#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnx s ALA 2 N 0.00 -1.99 0.07 -5.12 0.00 -1.26 -5.19 121.76 108.28 2jnx s ALA 2 Ca 0.00 0.49 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 2jnx s ALA 2 Cb 0.00 0.46 0.07 0.00 0.00 0.00 0.00 23.12 23.65 2jnx s ALA 2 CO 0.00 -1.03 0.64 -1.21 0.00 0.00 0.00 175.76 174.16 2jnx s GLU 3 N -2.79 1.18 -0.35 0.00 2.02 -1.26 -5.12 118.70 112.39 2jnx s GLU 3 Ca 0.13 -0.15 -0.06 0.00 0.02 0.00 0.00 54.97 54.91 2jnx s GLU 3 Cb 0.02 0.55 0.21 0.00 0.10 0.00 0.00 34.13 35.01 2jnx s GLU 3 CO -0.01 -0.46 1.10 0.00 0.02 0.00 0.00 175.26 175.90 2jnx n ALA 4 N 0.19 -3.73 -3.23 5.21 0.00 -1.26 -5.13 120.51 112.55 2jnx n ALA 4 Ca -0.18 0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.34 2jnx n ALA 4 Cb 0.61 -3.25 -0.03 0.00 0.00 0.00 0.00 19.45 16.79 2jnx n ALA 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jnx s LEU 5 N 0.96 -0.51 0.58 0.00 1.43 -1.26 -5.00 118.68 114.88 2jnx s LEU 5 Ca 0.24 0.46 0.28 0.00 -1.03 0.00 0.00 54.13 54.08 2jnx s LEU 5 Cb 0.13 1.49 1.53 0.00 0.03 0.00 0.00 46.19 49.36 2jnx s LEU 5 CO -0.11 -0.10 1.84 0.15 0.23 0.00 0.00 176.35 178.37 2jnx h PHE 6 N 7.75 0.00 -0.07 0.29 3.57 -2.00 -3.01 116.94 123.47 2jnx h PHE 6 Ca -0.15 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.36 2jnx h PHE 6 Cb 1.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2jnx h PHE 6 CO 0.13 0.00 -0.04 1.63 -2.23 0.00 0.00 178.31 177.80 2jnx n LYS 7 N -2.71 -0.03 0.12 1.11 4.76 -1.26 0.61 118.16 120.76 2jnx n LYS 7 Ca -0.02 0.95 -0.13 0.00 -2.87 0.00 0.00 58.31 56.23 2jnx n LYS 7 Cb 0.30 -1.42 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 2jnx n LYS 7 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 2jnx h GLN 8 N 0.00 -0.54 -0.93 1.97 3.07 -1.92 1.57 115.11 118.33 2jnx h GLN 8 Ca 0.01 0.04 0.30 0.00 0.09 0.00 0.00 58.65 59.09 2jnx h GLN 8 Cb 0.03 0.12 -0.17 0.00 0.08 0.00 0.00 27.48 27.54 2jnx h GLN 8 CO -0.07 -0.36 0.18 1.28 0.09 0.00 0.00 178.83 179.96 2jnx n LEU 9 N -5.42 0.04 -0.04 0.06 7.99 -0.27 -1.39 117.00 117.96 2jnx n LEU 9 Ca -0.07 1.57 -0.01 0.00 -0.01 0.00 0.00 56.01 57.50 2jnx n LEU 9 Cb 0.33 -0.64 -0.00 0.00 -0.11 0.00 0.00 43.42 43.00 2jnx n LEU 9 CO 0.23 -1.65 -0.05 -0.78 -1.51 0.00 0.00 177.39 173.63 2jnx h ASP 10 N 0.00 0.00 0.00 -1.43 3.58 0.14 -3.46 116.42 115.25 2jnx h ASP 10 Ca 0.64 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.09 2jnx h ASP 10 Cb 1.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.53 2jnx h ASP 10 CO -0.82 0.39 0.00 0.00 -2.88 0.00 0.00 179.24 175.93 2jnx n ALA 11 N -2.69 0.00 -0.58 -0.78 0.00 0.53 -4.58 120.51 112.40 2jnx n ALA 11 Ca -0.01 0.00 0.45 0.00 0.00 0.00 0.00 53.44 53.88 2jnx n ALA 11 Cb 0.04 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.20 2jnx n ALA 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jnx n ASN 12 N 1.86 0.06 -1.03 0.00 5.03 -1.26 -4.67 115.26 115.26 2jnx n ASN 12 Ca 0.00 1.02 -0.13 0.00 0.87 0.00 0.00 54.58 56.33 2jnx n ASN 12 Cb 0.00 -0.51 -0.06 0.00 -1.02 0.00 0.00 39.78 38.20 2jnx n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jnx n GLY 13 N -1.73 1.39 0.04 7.41 0.00 -1.26 -4.83 105.19 106.21 2jnx n GLY 13 Ca 0.40 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2jnx n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jnx n ASP 14 N -0.41 0.36 0.00 1.61 5.68 -1.26 -4.91 116.55 117.61 2jnx n ASP 14 Ca -0.13 0.47 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 2jnx n ASP 14 Cb 0.47 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 2jnx n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jnx n GLY 15 N 1.42 1.35 3.92 6.12 0.00 -1.26 -4.88 105.19 111.86 2jnx n GLY 15 Ca 0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2jnx n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jnx s SER 16 N 0.00 6.38 0.00 1.61 1.04 -1.26 -3.62 113.70 117.84 2jnx s SER 16 Ca 0.00 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2jnx s SER 16 Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2jnx s SER 16 CO 0.00 -0.17 0.00 0.55 0.98 0.00 0.00 173.24 174.60 2jnx n VAL 17 N -1.10 0.00 -2.84 5.02 3.14 0.50 -4.91 118.33 118.15 2jnx n VAL 17 Ca -0.04 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.91 2jnx n VAL 17 Cb 0.55 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.29 2jnx n VAL 17 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2jnx s SER 18 N -1.53 6.31 0.47 6.55 1.04 -1.26 0.29 113.70 125.58 2jnx s SER 18 Ca 0.00 -1.27 0.42 0.00 0.48 0.00 0.00 55.95 55.58 2jnx s SER 18 Cb 0.00 -2.43 1.43 0.00 0.10 0.00 0.00 66.02 65.11 2jnx s SER 18 CO 0.00 -1.37 1.30 -1.22 0.98 0.00 0.00 173.24 172.93 2jnx n TYR 19 N 7.57 0.00 -0.34 5.02 4.02 -1.26 0.10 117.16 132.28 2jnx n TYR 19 Ca 0.06 0.00 0.25 0.00 -0.01 0.00 0.00 57.90 58.20 2jnx n TYR 19 Cb 0.47 -0.41 0.49 0.00 -0.02 0.00 0.00 39.34 39.87 2jnx n TYR 19 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2jnx h GLU 20 N 0.00 0.29 -0.13 -0.72 4.22 -1.92 2.16 114.58 118.48 2jnx h GLU 20 Ca 0.77 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 60.08 2jnx h GLU 20 Cb 3.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 32.33 2jnx h GLU 20 CO -0.01 0.19 -0.44 1.05 -2.18 0.00 0.00 179.01 177.62 2jnx h GLU 21 N 0.29 0.32 0.00 1.92 4.11 0.26 -2.09 114.58 119.39 2jnx h GLU 21 Ca 0.75 -0.16 -0.18 0.00 0.07 0.00 0.00 59.36 59.83 2jnx h GLU 21 Cb 1.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.97 2jnx h GLU 21 CO -0.61 0.70 -0.90 -0.24 0.07 0.00 0.00 179.01 178.03 2jnx h VAL 22 N 0.26 1.43 -0.64 -1.06 3.04 0.26 -1.40 116.25 118.15 2jnx h VAL 22 Ca 0.02 -3.05 -0.09 0.00 -1.01 0.00 0.00 66.70 62.57 2jnx h VAL 22 Cb 0.88 2.70 -0.02 0.00 -2.01 0.00 0.00 31.29 32.84 2jnx h VAL 22 CO 0.07 0.82 0.05 0.11 -1.01 0.00 0.00 177.57 177.61 2jnx h LYS 23 N 0.00 1.10 0.03 4.17 1.79 0.25 -1.11 116.57 122.80 2jnx h LYS 23 Ca -0.02 -0.32 -0.13 0.00 -2.18 0.00 0.00 60.65 57.99 2jnx h LYS 23 Cb 1.67 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 32.22 2jnx h LYS 23 CO 0.11 1.03 -0.54 0.00 -1.08 0.00 0.00 179.45 178.98 2jnx h ALA 24 N 1.02 0.02 -0.84 3.86 0.00 -1.41 -0.27 119.26 121.64 2jnx h ALA 24 Ca 0.19 -0.57 0.17 0.00 0.00 0.00 0.00 54.91 54.69 2jnx h ALA 24 Cb 0.50 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2jnx h ALA 24 CO 0.02 0.27 0.38 0.35 0.00 0.00 0.00 179.25 180.28 2jnx h PHE 25 N -0.32 0.66 0.17 0.00 3.57 -1.16 0.13 116.94 120.00 2jnx h PHE 25 Ca -0.08 0.04 -0.31 0.00 3.53 0.00 0.00 57.97 61.15 2jnx h PHE 25 Cb 1.30 -0.16 0.03 0.00 2.79 0.00 0.00 35.95 39.91 2jnx h PHE 25 CO 0.17 0.08 -1.33 0.28 -2.23 0.00 0.00 178.31 175.29 2jnx h VAL 26 N 0.51 1.32 -0.32 1.41 2.07 -1.26 -3.17 116.25 116.82 2jnx h VAL 26 Ca 0.48 -2.66 0.09 0.00 0.82 0.00 0.00 66.70 65.43 2jnx h VAL 26 Cb 0.76 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2jnx h VAL 26 CO -0.42 0.80 0.32 -1.28 0.02 0.00 0.00 177.57 177.01 2jnx h SER 27 N 0.19 0.00 -0.90 0.57 0.87 0.67 0.14 113.55 115.09 2jnx h SER 27 Ca -0.20 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.78 2jnx h SER 27 Cb 2.02 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 63.73 2jnx h SER 27 CO 0.25 0.00 0.75 -0.24 -0.53 0.00 0.00 176.83 177.06 2jnx n SER 28 N -3.85 7.34 0.00 6.23 2.88 0.29 -3.05 113.62 123.46 2jnx n SER 28 Ca 0.05 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.01 2jnx n SER 28 Cb 0.48 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2jnx n SER 28 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jnx n LYS 29 N -0.52 0.00 -0.07 -1.46 4.76 0.49 -5.03 118.16 116.34 2jnx n LYS 29 Ca 0.53 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.88 2jnx n LYS 29 Cb 0.62 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.74 2jnx n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jnx h ARG 30 N 0.00 0.00 0.00 1.97 2.47 -1.82 -3.47 114.38 113.52 2jnx h ARG 30 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jnx h ARG 30 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2jnx h ARG 30 CO 0.00 0.53 0.00 -0.35 0.56 0.00 0.00 179.97 180.71 2jnx n PRO 31 N -4.65 0.77 0.00 0.04 -0.04 -1.26 -5.04 135.00 124.82 2jnx n PRO 31 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2jnx n PRO 31 Cb 0.30 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 2jnx n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 2jnx n ILE 32 N -0.56 0.00 -4.05 0.52 0.00 -1.17 -4.55 119.36 109.56 2jnx n ILE 32 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 62.75 62.48 2jnx n ILE 32 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 39.64 39.47 2jnx n ILE 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2jnx s LYS 33 N -1.31 1.78 0.00 9.51 1.02 -1.26 -4.76 119.74 124.72 2jnx s LYS 33 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.62 2jnx s LYS 33 Cb 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 2jnx s LYS 33 CO 0.00 -0.21 0.00 0.09 -0.92 0.00 0.00 175.35 174.31 2jnx n ASN 34 N 4.72 0.00 0.10 2.83 4.13 -1.26 -4.97 115.26 120.81 2jnx n ASN 34 Ca -0.15 0.00 0.20 0.00 1.68 0.00 0.00 54.58 56.31 2jnx n ASN 34 Cb 0.50 0.00 0.69 0.00 -1.54 0.00 0.00 39.78 39.43 2jnx n ASN 34 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2jnx h GLU 35 N 0.00 0.00 0.00 3.52 4.11 -1.86 0.93 114.58 121.28 2jnx h GLU 35 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jnx h GLU 35 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jnx h GLU 35 CO 0.00 0.00 -0.00 0.37 0.07 0.00 0.00 179.01 179.45 2jnx h GLN 36 N 0.00 -0.00 -0.71 1.06 5.75 -1.94 0.48 115.11 119.75 2jnx h GLN 36 Ca 0.20 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.85 2jnx h GLN 36 Cb 1.32 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.74 2jnx h GLN 36 CO -0.00 -0.00 -0.13 -0.07 -2.65 0.00 0.00 178.83 175.98 2jnx h LEU 37 N -0.01 -0.57 0.00 -2.39 3.38 -1.83 0.52 115.31 114.41 2jnx h LEU 37 Ca -0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jnx h LEU 37 Cb 0.00 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jnx h LEU 37 CO 0.00 -0.22 0.00 0.18 0.09 0.00 0.00 178.44 178.49 2jnx n LEU 38 N -5.44 0.00 -0.30 1.67 4.77 0.27 -0.67 117.00 117.31 2jnx n LEU 38 Ca 0.10 0.98 0.19 0.00 -0.03 0.00 0.00 56.01 57.26 2jnx n LEU 38 Cb 0.39 -0.48 0.36 0.00 -2.33 0.00 0.00 43.42 41.36 2jnx n LEU 38 CO 0.02 -0.48 0.80 1.67 -1.33 0.00 0.00 177.39 178.07 2jnx n GLN 39 N -1.96 -0.06 0.00 3.23 0.00 0.16 0.55 117.38 119.29 2jnx n GLN 39 Ca 0.00 1.28 0.00 0.00 -0.00 0.00 0.00 57.00 58.28 2jnx n GLN 39 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 30.24 28.10 2jnx n GLN 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2jnx n LEU 40 N -5.17 0.00 -0.31 1.69 4.77 0.18 0.40 117.00 118.56 2jnx n LEU 40 Ca 0.26 0.97 0.03 0.00 -0.03 0.00 0.00 56.01 57.24 2jnx n LEU 40 Cb 0.86 -0.47 0.11 0.00 -2.33 0.00 0.00 43.42 41.59 2jnx n LEU 40 CO -0.04 -0.47 0.68 -0.29 -1.33 0.00 0.00 177.39 175.94 2jnx h ILE 41 N 0.00 0.13 0.29 -0.08 2.10 0.14 0.14 117.51 120.23 2jnx h ILE 41 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2jnx h ILE 41 Cb 0.00 0.13 -0.03 0.00 -1.09 0.00 0.00 36.82 35.82 2jnx h ILE 41 CO 0.00 0.00 -0.40 -0.26 -1.08 0.00 0.00 178.15 176.41 2jnx h PHE 42 N -0.00 -1.12 -0.98 2.19 0.04 0.19 1.76 116.94 119.03 2jnx h PHE 42 Ca 0.41 0.02 0.31 0.00 2.80 0.00 0.00 57.97 61.51 2jnx h PHE 42 Cb 0.63 0.45 -0.15 0.00 2.20 0.00 0.00 35.95 39.08 2jnx h PHE 42 CO -0.68 -0.54 0.49 0.87 -0.60 0.00 0.00 178.31 177.85 2jnx h LYS 43 N -0.75 0.26 0.00 1.51 1.79 0.26 1.87 116.57 121.51 2jnx h LYS 43 Ca -0.01 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.23 2jnx h LYS 43 Cb 0.71 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.27 2jnx h LYS 43 CO -0.13 0.17 -1.05 0.00 -1.08 0.00 0.00 179.45 177.36 2jnx h ALA 44 N 1.86 0.38 0.00 3.86 0.00 0.04 -2.86 119.26 122.53 2jnx h ALA 44 Ca 0.71 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jnx h ALA 44 Cb 1.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jnx h ALA 44 CO -0.64 1.27 0.00 1.51 0.00 0.00 0.00 179.25 181.39 2jnx n ILE 45 N -3.33 0.97 0.00 0.00 0.13 0.59 -4.18 119.36 113.54 2jnx n ILE 45 Ca -0.01 0.25 0.00 0.00 -1.10 0.00 0.00 62.75 61.89 2jnx n ILE 45 Cb 0.95 -1.07 0.00 0.00 -0.84 0.00 0.00 39.64 38.67 2jnx n ILE 45 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 2jnx n ASP 46 N -1.75 0.00 -2.33 9.51 -0.08 0.15 -4.86 116.55 117.18 2jnx n ASP 46 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2jnx n ASP 46 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 2jnx n ASP 46 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2jnx n ILE 47 N 0.00 0.00 1.57 5.18 2.08 -1.09 -4.64 119.36 122.46 2jnx n ILE 47 Ca 0.00 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.44 2jnx n ILE 47 Cb 0.00 0.00 0.75 0.00 -0.75 0.00 0.00 39.64 39.64 2jnx n ILE 47 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2jnx n ASP 48 N -1.32 0.00 0.00 4.38 -0.08 -1.26 -4.69 116.55 113.58 2jnx n ASP 48 Ca 0.00 -0.72 0.00 0.00 -1.51 0.00 0.00 54.79 52.56 2jnx n ASP 48 Cb 0.45 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.88 2jnx n ASP 48 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jnx n GLY 49 N 0.65 1.12 0.00 0.27 0.00 -1.26 -5.02 105.19 100.95 2jnx n GLY 49 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2jnx n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jnx n ASN 50 N 0.00 0.00 0.00 1.61 0.23 -1.26 -5.02 115.26 110.82 2jnx n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2jnx n ASN 50 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2jnx n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jnx n GLY 51 N -0.33 0.50 3.57 4.83 0.00 -1.26 -4.85 105.19 107.65 2jnx n GLY 51 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jnx n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jnx s GLU 52 N 0.00 3.75 0.46 1.61 2.02 -1.26 -4.63 118.70 120.65 2jnx s GLU 52 Ca 0.00 -0.09 0.08 0.00 0.02 0.00 0.00 54.97 54.99 2jnx s GLU 52 Cb 0.00 -3.76 0.03 0.00 0.10 0.00 0.00 34.13 30.51 2jnx s GLU 52 CO 0.00 -0.51 0.63 0.42 0.02 0.00 0.00 175.26 175.82 2jnx s ILE 53 N 2.27 2.75 -0.04 -1.63 1.01 0.86 -4.33 121.20 122.08 2jnx s ILE 53 Ca 0.17 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.87 2jnx s ILE 53 Cb -0.16 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2jnx s ILE 53 CO 0.12 0.00 -0.21 -0.62 0.00 0.00 0.00 174.94 174.23 2jnx s ASP 54 N -4.44 2.57 0.46 3.58 -1.08 -1.26 0.19 116.67 116.68 2jnx s ASP 54 Ca 0.57 -0.42 0.39 0.00 -0.52 0.00 0.00 52.55 52.57 2jnx s ASP 54 Cb -0.09 -0.59 1.48 0.00 -1.46 0.00 0.00 42.92 42.26 2jnx s ASP 54 CO 0.35 0.21 1.41 0.18 0.52 0.00 0.00 175.17 177.84 2jnx n LEU 55 N 2.92 0.08 0.43 -1.34 7.99 -1.24 0.16 117.00 126.00 2jnx n LEU 55 Ca -0.17 1.05 -0.18 0.00 -0.01 0.00 0.00 56.01 56.70 2jnx n LEU 55 Cb 0.52 -0.52 -0.09 0.00 -0.11 0.00 0.00 43.42 43.22 2jnx n LEU 55 CO 0.25 -1.10 0.52 0.00 -1.51 0.00 0.00 177.39 175.55 2jnx h ALA 56 N 1.13 -1.10 -0.93 -1.18 0.00 -1.94 0.21 119.26 115.46 2jnx h ALA 56 Ca 0.83 -0.25 0.27 0.00 0.00 0.00 0.00 54.91 55.76 2jnx h ALA 56 Cb 3.06 0.42 -0.15 0.00 0.00 0.00 0.00 17.79 21.13 2jnx h ALA 56 CO -0.19 -1.07 0.33 0.93 0.00 0.00 0.00 179.25 179.26 2jnx h GLU 57 N -1.20 0.22 0.36 0.00 5.08 0.12 1.13 114.58 120.29 2jnx h GLU 57 Ca -0.11 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2jnx h GLU 57 Cb 0.85 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2jnx h GLU 57 CO 0.18 0.15 -0.17 0.35 -1.00 0.00 0.00 179.01 178.52 2jnx h PHE 58 N 0.23 -0.45 0.24 4.33 3.57 -1.16 -0.99 116.94 122.71 2jnx h PHE 58 Ca 0.62 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.11 2jnx h PHE 58 Cb 1.32 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 2jnx h PHE 58 CO -0.19 -0.12 -0.28 1.15 -2.23 0.00 0.00 178.31 176.64 2jnx h THR 59 N -0.84 0.41 -0.53 4.41 2.02 0.13 0.09 112.91 118.60 2jnx h THR 59 Ca -0.05 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.24 2jnx h THR 59 Cb 0.53 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 67.26 2jnx h THR 59 CO 0.08 0.00 -0.06 0.07 0.37 0.00 0.00 175.52 175.98 2jnx h LYS 60 N -0.57 0.05 -0.97 6.66 2.10 0.12 0.23 116.57 124.20 2jnx h LYS 60 Ca -0.00 -0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 2jnx h LYS 60 Cb 0.53 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.78 2jnx h LYS 60 CO -0.08 0.04 0.61 0.74 -2.00 0.00 0.00 179.45 178.75 2jnx h PHE 61 N 0.06 1.11 -0.47 0.07 -1.00 -0.64 0.84 116.94 116.90 2jnx h PHE 61 Ca 0.26 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 61.04 2jnx h PHE 61 Cb 0.41 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2jnx h PHE 61 CO -0.38 0.50 0.14 0.00 -1.61 0.00 0.00 178.31 176.96 2jnx h ALA 62 N 1.49 0.62 0.00 2.45 0.00 0.13 0.24 119.26 124.18 2jnx h ALA 62 Ca 0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jnx h ALA 62 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jnx h ALA 62 CO -0.22 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.30 2jnx h ALA 63 N 1.00 1.00 0.14 0.00 0.00 0.56 0.87 119.26 122.83 2jnx h ALA 63 Ca 0.15 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.78 2jnx h ALA 63 Cb 0.28 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jnx h ALA 63 CO -0.00 0.01 -1.26 0.00 0.00 0.00 0.00 179.25 177.99 2jnx h ALA 64 N 1.99 0.07 0.00 0.00 0.00 0.16 -3.17 119.26 118.32 2jnx h ALA 64 Ca -0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 54.91 53.85 2jnx h ALA 64 Cb 0.65 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jnx h ALA 64 CO 0.00 0.95 -0.90 -0.24 0.00 0.00 0.00 179.25 179.06 2jnx h VAL 65 N 0.08 1.28 -0.75 0.00 3.04 -0.27 -3.26 116.25 116.39 2jnx h VAL 65 Ca -0.14 -2.87 0.03 0.00 -1.01 0.00 0.00 66.70 62.71 2jnx h VAL 65 Cb 1.98 2.62 -0.05 0.00 -2.01 0.00 0.00 31.29 33.84 2jnx h VAL 65 CO 0.21 0.73 0.47 0.50 -1.01 0.00 0.00 177.57 178.47 2jnx h LYS 66 N 0.00 0.90 -6.38 4.17 3.64 -0.87 -3.43 116.57 114.60 2jnx h LYS 66 Ca -0.04 -0.05 -0.63 0.00 -1.27 0.00 0.00 60.65 58.66 2jnx h LYS 66 Cb 1.64 -0.20 0.09 0.00 -0.41 0.00 0.00 32.23 33.35 2jnx h LYS 66 CO 0.10 0.59 0.18 0.39 -2.27 0.00 0.00 179.45 178.45 2jnx n GLU 67 N -4.63 1.21 -2.92 1.90 1.02 -1.20 -4.88 120.64 111.15 2jnx n GLU 67 Ca 0.08 0.43 -0.39 0.00 -0.02 0.00 0.00 57.16 57.26 2jnx n GLU 67 Cb 0.08 -1.85 -0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2jnx n GLU 67 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2jnx n GLN 68 N 1.30 4.52 0.00 3.49 -0.06 -1.26 -4.52 117.38 120.85 2jnx n GLN 68 Ca 0.13 -4.64 0.00 0.00 -2.00 0.00 0.00 57.00 50.49 2jnx n GLN 68 Cb 0.28 -2.45 0.00 0.00 -4.06 0.00 0.00 30.24 24.01 2jnx n GLN 68 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2jnx n ASP 69 N 0.66 0.00 0.04 1.69 -0.08 -1.26 -5.03 116.55 112.56 2jnx n ASP 69 Ca 0.34 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 2jnx n ASP 69 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 2jnx n ASP 69 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2jnx n LEU 70 N 0.00 -0.76 0.23 -2.67 7.94 -1.26 -4.98 117.00 115.49 2jnx n LEU 70 Ca 0.00 0.43 -0.15 0.00 -1.11 0.00 0.00 56.01 55.18 2jnx n LEU 70 Cb 0.00 1.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.88 2jnx n LEU 70 CO 0.00 0.02 0.69 -1.28 -1.11 0.00 0.00 177.39 175.72 2jnx h SER 71 N 0.00 -0.66 -1.00 1.96 0.87 -1.88 -2.79 113.55 110.05 2jnx h SER 71 Ca 0.00 0.04 0.13 0.00 -1.23 0.00 0.00 61.79 60.73 2jnx h SER 71 Cb 0.00 0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 62.02 2jnx h SER 71 CO 0.00 -0.40 -0.48 0.44 -0.53 0.00 0.00 176.83 175.86 2jnx h ASP 72 N -0.62 -1.76 -0.98 6.23 3.32 -1.94 1.56 116.42 122.23 2jnx h ASP 72 Ca -0.04 0.32 0.33 0.00 0.02 0.00 0.00 57.03 57.66 2jnx h ASP 72 Cb 0.53 0.85 -0.17 0.00 0.22 0.00 0.00 39.33 40.75 2jnx h ASP 72 CO 0.02 -0.26 0.30 -0.08 -1.72 0.00 0.00 179.24 177.50 2jnx h GLU 73 N -0.00 0.06 0.17 3.56 4.81 -1.88 0.63 114.58 121.93 2jnx h GLU 73 Ca 0.26 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.27 2jnx h GLU 73 Cb 0.52 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.91 2jnx h GLU 73 CO -0.97 0.04 -0.98 0.87 -0.73 0.00 0.00 179.01 177.24 2jnx h LYS 74 N 0.06 0.37 -0.99 1.92 1.57 0.17 -3.28 116.57 116.39 2jnx h LYS 74 Ca 0.70 -0.62 0.39 0.00 -1.87 0.00 0.00 60.65 59.25 2jnx h LYS 74 Cb 1.65 0.23 -0.18 0.00 0.08 0.00 0.00 32.23 34.01 2jnx h LYS 74 CO -0.80 1.30 0.45 0.28 -0.57 0.00 0.00 179.45 180.10 2jnx n VAL 75 N -4.02 -0.42 0.20 0.50 0.31 0.36 -0.10 118.33 115.17 2jnx n VAL 75 Ca -0.15 2.04 -0.12 0.00 -0.01 0.00 0.00 64.34 66.10 2jnx n VAL 75 Cb 0.89 -3.26 -0.07 0.00 -0.91 0.00 0.00 33.84 30.50 2jnx n VAL 75 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2jnx h GLY 76 N 0.00 -1.08 1.49 2.92 0.00 -1.21 0.89 103.07 106.08 2jnx h GLY 76 Ca 0.80 0.49 0.06 0.00 0.00 0.00 0.00 47.33 48.68 2jnx h GLY 76 CO -0.79 -0.34 0.20 0.17 0.00 0.00 0.00 176.54 175.78 2jnx h LEU 77 N -0.68 0.00 0.34 3.11 -0.00 -0.65 -0.72 115.31 116.70 2jnx h LEU 77 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2jnx h LEU 77 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2jnx h LEU 77 CO -0.04 0.00 -0.16 0.50 -0.00 0.00 0.00 178.44 178.74 2jnx h LYS 78 N 0.00 -0.43 -1.12 0.17 3.64 0.65 0.54 116.57 120.01 2jnx h LYS 78 Ca 0.09 0.03 0.31 0.00 -1.27 0.00 0.00 60.65 59.81 2jnx h LYS 78 Cb 0.49 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 2jnx h LYS 78 CO -0.00 -0.29 0.75 0.82 -2.27 0.00 0.00 179.45 178.46 2jnx h ILE 79 N -0.88 0.43 -0.20 2.00 2.04 0.13 1.17 117.51 122.21 2jnx h ILE 79 Ca -0.05 -0.08 -0.21 0.00 1.00 0.00 0.00 64.86 65.52 2jnx h ILE 79 Cb 0.35 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2jnx h ILE 79 CO 0.08 0.04 -0.69 -0.07 0.00 0.00 0.00 178.15 177.51 2jnx h LEU 80 N 0.24 0.92 -1.60 1.44 3.38 -1.12 -0.42 115.31 118.15 2jnx h LEU 80 Ca 0.62 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jnx h LEU 80 Cb 1.87 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2jnx h LEU 80 CO -0.23 1.36 0.23 0.22 0.09 0.00 0.00 178.44 180.11 2jnx h TYR 81 N 0.57 0.48 0.16 1.13 5.03 0.37 0.78 116.97 125.49 2jnx h TYR 81 Ca -0.03 0.01 -0.21 0.00 2.58 0.00 0.00 58.73 61.08 2jnx h TYR 81 Cb 1.31 -0.16 0.02 0.00 1.55 0.00 0.00 36.73 39.46 2jnx h TYR 81 CO 0.08 0.31 -0.95 1.57 -1.32 0.00 0.00 178.16 177.86 2jnx h LYS 82 N 0.51 0.34 0.00 1.82 5.09 -0.94 -3.15 116.57 120.24 2jnx h LYS 82 Ca 0.14 -0.58 0.00 0.00 0.09 0.00 0.00 60.65 60.30 2jnx h LYS 82 Cb -0.03 0.22 0.00 0.00 0.10 0.00 0.00 32.23 32.51 2jnx h LYS 82 CO -0.03 1.28 0.00 -0.11 -2.09 0.00 0.00 179.45 178.50 2jnx n LEU 83 N -4.05 0.00 -0.57 7.07 0.00 -0.18 -2.78 117.00 116.49 2jnx n LEU 83 Ca -0.15 0.86 0.45 0.00 0.00 0.00 0.00 56.01 57.18 2jnx n LEU 83 Cb 0.87 -0.50 0.69 0.00 0.00 0.00 0.00 43.42 44.49 2jnx n LEU 83 CO 0.50 -0.50 1.35 0.80 0.00 0.00 0.00 177.39 179.55 2jnx n MET 84 N -2.00 0.00 -2.07 1.96 1.56 0.27 -3.55 117.12 113.29 2jnx n MET 84 Ca 0.00 1.00 -0.28 0.00 -0.27 0.00 0.00 57.70 58.16 2jnx n MET 84 Cb 0.00 -2.36 -0.05 0.00 2.15 0.00 0.00 33.22 32.96 2jnx n MET 84 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2jnx s ASP 85 N -3.77 5.16 -0.19 6.12 -1.08 -1.12 -4.56 116.67 117.23 2jnx s ASP 85 Ca -0.04 -1.05 0.17 0.00 -0.52 0.00 0.00 52.55 51.11 2jnx s ASP 85 Cb 0.23 -2.57 -0.23 0.00 -1.46 0.00 0.00 42.92 38.88 2jnx s ASP 85 CO 0.75 -2.80 0.06 0.00 0.52 0.00 0.00 175.17 173.70 2jnx n ALA 86 N 13.91 1.52 -0.09 3.66 0.00 -1.23 -4.08 120.51 134.20 2jnx n ALA 86 Ca 0.42 -1.26 -0.20 0.00 0.00 0.00 0.00 53.44 52.39 2jnx n ALA 86 Cb 0.47 -0.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.64 2jnx n ALA 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jnx n ASP 87 N -2.73 2.02 -0.06 0.00 2.03 -1.26 -4.43 116.55 112.11 2jnx n ASP 87 Ca -0.32 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 54.92 2jnx n ASP 87 Cb 1.12 -0.58 -0.01 0.00 -0.72 0.00 0.00 41.12 40.93 2jnx n ASP 87 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2jnx h GLY 88 N 1.51 0.09 -0.02 0.27 0.00 -1.80 -3.46 103.07 99.65 2jnx h GLY 88 Ca -0.54 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2jnx h GLY 88 CO -0.06 -0.15 -0.01 1.22 0.00 0.00 0.00 176.54 177.54 2jnx n ASP 89 N -5.30 -3.64 0.00 0.19 10.43 -1.26 -3.50 116.55 113.47 2jnx n ASP 89 Ca -0.00 0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.37 2jnx n ASP 89 Cb 0.22 -1.18 0.00 0.00 1.84 0.00 0.00 41.12 42.00 2jnx n ASP 89 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2jnx n GLY 90 N -2.16 2.73 3.28 0.44 0.00 -1.26 -5.11 105.19 103.10 2jnx n GLY 90 Ca -0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 2jnx n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnx s LYS 91 N 0.00 2.81 -0.25 1.61 0.00 -1.23 -4.10 119.74 118.58 2jnx s LYS 91 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 55.97 54.97 2jnx s LYS 91 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 37.83 35.51 2jnx s LYS 91 CO 0.00 0.31 0.38 -0.51 0.00 0.00 0.00 175.35 175.53 2jnx s LEU 92 N 0.02 4.06 0.51 2.77 1.43 0.10 -3.99 118.68 123.58 2jnx s LEU 92 Ca -0.08 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 2jnx s LEU 92 Cb -0.15 -2.44 -0.07 0.00 0.03 0.00 0.00 46.19 43.55 2jnx s LEU 92 CO 0.05 -0.16 1.02 0.42 0.23 0.00 0.00 176.35 177.91 2jnx s THR 93 N 1.90 4.02 0.00 5.49 -4.23 -1.26 0.24 115.64 121.79 2jnx s THR 93 Ca 0.16 1.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 2jnx s THR 93 Cb -0.15 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2jnx s THR 93 CO 0.09 -0.41 0.24 1.17 -0.54 0.00 0.00 174.62 175.18 2jnx n LYS 94 N -1.32 0.00 -0.33 3.99 0.00 -1.10 0.16 118.16 119.56 2jnx n LYS 94 Ca 0.08 0.24 0.01 0.00 0.00 0.00 0.00 58.31 58.65 2jnx n LYS 94 Cb 0.53 -0.46 0.07 0.00 0.00 0.00 0.00 35.03 35.16 2jnx n LYS 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2jnx n GLU 95 N -0.91 -0.16 0.07 1.64 1.02 -1.26 0.11 120.64 121.15 2jnx n GLU 95 Ca 0.00 1.35 -0.09 0.00 -0.02 0.00 0.00 57.16 58.41 2jnx n GLU 95 Cb 0.00 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.36 2jnx n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2jnx h GLU 96 N 0.00 -0.39 0.11 3.49 5.08 0.12 -0.00 114.58 122.99 2jnx h GLU 96 Ca 0.34 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2jnx h GLU 96 Cb 0.56 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2jnx h GLU 96 CO -0.88 -0.26 -0.13 0.28 -1.00 0.00 0.00 179.01 177.02 2jnx h VAL 97 N -0.40 0.00 -0.49 3.13 2.07 0.29 0.66 116.25 121.51 2jnx h VAL 97 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2jnx h VAL 97 Cb 0.40 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.08 2jnx h VAL 97 CO -0.13 0.00 -0.18 0.35 0.02 0.00 0.00 177.57 177.63 2jnx n THR 98 N -3.09 -0.25 0.03 2.57 -2.24 0.29 0.19 114.28 111.79 2jnx n THR 98 Ca -0.03 1.14 -0.13 0.00 -2.27 0.00 0.00 64.05 62.77 2jnx n THR 98 Cb 0.11 -1.53 -0.09 0.00 -2.10 0.00 0.00 70.33 66.73 2jnx n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jnx h THR 99 N 0.00 1.15 0.00 4.28 1.03 -0.57 -1.42 112.91 117.38 2jnx h THR 99 Ca 0.18 -0.91 -0.00 0.00 -0.01 0.00 0.00 66.41 65.67 2jnx h THR 99 Cb 0.31 1.74 -0.00 0.00 -1.07 0.00 0.00 68.15 69.12 2jnx h THR 99 CO -0.49 0.22 -0.00 0.15 -0.01 0.00 0.00 175.52 175.39 2jnx h PHE 100 N -0.53 -0.00 -1.11 0.00 3.57 0.82 1.20 116.94 120.89 2jnx h PHE 100 Ca -0.01 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.80 2jnx h PHE 100 Cb 0.45 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.08 2jnx h PHE 100 CO 0.06 -0.00 0.71 0.74 -2.23 0.00 0.00 178.31 177.59 2jnx h PHE 101 N -0.00 0.62 -0.17 0.41 -1.00 0.86 0.62 116.94 118.28 2jnx h PHE 101 Ca -0.00 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 2jnx h PHE 101 Cb 0.00 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 2jnx h PHE 101 CO 0.01 -0.02 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.23 2jnx h LYS 102 N 0.31 0.47 0.00 1.51 3.64 -0.88 1.06 116.57 122.67 2jnx h LYS 102 Ca 0.65 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 2jnx h LYS 102 Cb 1.79 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.63 2jnx h LYS 102 CO -0.33 0.87 -0.06 0.87 -2.27 0.00 0.00 179.45 178.52 2jnx h LYS 103 N 0.10 0.00 0.06 1.90 1.57 0.66 -1.70 116.57 119.16 2jnx h LYS 103 Ca 0.02 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.51 2jnx h LYS 103 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2jnx h LYS 103 CO 0.06 0.06 -1.50 0.74 -0.57 0.00 0.00 179.45 178.24 2jnx h PHE 104 N 0.00 0.22 0.00 -1.35 0.04 -0.03 -3.48 116.94 112.35 2jnx h PHE 104 Ca -0.00 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2jnx h PHE 104 Cb 0.23 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2jnx h PHE 104 CO 0.00 1.21 0.00 0.41 -0.60 0.00 0.00 178.31 179.33 2jnx n GLY 105 N 1.59 0.78 2.51 -1.45 0.00 0.18 -5.08 105.19 103.73 2jnx n GLY 105 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 2jnx n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jnx n TYR 106 N 0.00 1.16 -0.05 1.61 4.01 0.34 -4.89 117.16 119.34 2jnx n TYR 106 Ca 0.00 -3.18 -0.13 0.00 -0.16 0.00 0.00 57.90 54.42 2jnx n TYR 106 Cb 0.00 -0.37 -0.01 0.00 -0.31 0.00 0.00 39.34 38.64 2jnx n TYR 106 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2jnx h GLU 107 N 2.97 0.76 0.00 -0.72 4.81 -1.82 -2.55 114.58 118.03 2jnx h GLU 107 Ca 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2jnx h GLU 107 Cb 1.07 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2jnx h GLU 107 CO 0.54 1.13 0.00 -0.22 -0.73 0.00 0.00 179.01 179.73 2jnx h LYS 108 N 0.58 0.00 0.14 1.92 3.11 -1.96 -2.12 116.57 118.24 2jnx h LYS 108 Ca 0.00 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.56 2jnx h LYS 108 Cb 1.17 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.41 2jnx h LYS 108 CO 0.12 0.00 -1.26 0.28 -2.81 0.00 0.00 179.45 175.78 2jnx h VAL 109 N 0.00 1.42 -1.60 2.00 2.07 -1.85 -3.24 116.25 115.06 2jnx h VAL 109 Ca 0.00 -2.85 0.51 0.00 0.82 0.00 0.00 66.70 65.18 2jnx h VAL 109 Cb 0.39 2.88 -0.11 0.00 -1.52 0.00 0.00 31.29 32.93 2jnx h VAL 109 CO 0.00 0.84 1.08 0.52 0.02 0.00 0.00 177.57 180.04 2jnx n VAL 110 N -3.62 -0.15 0.24 2.57 0.31 -0.80 0.18 118.33 117.05 2jnx n VAL 110 Ca -0.11 1.65 -0.13 0.00 -0.01 0.00 0.00 64.34 65.75 2jnx n VAL 110 Cb 1.02 -2.73 -0.07 0.00 -0.91 0.00 0.00 33.84 31.15 2jnx n VAL 110 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2jnx h ASP 111 N 0.00 -0.53 0.37 4.52 1.82 -1.70 -0.11 116.42 120.79 2jnx h ASP 111 Ca 0.89 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 57.41 2jnx h ASP 111 Cb 3.17 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 43.31 2jnx h ASP 111 CO -0.28 -0.15 -0.18 1.56 -1.61 0.00 0.00 179.24 178.58 2jnx h GLN 112 N -0.99 0.00 0.30 0.28 7.50 0.11 -0.58 115.11 121.74 2jnx h GLN 112 Ca -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 2jnx h GLN 112 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.12 2jnx h GLN 112 CO 0.11 0.18 -0.14 0.82 -1.50 0.00 0.00 178.83 178.29 2jnx h ILE 113 N 0.00 0.69 -0.02 2.54 1.08 0.20 1.59 117.51 123.60 2jnx h ILE 113 Ca -0.00 -0.62 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 2jnx h ILE 113 Cb 0.41 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 2jnx h ILE 113 CO 0.02 0.12 -0.19 -0.03 -0.69 0.00 0.00 178.15 177.39 2jnx h MET 114 N -0.77 0.03 0.00 2.37 4.05 -0.78 -0.57 114.93 119.26 2jnx h MET 114 Ca -0.04 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2jnx h MET 114 Cb 0.50 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2jnx h MET 114 CO 0.07 0.21 -0.55 1.17 0.23 0.00 0.00 176.91 178.04 2jnx n LYS 115 N -4.31 0.03 0.09 0.39 3.00 -0.24 -4.15 118.16 112.96 2jnx n LYS 115 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.23 2jnx n LYS 115 Cb 0.26 -1.51 -0.03 0.00 0.00 0.00 0.00 35.03 33.74 2jnx n LYS 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jnx h ALA 116 N 2.96 -0.31 -2.50 3.14 0.00 0.39 -3.45 119.26 119.48 2jnx h ALA 116 Ca 0.00 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 2jnx h ALA 116 Cb 0.52 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2jnx h ALA 116 CO 0.00 -0.30 0.01 0.34 0.00 0.00 0.00 179.25 179.30 2jnx s ASP 117 N -5.23 6.86 0.00 0.00 -1.08 -0.94 -4.88 116.67 111.39 2jnx s ASP 117 Ca -0.06 1.21 0.00 0.00 -0.52 0.00 0.00 52.55 53.18 2jnx s ASP 117 Cb 0.00 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 2jnx s ASP 117 CO 0.20 -0.01 0.00 0.00 0.52 0.00 0.00 175.17 175.88 2jnx n ALA 118 N 0.39 0.00 -0.03 3.66 0.00 -1.26 -4.84 120.51 118.43 2jnx n ALA 118 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 2jnx n ALA 118 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 2jnx n ALA 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jnx n ASN 119 N 0.00 0.60 0.00 0.00 0.23 -1.26 -4.99 115.26 109.83 2jnx n ASN 119 Ca 0.00 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 2jnx n ASN 119 Cb 0.00 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 2jnx n ASN 119 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jnx n GLY 120 N 2.60 0.00 1.04 4.83 0.00 -1.26 -5.02 105.19 107.38 2jnx n GLY 120 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2jnx n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jnx n ASP 121 N 0.00 0.52 0.00 1.61 8.00 -1.26 -5.01 116.55 120.41 2jnx n ASP 121 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jnx n ASP 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2jnx n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jnx n GLY 122 N 2.09 0.22 3.08 0.44 0.00 -1.26 -4.93 105.19 104.83 2jnx n GLY 122 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2jnx n GLY 122 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jnx n TYR 123 N -2.27 -0.05 -3.80 1.61 0.18 -1.26 -2.70 117.16 108.86 2jnx n TYR 123 Ca 0.00 -2.46 -0.18 0.00 1.88 0.00 0.00 57.90 57.14 2jnx n TYR 123 Cb 0.24 0.05 -0.17 0.00 -0.38 0.00 0.00 39.34 39.09 2jnx n TYR 123 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2jnx s ILE 124 N -3.03 0.07 0.45 -3.48 1.01 0.65 -4.76 121.20 112.11 2jnx s ILE 124 Ca 0.23 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.12 2jnx s ILE 124 Cb 0.01 -0.22 0.01 0.00 0.01 0.00 0.00 42.46 42.26 2jnx s ILE 124 CO 0.16 0.15 0.65 0.42 0.00 0.00 0.00 174.94 176.33 2jnx s THR 125 N 1.45 3.52 0.16 2.92 -4.23 -1.26 0.00 115.64 118.19 2jnx s THR 125 Ca -0.04 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 59.48 2jnx s THR 125 Cb -0.13 -3.27 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 2jnx s THR 125 CO -0.03 -0.17 1.47 0.18 -0.54 0.00 0.00 174.62 175.54 2jnx n LEU 126 N -2.05 -0.99 -0.06 4.79 4.32 -1.26 -0.68 117.00 121.07 2jnx n LEU 126 Ca 0.04 1.70 -0.11 0.00 -0.02 0.00 0.00 56.01 57.62 2jnx n LEU 126 Cb 0.58 -0.23 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 2jnx n LEU 126 CO 0.45 -1.39 0.50 -0.08 -1.22 0.00 0.00 177.39 175.65 2jnx h GLU 127 N 0.00 -0.33 -0.10 3.23 4.81 -1.94 -0.92 114.58 119.33 2jnx h GLU 127 Ca 0.16 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 2jnx h GLU 127 Cb 0.40 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2jnx h GLU 127 CO -0.90 -0.22 -0.06 -1.91 -0.73 0.00 0.00 179.01 175.19 2jnx n GLU 128 N -4.65 -0.05 -0.24 1.92 2.13 0.14 0.24 120.64 120.13 2jnx n GLU 128 Ca -0.03 0.78 -0.01 0.00 0.66 0.00 0.00 57.16 58.56 2jnx n GLU 128 Cb 0.26 -1.17 0.05 0.00 0.27 0.00 0.00 31.44 30.85 2jnx n GLU 128 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jnx h PHE 129 N 0.00 -0.63 0.00 4.31 -5.15 -0.96 1.75 116.94 116.25 2jnx h PHE 129 Ca 0.02 0.07 -0.01 0.00 -0.20 0.00 0.00 57.97 57.84 2jnx h PHE 129 Cb 0.04 0.38 -0.00 0.00 0.22 0.00 0.00 35.95 36.59 2jnx h PHE 129 CO -0.70 -0.35 -0.07 1.25 -2.00 0.00 0.00 178.31 176.45 2jnx h LEU 130 N -0.06 0.00 -0.31 2.10 6.46 0.14 -1.62 115.31 122.02 2jnx h LEU 130 Ca 0.31 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.96 2jnx h LEU 130 Cb 0.55 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2jnx h LEU 130 CO -0.74 0.07 -0.24 0.00 -0.62 0.00 0.00 178.44 176.90 2jnx h ALA 131 N 1.93 0.45 -0.16 1.25 0.00 1.57 -1.61 119.26 122.68 2jnx h ALA 131 Ca -0.00 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.57 2jnx h ALA 131 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jnx h ALA 131 CO 0.01 0.43 0.12 0.35 0.00 0.00 0.00 179.25 180.16 2jnx h PHE 132 N 0.47 0.00 -2.06 0.00 3.04 -0.01 -3.09 116.94 115.29 2jnx h PHE 132 Ca 0.06 0.00 -0.56 0.00 3.98 0.00 0.00 57.97 61.45 2jnx h PHE 132 Cb 0.80 0.00 -0.40 0.00 2.56 0.00 0.00 35.95 38.91 2jnx h PHE 132 CO 0.07 0.00 -0.96 0.09 -2.02 0.00 0.00 178.31 175.48 2jnx n ASN 133 N -4.39 1.39 -0.73 0.41 3.02 -1.05 -5.13 115.26 108.78 2jnx n ASN 133 Ca 0.01 -2.97 0.09 0.00 -0.03 0.00 0.00 54.58 51.68 2jnx n ASN 133 Cb 0.25 -0.64 0.08 0.00 -0.61 0.00 0.00 39.78 38.86 2jnx n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64