36 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2jnb h ALA 58 Cb 1.17 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2jnb h ALA 58 CO 0.69 -0.29 0.15 -0.25 0.00 0.00 0.00 179.25 179.55 2jnb n ASP 59 N -3.62 4.18 -4.70 0.00 9.92 -1.26 -4.71 116.55 116.36 2jnb n ASP 59 Ca 0.01 -3.28 -0.39 0.00 -0.53 0.00 0.00 54.79 50.61 2jnb n ASP 59 Cb 0.32 -0.68 -0.06 0.00 -0.64 0.00 0.00 41.12 40.06 2jnb n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jnb s ALA 60 N -3.01 3.48 0.07 2.24 0.00 0.77 -5.06 121.76 120.25 2jnb s ALA 60 Ca 0.50 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.20 2jnb s ALA 60 Cb 0.41 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 2jnb s ALA 60 CO 0.10 -0.20 0.12 -1.83 0.00 0.00 0.00 175.76 173.95 2jnb s GLU 61 N 1.09 0.75 0.35 0.00 -1.05 -1.26 -3.92 118.70 114.65 2jnb s GLU 61 Ca 0.28 -0.99 -0.28 0.00 -0.15 0.00 0.00 54.97 53.83 2jnb s GLU 61 Cb -0.16 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.73 2jnb s GLU 61 CO 0.11 -0.21 1.21 -1.25 0.95 0.00 0.00 175.26 176.08 2jnb s PRO 62 N -3.70 4.30 0.23 -4.83 0.04 -1.26 -5.06 135.00 124.71 2jnb s PRO 62 Ca 0.04 1.99 0.20 0.00 0.04 0.00 0.00 61.00 63.27 2jnb s PRO 62 Cb 0.05 -2.95 0.92 0.00 0.04 0.00 0.00 34.50 32.56 2jnb s PRO 62 CO -0.10 -0.16 1.61 1.28 0.04 0.00 0.00 177.00 179.68 2jnb n LEU 63 N 0.61 0.51 -0.17 -3.56 4.77 -1.25 -3.00 117.00 114.91 2jnb n LEU 63 Ca 0.01 0.66 -0.02 0.00 -0.03 0.00 0.00 56.01 56.64 2jnb n LEU 63 Cb 0.44 -0.63 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 2jnb n LEU 63 CO 0.55 -0.63 0.84 -0.33 -1.33 0.00 0.00 177.39 176.49 2jnb h GLU 64 N 0.00 0.11 0.00 3.23 5.08 -1.97 0.22 114.58 121.24 2jnb h GLU 64 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2jnb h GLU 64 Cb 0.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2jnb h GLU 64 CO 0.00 0.07 -0.18 -0.84 -1.00 0.00 0.00 179.01 177.06 2jnb h ILE 65 N 0.11 0.90 0.00 3.13 3.07 -1.97 -1.63 117.51 121.12 2jnb h ILE 65 Ca 0.26 -0.65 -0.08 0.00 1.55 0.00 0.00 64.86 65.94 2jnb h ILE 65 Cb 0.40 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.31 2jnb h ILE 65 CO -0.44 0.17 -0.38 0.40 -1.05 0.00 0.00 178.15 176.85 2jnb h ILE 66 N 0.00 0.68 0.00 0.16 1.08 -0.85 -3.12 117.51 115.46 2jnb h ILE 66 Ca -0.00 -1.83 0.00 0.00 -0.39 0.00 0.00 64.86 62.64 2jnb h ILE 66 Cb 0.36 2.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 2jnb h ILE 66 CO 0.02 0.37 -0.61 -0.11 -0.69 0.00 0.00 178.15 177.13 2jnb n LEU 67 N -3.25 0.57 -0.10 1.44 0.00 0.05 -4.11 117.00 111.62 2jnb n LEU 67 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 2jnb n LEU 67 Cb 0.64 -0.21 -0.04 0.00 0.00 0.00 0.00 43.42 43.82 2jnb n LEU 67 CO 0.38 0.11 0.77 -0.74 0.00 0.00 0.00 177.39 177.91 2jnb h HIS 68 N 0.00 0.55 0.18 1.96 2.76 -1.26 -3.25 115.15 116.08 2jnb h HIS 68 Ca 0.00 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.08 2jnb h HIS 68 Cb 0.55 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.32 2jnb h HIS 68 CO 0.00 0.65 -0.52 -0.07 -1.30 0.00 0.00 177.93 176.69 2jnb h LEU 69 N 0.29 -1.54 -9.30 0.26 3.38 -1.71 -3.40 115.31 103.30 2jnb h LEU 69 Ca 0.08 0.16 -0.55 0.00 0.09 0.00 0.00 57.88 57.66 2jnb h LEU 69 Cb 0.43 0.56 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2jnb h LEU 69 CO 0.02 -0.57 0.95 -2.16 0.09 0.00 0.00 178.44 176.76 2jnb s PRO 70 N -5.80 4.23 -0.13 1.13 0.04 -1.23 -4.94 135.00 128.30 2jnb s PRO 70 Ca -0.17 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.79 2jnb s PRO 70 Cb 0.06 -3.75 -0.07 0.00 0.04 0.00 0.00 34.50 30.78 2jnb s PRO 70 CO 0.61 -0.70 0.08 -0.07 0.04 0.00 0.00 177.00 176.96 2jnb h LEU 71 N 9.26 0.00 0.00 -3.56 3.38 -1.82 -3.47 115.31 119.09 2jnb h LEU 71 Ca -0.37 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2jnb h LEU 71 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2jnb h LEU 71 CO 0.93 0.79 0.00 0.18 0.09 0.00 0.00 178.44 180.44 2jnb n LEU 72 N -4.65 0.00 0.00 1.67 4.77 -1.26 -5.14 117.00 112.39 2jnb n LEU 72 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2jnb n LEU 72 Cb 0.25 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2jnb n LEU 72 CO 0.11 -0.28 0.00 0.00 -1.33 0.00 0.00 177.39 175.89 2jnb h GLU 74 N 0.00 0.06 -0.33 0.00 9.09 -1.93 0.24 114.58 121.72 2jnb h GLU 74 Ca 0.00 -0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.47 2jnb h GLU 74 Cb 0.00 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.07 2jnb h GLU 74 CO 0.00 0.04 0.23 -0.44 0.05 0.00 0.00 179.01 178.89 2jnb h ASP 75 N 0.07 0.12 -0.38 3.06 5.19 -1.95 0.24 116.42 122.76 2jnb h ASP 75 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2jnb h ASP 75 Cb 1.42 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.90 2jnb h ASP 75 CO -0.03 0.08 0.00 1.17 -3.12 0.00 0.00 179.24 177.34 2jnb n LYS 76 N -4.47 2.28 -2.48 3.56 3.00 0.86 -4.96 118.16 115.95 2jnb n LYS 76 Ca 0.04 -1.54 -0.03 0.00 -0.00 0.00 0.00 58.31 56.77 2jnb n LYS 76 Cb 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.85 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 -6.56 -3.38 3.14 2.85 0.83 -4.97 115.26 107.77 2jnb n ASN 77 Ca 0.14 0.71 -0.19 0.00 -0.11 0.00 0.00 54.58 55.13 2jnb n ASN 77 Cb 0.46 -4.33 -0.08 0.00 1.24 0.00 0.00 39.78 37.07 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 -1.79 -0.23 0.36 3.44 1.01 -1.26 -5.01 120.40 116.93 2jnb s VAL 78 Ca 0.11 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.64 2jnb s VAL 78 Cb -0.03 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 2jnb s VAL 78 CO 0.59 -0.68 1.21 -2.16 0.00 0.00 0.00 175.10 174.06 2jnb s PRO 79 N 1.31 4.25 -0.15 2.72 0.04 -1.26 -4.65 135.00 137.26 2jnb s PRO 79 Ca 0.18 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2jnb s PRO 79 Cb -0.17 -2.90 0.12 0.00 0.04 0.00 0.00 34.50 31.60 2jnb s PRO 79 CO -0.02 -0.19 0.96 1.52 0.04 0.00 0.00 177.00 179.31 2jnb s TYR 80 N -1.27 -0.40 -0.12 0.56 -0.85 -1.26 -4.25 117.35 109.75 2jnb s TYR 80 Ca 0.52 0.69 -0.11 0.00 -0.52 0.00 0.00 57.07 57.65 2jnb s TYR 80 Cb -0.34 0.44 0.03 0.00 0.38 0.00 0.00 41.96 42.48 2jnb s TYR 80 CO 0.44 -0.37 0.32 0.14 -1.52 0.00 0.00 175.55 174.56 2jnb s VAL 81 N -1.12 -0.00 -0.32 -3.49 -7.23 -1.24 -5.00 120.40 101.99 2jnb s VAL 81 Ca -0.03 0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.04 2jnb s VAL 81 Cb -0.00 -0.45 -0.00 0.00 0.56 0.00 0.00 36.38 36.48 2jnb s VAL 81 CO 0.03 0.00 0.18 -0.36 -0.31 0.00 0.00 175.10 174.64 2jnb s PHE 82 N 0.24 3.20 0.10 2.82 0.08 -1.26 -1.85 117.98 121.31 2jnb s PHE 82 Ca -0.01 -0.55 0.06 0.00 0.12 0.00 0.00 56.93 56.56 2jnb s PHE 82 Cb -0.03 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 2jnb s PHE 82 CO -0.00 -0.46 -0.05 0.14 -0.10 0.00 0.00 175.22 174.74 2jnb s VAL 83 N 1.63 3.68 -0.43 -0.44 -7.23 -0.57 -0.01 120.40 117.02 2jnb s VAL 83 Ca 0.05 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.04 2jnb s VAL 83 Cb -0.17 -2.74 0.11 0.00 0.56 0.00 0.00 36.38 34.13 2jnb s VAL 83 CO 0.07 0.11 2.59 -2.11 -0.31 0.00 0.00 175.10 175.44 2jnb n ARG 84 N 0.61 2.27 -3.65 4.82 1.85 -1.26 -0.54 116.66 120.77 2jnb n ARG 84 Ca -0.12 -2.20 -0.06 0.00 -1.00 0.00 0.00 57.85 54.47 2jnb n ARG 84 Cb 0.52 -2.03 -0.08 0.00 -1.05 0.00 0.00 32.46 29.82 2jnb n ARG 84 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2jnb s SER 85 N 0.26 -0.51 -0.09 2.89 0.01 -1.26 -5.04 113.70 109.96 2jnb s SER 85 Ca 0.53 1.15 -0.09 0.00 1.31 0.00 0.00 55.95 58.85 2jnb s SER 85 Cb 0.36 1.63 -0.03 0.00 0.21 0.00 0.00 66.02 68.18 2jnb s SER 85 CO -0.17 -0.23 -0.17 0.29 0.41 0.00 0.00 173.24 173.37 2jnb n LYS 86 N 5.41 0.26 -0.14 12.44 5.02 -1.26 -4.13 118.16 135.75 2jnb n LYS 86 Ca -0.09 0.10 0.16 0.00 -2.02 0.00 0.00 58.31 56.46 2jnb n LYS 86 Cb 0.49 -0.94 0.53 0.00 -0.02 0.00 0.00 35.03 35.09 2jnb n LYS 86 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2jnb h GLN 87 N -0.50 0.35 -0.69 1.97 4.20 -1.97 -0.08 115.11 118.39 2jnb h GLN 87 Ca 0.00 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 2jnb h GLN 87 Cb 0.50 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2jnb h GLN 87 CO 0.00 0.23 0.14 0.00 -0.67 0.00 0.00 178.83 178.54 2jnb h ALA 88 N 1.66 0.94 -0.16 3.87 0.00 -1.99 0.20 119.26 123.78 2jnb h ALA 88 Ca 0.35 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2jnb h ALA 88 Cb 0.86 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jnb h ALA 88 CO -0.10 0.67 -0.47 1.25 0.00 0.00 0.00 179.25 180.60 2jnb h LEU 89 N 1.06 0.44 0.09 0.00 5.85 -1.20 -3.09 115.31 118.46 2jnb h LEU 89 Ca 0.21 -0.21 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 2jnb h LEU 89 Cb 0.40 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.32 2jnb h LEU 89 CO 0.01 0.85 -1.23 1.23 -0.34 0.00 0.00 178.44 178.96 2jnb h GLY 90 N 1.18 0.48 0.52 3.75 0.00 -1.08 -2.83 103.07 105.09 2jnb h GLY 90 Ca 0.02 -1.08 0.01 0.00 0.00 0.00 0.00 47.33 46.28 2jnb h GLY 90 CO 0.08 0.95 -0.33 3.21 0.00 0.00 0.00 176.54 180.45 2jnb h ARG 91 N 0.16 -0.60 0.00 4.80 2.47 -0.59 -1.78 114.38 118.85 2jnb h ARG 91 Ca -0.16 0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 2jnb h ARG 91 Cb 1.92 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 30.36 2jnb h ARG 91 CO 0.22 -0.40 -0.24 0.00 0.56 0.00 0.00 179.97 180.11 2jnb h ALA 92 N -0.04 1.27 0.00 0.04 0.00 -1.67 -2.45 119.26 116.40 2jnb h ALA 92 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2jnb h ALA 92 Cb 0.61 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jnb h ALA 92 CO -0.13 0.30 -0.10 0.00 0.00 0.00 0.00 179.25 179.31 2jnb n GLY 94 N -0.93 1.28 3.31 0.00 0.00 -0.92 -5.01 105.19 102.92 2jnb n GLY 94 Ca -0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 1.99 0.19 1.61 0.11 -1.03 -5.03 120.40 116.24 2jnb s VAL 95 Ca 0.00 -1.28 -0.07 0.00 -2.93 0.00 0.00 61.98 57.70 2jnb s VAL 95 Cb 0.00 -1.70 0.03 0.00 -1.53 0.00 0.00 36.38 33.18 2jnb s VAL 95 CO 0.00 0.36 1.61 0.28 -3.33 0.00 0.00 175.10 174.02 2jnb h SER 96 N 4.94 0.91 -2.79 3.54 0.02 -1.95 -3.38 113.55 114.84 2jnb h SER 96 Ca -0.45 -0.32 -0.47 0.00 -0.84 0.00 0.00 61.79 59.71 2jnb h SER 96 Cb 1.14 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.45 2jnb h SER 96 CO 0.44 1.07 -0.18 -0.13 -1.14 0.00 0.00 176.83 176.89 2jnb s ARG 97 N -4.72 3.44 0.58 3.45 0.52 -1.26 -4.97 118.95 115.98 2jnb s ARG 97 Ca -0.10 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.57 2jnb s ARG 97 Cb 0.13 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.91 2jnb s ARG 97 CO 0.85 0.10 1.13 -1.25 0.02 0.00 0.00 175.30 176.14 2jnb s PRO 98 N -4.35 3.20 -0.05 3.54 0.04 -1.26 -4.78 135.00 131.34 2jnb s PRO 98 Ca 0.41 1.55 0.01 0.00 0.04 0.00 0.00 61.00 63.01 2jnb s PRO 98 Cb -0.10 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 2jnb s PRO 98 CO 0.36 -0.96 -0.05 0.54 0.04 0.00 0.00 177.00 176.93 2jnb s VAL 99 N -1.93 3.85 -0.15 -0.36 0.11 -1.26 -4.97 120.40 115.68 2jnb s VAL 99 Ca 0.71 -0.50 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 2jnb s VAL 99 Cb -0.23 -2.61 -0.07 0.00 -1.53 0.00 0.00 36.38 31.94 2jnb s VAL 99 CO 0.31 0.55 -0.04 0.40 -3.33 0.00 0.00 175.10 172.98 2jnb h ILE 100 N 4.08 0.27 -3.25 7.04 2.04 -1.94 -3.45 117.51 122.29 2jnb h ILE 100 Ca -0.49 -1.32 -0.47 0.00 1.00 0.00 0.00 64.86 63.58 2jnb h ILE 100 Cb 1.18 0.62 -0.38 0.00 -0.74 0.00 0.00 36.82 37.49 2jnb h ILE 100 CO 0.53 0.09 -0.77 0.00 0.00 0.00 0.00 178.15 178.00 2jnb s ALA 101 N -2.61 0.89 0.23 1.87 0.00 -1.26 -3.52 121.76 117.36 2jnb s ALA 101 Ca -0.17 -0.36 0.10 0.00 0.00 0.00 0.00 51.96 51.53 2jnb s ALA 101 Cb 0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2jnb s ALA 101 CO 0.30 -0.66 -0.07 0.00 0.00 0.00 0.00 175.76 175.33 2jnb s SER 103 N -3.32 2.69 -0.17 0.00 1.04 0.76 -2.65 113.70 112.06 2jnb s SER 103 Ca 0.29 -1.02 -0.04 0.00 0.48 0.00 0.00 55.95 55.66 2jnb s SER 103 Cb -0.07 -0.16 0.06 0.00 0.10 0.00 0.00 66.02 65.95 2jnb s SER 103 CO 0.17 -0.14 0.07 -0.69 0.98 0.00 0.00 173.24 173.62 2jnb s VAL 104 N -2.91 0.16 0.12 5.02 1.01 -0.46 -3.25 120.40 120.09 2jnb s VAL 104 Ca 0.23 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2jnb s VAL 104 Cb -0.01 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.56 2jnb s VAL 104 CO 0.08 -0.22 0.79 0.42 0.00 0.00 0.00 175.10 176.17 2jnb s THR 105 N 2.03 4.50 0.15 3.92 -4.23 -1.26 -3.53 115.64 117.21 2jnb s THR 105 Ca 0.01 1.72 -0.06 0.00 -1.18 0.00 0.00 61.69 62.18 2jnb s THR 105 Cb -0.16 -4.15 -0.06 0.00 1.34 0.00 0.00 72.50 69.47 2jnb s THR 105 CO -0.08 0.45 0.40 -0.51 -0.54 0.00 0.00 174.62 174.34 2jnb s ILE 106 N -0.67 5.13 -0.17 2.99 2.07 -1.25 -5.00 121.20 124.30 2jnb s ILE 106 Ca 0.38 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.75 2jnb s ILE 106 Cb -0.22 -3.62 0.02 0.00 0.13 0.00 0.00 42.46 38.76 2jnb s ILE 106 CO 0.26 0.04 -0.20 -0.75 -1.91 0.00 0.00 174.94 172.38 2jnb s LYS 107 N -2.63 3.01 -0.35 3.50 2.47 -1.26 -5.07 119.74 119.42 2jnb s LYS 107 Ca 0.41 -0.83 -0.29 0.00 -1.56 0.00 0.00 55.97 53.70 2jnb s LYS 107 Cb -0.12 -2.55 0.01 0.00 -1.46 0.00 0.00 37.83 33.71 2jnb s LYS 107 CO 0.24 -0.16 1.20 -1.21 0.16 0.00 0.00 175.35 175.58 2jnb s GLU 108 N 1.17 3.90 0.00 4.03 2.02 -1.26 -3.30 118.70 125.27 2jnb s GLU 108 Ca 0.02 1.03 0.00 0.00 0.02 0.00 0.00 54.97 56.04 2jnb s GLU 108 Cb -0.14 -3.85 0.00 0.00 0.10 0.00 0.00 34.13 30.25 2jnb s GLU 108 CO -0.10 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.46 2jnb n GLY 109 N 4.32 1.63 3.73 -1.39 0.00 -1.26 -5.11 105.19 107.11 2jnb n GLY 109 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.05 5.68 0.57 1.61 1.04 -1.21 -4.98 113.70 115.36 2jnb s SER 110 Ca 0.00 0.23 0.27 0.00 0.48 0.00 0.00 55.95 56.93 2jnb s SER 110 Cb 0.00 -1.77 1.53 0.00 0.10 0.00 0.00 66.02 65.87 2jnb s SER 110 CO 0.00 0.34 2.02 0.06 0.98 0.00 0.00 173.24 176.64 2jnb h GLN 111 N 5.46 0.00 -0.60 4.02 3.07 -2.00 -0.15 115.11 124.91 2jnb h GLN 111 Ca -0.49 0.00 0.17 0.00 0.09 0.00 0.00 58.65 58.42 2jnb h GLN 111 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.73 2jnb h GLN 111 CO 0.59 0.00 0.43 1.25 0.09 0.00 0.00 178.83 181.19 2jnb h LEU 112 N 0.00 0.05 -2.25 0.06 6.46 -1.93 0.17 115.31 117.86 2jnb h LEU 112 Ca 0.16 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 2jnb h LEU 112 Cb 0.81 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 2jnb h LEU 112 CO -0.00 0.02 0.15 0.07 -0.62 0.00 0.00 178.44 178.07 2jnb h LYS 113 N 0.05 0.00 0.00 1.25 2.10 -1.24 0.52 116.57 119.25 2jnb h LYS 113 Ca 0.29 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.76 2jnb h LYS 113 Cb 1.08 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.38 2jnb h LYS 113 CO -0.02 0.00 -0.84 0.37 -2.00 0.00 0.00 179.45 176.96 2jnb h GLN 114 N 0.00 0.01 0.32 0.07 4.15 -0.84 -2.74 115.11 116.08 2jnb h GLN 114 Ca 0.07 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2jnb h GLN 114 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2jnb h GLN 114 CO -0.00 0.84 -0.16 1.96 -1.93 0.00 0.00 178.83 179.55 2jnb h GLN 115 N 0.00 -0.42 -0.47 1.69 4.20 -0.97 0.46 115.11 119.60 2jnb h GLN 115 Ca -0.01 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.79 2jnb h GLN 115 Cb 1.49 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 29.34 2jnb h GLN 115 CO 0.11 -0.13 0.32 0.82 -0.67 0.00 0.00 178.83 179.28 2jnb h ILE 116 N -1.01 0.96 0.06 2.54 2.04 -1.58 -1.49 117.51 119.04 2jnb h ILE 116 Ca -0.04 -0.13 -0.25 0.00 1.00 0.00 0.00 64.86 65.43 2jnb h ILE 116 Cb 0.48 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2jnb h ILE 116 CO 0.07 0.07 -1.09 1.56 0.00 0.00 0.00 178.15 178.77 2jnb h GLN 117 N 0.38 0.37 -0.53 2.37 4.20 -1.52 -2.83 115.11 117.55 2jnb h GLN 117 Ca 0.21 -0.48 0.08 0.00 0.06 0.00 0.00 58.65 58.52 2jnb h GLN 117 Cb 0.33 0.16 -0.07 0.00 0.30 0.00 0.00 27.48 28.20 2jnb h GLN 117 CO -0.05 1.17 0.16 0.77 -0.67 0.00 0.00 178.83 180.21 2jnb h SER 118 N 0.17 0.12 0.71 1.46 0.02 0.18 -1.00 113.55 115.20 2jnb h SER 118 Ca -0.11 0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 2jnb h SER 118 Cb 1.76 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.36 2jnb h SER 118 CO 0.19 0.09 -0.74 -0.29 -1.14 0.00 0.00 176.83 174.94 2jnb h ILE 119 N 0.32 1.52 -0.88 3.27 2.10 -1.59 -3.20 117.51 119.06 2jnb h ILE 119 Ca 0.26 -2.50 -0.02 0.00 1.08 0.00 0.00 64.86 63.68 2jnb h ILE 119 Cb 0.32 2.35 -0.04 0.00 -1.09 0.00 0.00 36.82 38.36 2jnb h ILE 119 CO -0.29 0.72 0.46 -0.61 -1.08 0.00 0.00 178.15 177.34 2jnb h GLN 120 N 0.02 1.24 -0.80 2.19 4.15 -0.99 -2.59 115.11 118.33 2jnb h GLN 120 Ca -0.01 -0.16 0.13 0.00 0.77 0.00 0.00 58.65 59.38 2jnb h GLN 120 Cb 1.30 -0.24 -0.09 0.00 0.21 0.00 0.00 27.48 28.67 2jnb h GLN 120 CO 0.10 0.92 0.39 1.96 -1.93 0.00 0.00 178.83 180.27 2jnb h GLN 121 N 1.24 0.57 -0.11 1.69 4.20 -1.22 0.12 115.11 121.60 2jnb h GLN 121 Ca 0.31 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.94 2jnb h GLN 121 Cb 0.06 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jnb h GLN 121 CO -0.05 0.38 -0.15 0.77 -0.67 0.00 0.00 178.83 179.12 2jnb h SER 122 N 0.59 0.17 -0.34 1.46 0.02 -1.59 -2.57 113.55 111.28 2jnb h SER 122 Ca 0.42 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 61.20 2jnb h SER 122 Cb 0.57 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2jnb h SER 122 CO -0.34 0.34 -0.33 0.40 -1.14 0.00 0.00 176.83 175.75 2jnb h ILE 123 N 0.17 1.28 -0.37 3.27 2.04 -0.69 -2.97 117.51 120.23 2jnb h ILE 123 Ca 0.03 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.40 2jnb h ILE 123 Cb 0.37 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2jnb h ILE 123 CO 0.02 0.50 0.23 -0.08 0.00 0.00 0.00 178.15 178.82 2jnb h GLU 124 N 0.73 0.49 -0.25 2.37 4.81 -0.94 -1.09 114.58 120.70 2jnb h GLU 124 Ca 0.07 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2jnb h GLU 124 Cb 0.90 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 2jnb h GLU 124 CO 0.08 0.34 0.06 0.00 -0.73 0.00 0.00 179.01 178.77 2jnb h ARG 125 N 0.51 0.16 -0.08 1.92 2.47 -1.41 -2.25 114.38 115.69 2jnb h ARG 125 Ca 0.13 -0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 58.67 2jnb h ARG 125 Cb -0.03 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 2jnb h ARG 125 CO -0.03 0.11 -0.69 -0.07 0.56 0.00 0.00 179.97 179.85 2jnb h LEU 126 N 0.17 0.41 -0.77 3.04 3.38 -1.51 -3.18 115.31 116.85 2jnb h LEU 126 Ca 0.11 -0.26 0.11 0.00 0.09 0.00 0.00 57.88 57.93 2jnb h LEU 126 Cb 0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 2jnb h LEU 126 CO -0.14 0.98 0.38 -0.07 0.09 0.00 0.00 178.44 179.68 2jnb h LEU 127 N 0.25 0.47 0.00 1.67 3.38 -0.76 -3.45 115.31 116.87 2jnb h LEU 127 Ca -0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jnb h LEU 127 Cb 1.25 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jnb h LEU 127 CO 0.12 0.24 0.00 0.55 0.09 0.00 0.00 178.44 179.44