#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmx s ALA 2 N 0.00 3.32 -0.06 3.13 0.00 -1.26 -5.06 121.76 121.83 2jmx s ALA 2 Ca 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 51.96 48.46 2jmx s ALA 2 Cb 0.00 -2.08 0.04 0.00 0.00 0.00 0.00 23.12 21.08 2jmx s ALA 2 CO 0.00 -2.07 0.12 0.21 0.00 0.00 0.00 175.76 174.02 2jmx s LYS 3 N -0.92 0.06 0.17 0.00 2.20 -1.26 -5.16 119.74 114.83 2jmx s LYS 3 Ca 0.24 0.34 0.09 0.00 -0.36 0.00 0.00 55.97 56.28 2jmx s LYS 3 Cb -0.09 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 2jmx s LYS 3 CO -0.12 -0.18 -0.20 -0.51 -0.36 0.00 0.00 175.35 173.98 2jmx s LEU 4 N 1.22 2.42 -0.48 5.43 1.43 -1.26 -5.10 118.68 122.35 2jmx s LEU 4 Ca -0.08 -0.84 0.06 0.00 -1.03 0.00 0.00 54.13 52.23 2jmx s LEU 4 Cb -0.12 -0.94 0.22 0.00 0.03 0.00 0.00 46.19 45.38 2jmx s LEU 4 CO -0.05 0.02 0.52 0.52 0.23 0.00 0.00 176.35 177.59 2jmx n VAL 5 N 0.37 0.02 -3.44 -1.59 0.31 -1.26 -5.02 118.33 107.73 2jmx n VAL 5 Ca -0.14 -4.19 -0.28 0.00 -0.01 0.00 0.00 64.34 59.72 2jmx n VAL 5 Cb 0.56 -1.93 -0.11 0.00 -0.91 0.00 0.00 33.84 31.45 2jmx n VAL 5 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2jmx s ARG 6 N -1.15 0.72 0.47 5.55 3.52 -1.26 -5.13 118.95 121.67 2jmx s ARG 6 Ca 0.34 -1.68 -0.22 0.00 -0.13 0.00 0.00 55.73 54.05 2jmx s ARG 6 Cb 0.11 -1.37 -0.08 0.00 -1.56 0.00 0.00 34.95 32.05 2jmx s ARG 6 CO -0.12 -1.29 1.08 -1.25 -0.81 0.00 0.00 175.30 172.92 2jmx s PRO 7 N 0.62 3.79 0.29 5.12 0.04 -1.26 -5.00 135.00 138.59 2jmx s PRO 7 Ca 0.24 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 2jmx s PRO 7 Cb -0.11 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 2jmx s PRO 7 CO -0.08 -0.47 1.12 -1.25 0.04 0.00 0.00 177.00 176.36 2jmx s PRO 8 N -2.96 4.61 -0.13 0.56 0.04 -1.26 -5.05 135.00 130.82 2jmx s PRO 8 Ca 0.65 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 63.47 2jmx s PRO 8 Cb -0.22 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.20 2jmx s PRO 8 CO 0.26 0.17 0.29 0.14 0.04 0.00 0.00 177.00 177.91 2jmx s VAL 9 N -1.17 -0.10 0.33 -0.36 -7.23 -1.26 -5.04 120.40 105.57 2jmx s VAL 9 Ca 0.45 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 2jmx s VAL 9 Cb -0.33 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.16 2jmx s VAL 9 CO 0.42 0.06 0.00 1.67 -0.31 0.00 0.00 175.10 176.94 2jmx n GLN 10 N 4.42 0.00 -4.46 4.82 0.00 -1.26 -5.04 117.38 115.86 2jmx n GLN 10 Ca -0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 56.52 2jmx n GLN 10 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.64 2jmx n GLN 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2jmx s ILE 11 N -2.00 1.91 0.25 1.69 1.10 -1.26 -4.54 121.20 118.35 2jmx s ILE 11 Ca 0.00 -1.52 0.00 0.00 -0.51 0.00 0.00 60.65 58.62 2jmx s ILE 11 Cb 0.00 -1.70 0.00 0.00 0.15 0.00 0.00 42.46 40.91 2jmx s ILE 11 CO 0.00 0.09 0.00 -1.22 -2.11 0.00 0.00 174.94 171.70 2jmx n TYR 12 N 1.27 -2.15 0.00 3.50 4.02 -1.26 -5.09 117.16 117.45 2jmx n TYR 12 Ca -0.18 0.38 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 2jmx n TYR 12 Cb 0.53 0.56 0.00 0.00 -0.02 0.00 0.00 39.34 40.41 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jmx n GLY 13 N 1.59 -1.33 0.39 2.72 0.00 -1.26 -4.94 105.19 102.36 2jmx n GLY 13 Ca 0.00 0.48 0.17 0.00 0.00 0.00 0.00 46.02 46.67 2jmx n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jmx h ILE 14 N 0.00 0.69 -0.54 -0.61 6.09 -2.01 0.16 117.51 121.29 2jmx h ILE 14 Ca 0.00 -0.18 -0.10 0.00 -1.37 0.00 0.00 64.86 63.21 2jmx h ILE 14 Cb 0.00 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 37.39 2jmx h ILE 14 CO 0.00 0.10 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.78 2jmx h GLU 15 N 0.53 0.98 -0.43 2.19 5.08 -1.98 -2.51 114.58 118.44 2jmx h GLU 15 Ca 0.51 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2jmx h GLU 15 Cb 1.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2jmx h GLU 15 CO -0.24 1.01 -0.00 0.78 -1.00 0.00 0.00 179.01 179.55 2jmx h GLY 16 N 0.97 0.82 1.86 -3.84 0.00 -1.07 -2.52 103.07 99.29 2jmx h GLY 16 Ca 0.15 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2jmx h GLY 16 CO 0.04 0.56 0.05 3.21 0.00 0.00 0.00 176.54 180.40 2jmx h ARG 17 N 0.60 0.00 -0.77 4.80 2.47 -0.93 -1.84 114.38 118.71 2jmx h ARG 17 Ca 0.12 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 2jmx h ARG 17 Cb 0.49 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.78 2jmx h ARG 17 CO 0.02 0.00 0.45 1.88 0.56 0.00 0.00 179.97 182.88 2jmx h TYR 18 N 0.00 1.03 0.09 3.04 -1.99 -1.01 1.16 116.97 119.28 2jmx h TYR 18 Ca 0.03 -0.01 -0.28 0.00 2.00 0.00 0.00 58.73 60.47 2jmx h TYR 18 Cb 0.14 -0.33 0.02 0.00 2.00 0.00 0.00 36.73 38.55 2jmx h TYR 18 CO 0.00 0.70 -1.17 0.00 -0.00 0.00 0.00 178.16 177.69 2jmx h ALA 19 N 1.24 0.09 0.00 3.88 0.00 -1.43 -2.89 119.26 120.14 2jmx h ALA 19 Ca 0.27 -0.77 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2jmx h ALA 19 Cb -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2jmx h ALA 19 CO -0.05 0.75 -0.58 1.79 0.00 0.00 0.00 179.25 181.16 2jmx h THR 20 N 0.26 1.21 0.00 0.00 1.35 -1.09 0.17 112.91 114.81 2jmx h THR 20 Ca -0.16 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 2jmx h THR 20 Cb 1.84 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 70.49 2jmx h THR 20 CO 0.22 0.57 0.00 0.00 -0.25 0.00 0.00 175.52 176.06 2jmx h ALA 21 N 1.42 1.00 0.01 6.62 0.00 0.13 0.88 119.26 129.32 2jmx h ALA 21 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 2jmx h ALA 21 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2jmx h ALA 21 CO 0.08 0.00 -2.38 -0.11 0.00 0.00 0.00 179.25 176.84 2jmx n LEU 22 N -2.95 2.55 0.17 0.00 7.94 -1.09 -4.21 117.00 119.40 2jmx n LEU 22 Ca 0.04 0.09 0.13 0.00 -1.11 0.00 0.00 56.01 55.16 2jmx n LEU 22 Cb 0.48 -0.91 0.43 0.00 0.53 0.00 0.00 43.42 43.95 2jmx n LEU 22 CO 0.32 0.77 0.88 0.10 -1.11 0.00 0.00 177.39 178.36 2jmx h TYR 23 N -0.37 0.00 -0.98 1.96 -0.00 -0.77 -3.13 116.97 113.68 2jmx h TYR 23 Ca -0.59 0.00 0.22 0.00 0.00 0.00 0.00 58.73 58.36 2jmx h TYR 23 Cb 1.79 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 38.43 2jmx h TYR 23 CO 0.00 0.00 0.63 0.66 -0.00 0.00 0.00 178.16 179.45 2jmx h SER 24 N 0.00 0.51 0.05 0.10 4.64 -0.98 1.32 113.55 119.19 2jmx h SER 24 Ca 0.00 0.07 -0.27 0.00 -0.47 0.00 0.00 61.79 61.12 2jmx h SER 24 Cb 0.65 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.74 2jmx h SER 24 CO 0.00 0.16 -1.10 0.00 -0.87 0.00 0.00 176.83 175.03 2jmx h ALA 25 N 1.62 0.06 -0.95 5.18 0.00 -1.78 -3.19 119.26 120.20 2jmx h ALA 25 Ca 0.54 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2jmx h ALA 25 Cb 1.23 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2jmx h ALA 25 CO -0.27 0.66 0.63 0.00 0.00 0.00 0.00 179.25 180.27 2jmx h ALA 26 N 0.34 1.36 -0.99 0.00 0.00 0.16 -1.83 119.26 118.30 2jmx h ALA 26 Ca -0.15 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.79 2jmx h ALA 26 Cb 1.77 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 2jmx h ALA 26 CO 0.21 0.56 0.63 1.03 0.00 0.00 0.00 179.25 181.69 2jmx h SER 27 N 1.23 0.99 -0.70 0.00 0.87 0.14 0.94 113.55 117.01 2jmx h SER 27 Ca 0.37 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 2jmx h SER 27 Cb -0.05 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 2jmx h SER 27 CO -0.10 0.60 0.28 0.11 -0.53 0.00 0.00 176.83 177.19 2jmx h LYS 28 N 1.11 1.07 -0.05 2.24 1.57 -1.34 -2.44 116.57 118.73 2jmx h LYS 28 Ca 0.45 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2jmx h LYS 28 Cb 0.26 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jmx h LYS 28 CO -0.20 0.87 0.00 1.04 -0.57 0.00 0.00 179.45 180.59 2jmx n GLN 29 N -4.29 1.89 -3.13 3.15 6.02 -0.28 -4.95 117.38 115.79 2jmx n GLN 29 Ca 0.06 -1.30 -0.14 0.00 -0.01 0.00 0.00 57.00 55.61 2jmx n GLN 29 Cb 0.18 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 30.03 2jmx n GLN 29 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jmx n ASN 30 N 0.57 -4.20 -0.97 1.08 5.15 0.30 -4.94 115.26 112.25 2jmx n ASN 30 Ca 0.17 -0.35 0.08 0.00 -0.60 0.00 0.00 54.58 53.88 2jmx n ASN 30 Cb 0.43 -3.37 0.24 0.00 -0.53 0.00 0.00 39.78 36.55 2jmx n ASN 30 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2jmx n LYS 31 N -3.26 3.04 -0.27 1.20 4.76 0.21 -4.62 118.16 119.22 2jmx n LYS 31 Ca -0.03 -2.44 0.29 0.00 -2.87 0.00 0.00 58.31 53.25 2jmx n LYS 31 Cb 0.55 -1.54 0.67 0.00 -1.84 0.00 0.00 35.03 32.88 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2jmx h LEU 32 N 2.72 0.13 -0.13 -0.35 3.38 -1.91 0.39 115.31 119.53 2jmx h LEU 32 Ca 0.00 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2jmx h LEU 32 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2jmx h LEU 32 CO 0.08 0.03 -0.31 -0.33 0.09 0.00 0.00 178.44 178.01 2jmx h GLU 33 N 0.12 0.44 0.00 1.13 5.08 -1.97 1.17 114.58 120.56 2jmx h GLU 33 Ca 0.52 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2jmx h GLU 33 Cb 1.82 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 2jmx h GLU 33 CO -0.08 0.91 -0.04 1.96 -1.00 0.00 0.00 179.01 180.76 2jmx h GLN 34 N 0.04 0.00 0.00 2.33 1.08 -0.65 -1.02 115.11 116.90 2jmx h GLN 34 Ca -0.00 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.77 2jmx h GLN 34 Cb 0.91 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.27 2jmx h GLN 34 CO 0.07 0.04 -2.44 0.28 -0.95 0.00 0.00 178.83 175.82 2jmx n VAL 35 N -3.73 1.53 0.09 -0.54 0.31 -0.05 -3.75 118.33 112.19 2jmx n VAL 35 Ca -0.03 -0.42 0.05 0.00 -0.01 0.00 0.00 64.34 63.93 2jmx n VAL 35 Cb 0.13 -1.76 0.48 0.00 -0.91 0.00 0.00 33.84 31.78 2jmx n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2jmx h GLU 36 N -0.70 0.34 0.09 5.55 4.81 0.14 0.19 114.58 125.01 2jmx h GLU 36 Ca -0.64 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.36 2jmx h GLU 36 Cb 1.69 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 31.02 2jmx h GLU 36 CO -0.31 0.26 -0.82 0.87 -0.73 0.00 0.00 179.01 178.28 2jmx h LYS 37 N 0.35 0.39 -0.33 1.92 1.57 -1.35 -2.53 116.57 116.59 2jmx h LYS 37 Ca 0.09 -0.55 -0.17 0.00 -1.87 0.00 0.00 60.65 58.15 2jmx h LYS 37 Cb 0.03 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2jmx h LYS 37 CO -0.01 1.22 -0.46 0.93 -0.57 0.00 0.00 179.45 180.56 2jmx h GLU 38 N -0.17 0.88 -0.88 3.15 3.07 -1.60 -2.99 114.58 116.04 2jmx h GLU 38 Ca -0.13 -0.50 -0.01 0.00 -0.50 0.00 0.00 59.36 58.22 2jmx h GLU 38 Cb 1.58 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.49 2jmx h GLU 38 CO 0.16 1.15 0.52 -0.07 -1.40 0.00 0.00 179.01 179.37 2jmx h LEU 39 N 0.70 1.07 -1.47 1.33 4.07 -0.72 -1.99 115.31 118.31 2jmx h LEU 39 Ca 0.04 -0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.00 2jmx h LEU 39 Cb 1.05 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 42.48 2jmx h LEU 39 CO 0.11 0.83 0.44 0.25 -1.08 0.00 0.00 178.44 178.99 2jmx h LEU 40 N 1.22 0.56 -0.95 1.67 5.85 -1.30 -1.76 115.31 120.60 2jmx h LEU 40 Ca 0.32 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.08 2jmx h LEU 40 Cb -0.03 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2jmx h LEU 40 CO -0.06 0.36 0.62 0.03 -0.34 0.00 0.00 178.44 179.05 2jmx h ARG 41 N 0.63 1.17 -0.81 1.25 2.47 -1.30 -1.67 114.38 116.12 2jmx h ARG 41 Ca 0.30 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 2jmx h ARG 41 Cb 0.34 -0.26 -0.04 0.00 -1.65 0.00 0.00 29.97 28.36 2jmx h ARG 41 CO -0.09 0.78 0.46 0.28 0.56 0.00 0.00 179.97 181.95 2jmx h VAL 42 N 1.21 1.23 -0.30 2.04 2.07 -1.36 0.49 116.25 121.64 2jmx h VAL 42 Ca 0.38 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2jmx h VAL 42 Cb -0.01 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2jmx h VAL 42 CO -0.12 0.25 -0.01 1.23 0.02 0.00 0.00 177.57 178.94 2jmx h GLY 43 N 1.15 0.58 1.17 2.17 0.00 -1.29 -2.40 103.07 104.46 2jmx h GLY 43 Ca 0.29 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2jmx h GLY 43 CO -0.05 0.40 0.09 -1.61 0.00 0.00 0.00 176.54 175.38 2jmx h GLN 44 N 0.32 1.01 -0.81 4.80 4.15 -0.92 0.30 115.11 123.96 2jmx h GLN 44 Ca 0.08 -0.26 0.02 0.00 0.77 0.00 0.00 58.65 59.26 2jmx h GLN 44 Cb 0.46 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2jmx h GLN 44 CO 0.02 0.94 0.53 0.82 -1.93 0.00 0.00 178.83 179.20 2jmx h ILE 45 N 0.95 1.18 0.03 2.39 2.04 -0.76 0.86 117.51 124.20 2jmx h ILE 45 Ca 0.19 -0.37 -0.22 0.00 1.00 0.00 0.00 64.86 65.46 2jmx h ILE 45 Cb 0.42 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2jmx h ILE 45 CO 0.01 0.20 -1.04 0.25 0.00 0.00 0.00 178.15 177.57 2jmx h LEU 46 N 1.07 0.10 -0.52 1.44 5.85 -1.14 -3.23 115.31 118.88 2jmx h LEU 46 Ca 0.30 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 2jmx h LEU 46 Cb -0.09 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2jmx h LEU 46 CO -0.08 1.06 -0.55 0.50 -0.34 0.00 0.00 178.44 179.04 2jmx h LYS 47 N 0.02 0.00 -6.55 1.25 3.11 0.14 -3.36 116.57 111.18 2jmx h LYS 47 Ca -0.04 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 57.21 2jmx h LYS 47 Cb 1.79 0.00 0.10 0.00 -1.00 0.00 0.00 32.23 33.12 2jmx h LYS 47 CO 0.14 0.55 0.36 0.39 -2.81 0.00 0.00 179.45 178.08 2jmx n GLU 48 N -3.47 1.68 0.04 1.90 1.02 0.29 -4.77 120.64 117.34 2jmx n GLU 48 Ca 0.00 0.59 -0.08 0.00 -0.02 0.00 0.00 57.16 57.66 2jmx n GLU 48 Cb 0.65 -2.10 0.08 0.00 -0.02 0.00 0.00 31.44 30.05 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2jmx h PRO 49 N 2.85 0.41 0.09 3.49 0.13 -1.89 0.79 132.00 137.87 2jmx h PRO 49 Ca -0.43 -0.28 -0.26 0.00 -0.87 0.00 0.00 66.00 64.16 2jmx h PRO 49 Cb 1.31 0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.49 2jmx h PRO 49 CO 0.66 0.88 -1.15 -0.22 -0.23 0.00 0.00 178.00 177.94 2jmx h LYS 50 N 0.31 0.37 0.00 0.86 1.63 -1.95 -3.30 116.57 114.49 2jmx h LYS 50 Ca -0.00 -0.53 -0.21 0.00 -0.85 0.00 0.00 60.65 59.06 2jmx h LYS 50 Cb 1.12 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.90 2jmx h LYS 50 CO 0.10 1.21 -1.16 1.98 -3.45 0.00 0.00 179.45 178.13 2jmx h MET 51 N 0.15 0.00 -0.90 1.90 4.05 -1.80 -3.33 114.93 115.01 2jmx h MET 51 Ca -0.13 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.40 2jmx h MET 51 Cb 1.84 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.57 2jmx h MET 51 CO 0.20 0.73 0.58 0.00 0.23 0.00 0.00 176.91 178.65 2jmx h ALA 52 N 1.10 1.68 -0.60 0.39 0.00 0.53 -1.04 119.26 121.33 2jmx h ALA 52 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jmx h ALA 52 Cb 1.77 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2jmx h ALA 52 CO 0.10 0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.63 2jmx h ALA 53 N 1.57 1.15 -0.40 0.00 0.00 -1.67 -0.88 119.26 119.03 2jmx h ALA 53 Ca 0.43 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 2jmx h ALA 53 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jmx h ALA 53 CO -0.19 0.58 -0.32 0.77 0.00 0.00 0.00 179.25 180.09 2jmx h SER 54 N 0.89 0.93 0.77 0.00 0.02 -1.37 0.15 113.55 114.94 2jmx h SER 54 Ca 0.19 -0.39 -0.13 0.00 -0.84 0.00 0.00 61.79 60.62 2jmx h SER 54 Cb 0.30 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2jmx h SER 54 CO -0.00 1.17 -0.63 -0.07 -1.14 0.00 0.00 176.83 176.16 2jmx h LEU 55 N 0.75 0.00 0.00 5.07 3.38 -1.19 -3.24 115.31 120.08 2jmx h LEU 55 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2jmx h LEU 55 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2jmx h LEU 55 CO 0.08 0.63 -1.29 0.25 0.09 0.00 0.00 178.44 178.20 2jmx h LEU 56 N 0.00 0.00 -9.53 1.67 7.12 -1.06 -3.48 115.31 110.03 2jmx h LEU 56 Ca -0.01 0.00 -0.59 0.00 0.13 0.00 0.00 57.88 57.42 2jmx h LEU 56 Cb 1.19 0.00 0.15 0.00 -0.53 0.00 0.00 40.66 41.47 2jmx h LEU 56 CO 0.08 0.46 -0.20 -3.20 -0.13 0.00 0.00 178.44 175.45 2jmx n ASN 57 N -2.86 -0.24 0.00 1.25 4.05 0.51 -4.85 115.26 113.11 2jmx n ASN 57 Ca -0.07 0.86 0.12 0.00 0.45 0.00 0.00 54.58 55.94 2jmx n ASN 57 Cb 0.78 -1.22 0.67 0.00 1.23 0.00 0.00 39.78 41.23 2jmx n ASN 57 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2jmx n PRO 58 N 0.06 0.51 0.06 1.20 -0.04 -1.26 -3.23 135.00 132.30 2jmx n PRO 58 Ca 0.11 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2jmx n PRO 58 Cb 0.43 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2jmx n PRO 58 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jmx n TYR 59 N -1.18 0.53 -2.10 0.54 4.02 -1.26 -4.41 117.16 113.29 2jmx n TYR 59 Ca 0.14 0.15 -0.40 0.00 -0.01 0.00 0.00 57.90 57.78 2jmx n TYR 59 Cb 0.15 -0.64 -0.00 0.00 -0.02 0.00 0.00 39.34 38.83 2jmx n TYR 59 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2jmx n VAL 60 N -2.20 5.27 -0.71 -0.72 0.24 -1.20 -4.96 118.33 114.05 2jmx n VAL 60 Ca 0.02 -4.53 -0.30 0.00 -2.04 0.00 0.00 64.34 57.48 2jmx n VAL 60 Cb 0.47 -2.04 0.14 0.00 -1.47 0.00 0.00 33.84 30.94 2jmx n VAL 60 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2jmx n LYS 61 N 1.69 -1.41 -0.02 7.34 5.02 -1.26 -4.45 118.16 125.07 2jmx n LYS 61 Ca 0.59 -0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 2jmx n LYS 61 Cb 0.26 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 2jmx n LYS 61 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2jmx h ARG 62 N -1.98 0.08 -0.02 1.97 2.43 -1.95 0.22 114.38 115.13 2jmx h ARG 62 Ca -0.44 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.71 2jmx h ARG 62 Cb 1.23 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2jmx h ARG 62 CO 0.30 0.46 -0.10 1.03 -1.51 0.00 0.00 179.97 180.15 2jmx h SER 63 N -0.30 -0.30 -0.67 -3.80 0.87 -1.90 0.23 113.55 107.68 2jmx h SER 63 Ca 0.01 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2jmx h SER 63 Cb 0.44 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 2jmx h SER 63 CO 0.01 -0.14 0.24 0.58 -0.53 0.00 0.00 176.83 176.98 2jmx h VAL 64 N -0.16 1.25 -0.59 2.23 2.07 -1.90 -2.46 116.25 116.68 2jmx h VAL 64 Ca 0.05 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2jmx h VAL 64 Cb 0.22 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2jmx h VAL 64 CO -0.12 0.32 0.29 0.50 0.02 0.00 0.00 177.57 178.58 2jmx h LYS 65 N 0.96 0.83 -0.89 1.57 1.63 -0.42 -1.81 116.57 118.43 2jmx h LYS 65 Ca 0.22 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 2jmx h LYS 65 Cb 0.26 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 31.68 2jmx h LYS 65 CO -0.01 0.64 0.54 0.28 -3.45 0.00 0.00 179.45 177.45 2jmx h VAL 66 N 0.83 1.24 -0.28 2.00 2.07 -0.08 0.51 116.25 122.54 2jmx h VAL 66 Ca 0.21 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 2jmx h VAL 66 Cb 0.08 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2jmx h VAL 66 CO -0.03 0.25 -0.29 0.50 0.02 0.00 0.00 177.57 178.02 2jmx h LYS 67 N 1.22 0.69 -0.47 1.57 3.64 -1.27 -2.51 116.57 119.44 2jmx h LYS 67 Ca 0.32 -0.37 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 2jmx h LYS 67 Cb -0.06 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2jmx h LYS 67 CO -0.06 0.98 -0.08 1.03 -2.27 0.00 0.00 179.45 179.05 2jmx h SER 68 N 0.43 0.82 -0.92 4.20 0.87 -0.96 -2.77 113.55 115.22 2jmx h SER 68 Ca 0.04 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2jmx h SER 68 Cb 0.86 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 2jmx h SER 68 CO 0.07 0.93 0.52 0.25 -0.53 0.00 0.00 176.83 178.08 2jmx h LEU 69 N 0.76 1.13 -0.14 2.23 5.85 0.12 0.20 115.31 125.46 2jmx h LEU 69 Ca 0.13 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jmx h LEU 69 Cb 0.57 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jmx h LEU 69 CO 0.04 0.89 0.07 0.28 -0.34 0.00 0.00 178.44 179.38 2jmx h SER 70 N 1.28 0.18 0.59 1.25 0.02 -1.18 0.71 113.55 116.40 2jmx h SER 70 Ca 0.33 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2jmx h SER 70 Cb -0.01 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2jmx h SER 70 CO -0.06 0.22 -0.33 0.44 -1.14 0.00 0.00 176.83 175.97 2jmx h ASP 71 N 0.12 0.00 0.30 3.07 5.19 -1.26 -2.78 116.42 121.06 2jmx h ASP 71 Ca 0.05 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.16 2jmx h ASP 71 Cb 0.08 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.62 2jmx h ASP 71 CO -0.01 0.33 -1.30 -0.03 -3.12 0.00 0.00 179.24 175.11 2jmx h MET 72 N 0.00 0.51 -0.94 3.56 4.05 -0.07 -3.23 114.93 118.80 2jmx h MET 72 Ca -0.00 -0.75 0.08 0.00 -0.28 0.00 0.00 59.70 58.74 2jmx h MET 72 Cb 0.71 0.26 -0.07 0.00 -0.80 0.00 0.00 31.60 31.71 2jmx h MET 72 CO 0.04 1.34 0.61 1.15 0.23 0.00 0.00 176.91 180.28 2jmx h THR 73 N 0.19 1.03 -0.79 -0.77 2.02 0.62 -0.63 112.91 114.60 2jmx h THR 73 Ca -0.19 -0.35 0.12 0.00 0.77 0.00 0.00 66.41 66.76 2jmx h THR 73 Cb 1.98 -0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 2jmx h THR 73 CO 0.24 0.19 0.52 0.00 0.37 0.00 0.00 175.52 176.83 2jmx h ALA 74 N 1.51 1.89 -0.89 6.16 0.00 -1.51 0.08 119.26 126.49 2jmx h ALA 74 Ca 0.42 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.86 2jmx h ALA 74 Cb 0.27 -0.12 -0.28 0.00 0.00 0.00 0.00 17.79 17.66 2jmx h ALA 74 CO -0.17 -0.08 0.54 1.63 0.00 0.00 0.00 179.25 181.17 2jmx n LYS 75 N -4.51 2.21 -0.59 0.00 5.02 -0.28 -4.37 118.16 115.64 2jmx n LYS 75 Ca 0.14 -3.06 0.04 0.00 -2.02 0.00 0.00 58.31 53.41 2jmx n LYS 75 Cb 0.41 -2.13 0.06 0.00 -0.02 0.00 0.00 35.03 33.36 2jmx n LYS 75 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jmx n GLU 76 N -1.13 0.49 -2.59 1.97 -0.58 0.01 -5.00 120.64 113.80 2jmx n GLU 76 Ca 0.56 -1.83 -0.21 0.00 -0.42 0.00 0.00 57.16 55.26 2jmx n GLU 76 Cb 1.53 -0.78 0.00 0.00 -0.57 0.00 0.00 31.44 31.63 2jmx n GLU 76 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2jmx n LYS 77 N -0.39 -2.68 -4.32 3.49 3.00 -1.24 -4.99 118.16 111.03 2jmx n LYS 77 Ca 0.07 0.97 -0.35 0.00 -0.00 0.00 0.00 58.31 59.00 2jmx n LYS 77 Cb 0.77 -5.70 -0.09 0.00 0.00 0.00 0.00 35.03 30.01 2jmx n LYS 77 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2jmx s PHE 78 N -3.07 3.19 0.00 5.64 0.08 -1.22 -4.90 117.98 117.70 2jmx s PHE 78 Ca 0.09 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.35 2jmx s PHE 78 Cb -0.04 -1.79 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2jmx s PHE 78 CO 0.12 0.49 0.00 0.45 -0.10 0.00 0.00 175.22 176.18 2jmx n SER 79 N 2.04 0.00 0.13 1.36 2.88 -1.26 -4.75 113.62 114.02 2jmx n SER 79 Ca -0.18 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.31 2jmx n SER 79 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 2jmx n SER 79 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jmx h PRO 80 N 0.00 -0.33 -0.21 -1.46 0.13 -1.95 -3.34 132.00 124.85 2jmx h PRO 80 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2jmx h PRO 80 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2jmx h PRO 80 CO 0.00 -0.22 0.00 1.28 -0.23 0.00 0.00 178.00 178.83 2jmx n LEU 81 N -3.27 2.85 -0.05 1.56 4.77 -1.26 -4.56 117.00 117.03 2jmx n LEU 81 Ca -0.04 -2.31 0.01 0.00 -0.03 0.00 0.00 56.01 53.63 2jmx n LEU 81 Cb 0.13 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2jmx n LEU 81 CO 0.10 0.66 0.45 0.41 -1.33 0.00 0.00 177.39 177.68 2jmx n THR 82 N -0.13 0.74 -1.80 -5.08 -1.04 -1.26 -4.57 114.28 101.14 2jmx n THR 82 Ca 0.11 -0.87 -0.32 0.00 -2.04 0.00 0.00 64.05 60.94 2jmx n THR 82 Cb 0.50 0.64 0.04 0.00 -1.82 0.00 0.00 70.33 69.69 2jmx n THR 82 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2jmx n SER 83 N -0.28 6.44 0.19 8.00 2.88 -1.25 -3.86 113.62 125.74 2jmx n SER 83 Ca 0.01 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 2jmx n SER 83 Cb 0.20 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2jmx n ASN 84 N -0.73 -2.33 0.26 -3.46 3.02 -1.26 -4.83 115.26 105.93 2jmx n ASN 84 Ca 0.52 0.70 0.14 0.00 -0.03 0.00 0.00 54.58 55.92 2jmx n ASN 84 Cb 0.68 2.27 0.85 0.00 -0.61 0.00 0.00 39.78 42.97 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2jmx h LEU 85 N 0.00 0.00 -0.82 3.41 5.85 -1.81 -0.79 115.31 121.15 2jmx h LEU 85 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2jmx h LEU 85 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jmx h LEU 85 CO 0.00 0.00 0.14 0.40 -0.34 0.00 0.00 178.44 178.64 2jmx h ILE 86 N 0.00 1.25 0.03 4.05 2.04 -1.88 -2.42 117.51 120.57 2jmx h ILE 86 Ca 0.02 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 64.97 2jmx h ILE 86 Cb 0.13 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2jmx h ILE 86 CO -0.00 0.36 -0.22 -1.13 0.00 0.00 0.00 178.15 177.15 2jmx h ASN 87 N 0.97 -0.65 -0.91 1.72 -0.73 -1.46 -1.12 115.58 113.41 2jmx h ASN 87 Ca 0.20 0.09 0.12 0.00 1.87 0.00 0.00 56.30 58.58 2jmx h ASN 87 Cb 0.36 0.26 -0.08 0.00 0.27 0.00 0.00 38.32 39.13 2jmx h ASN 87 CO 0.00 -0.29 0.54 -0.07 -0.37 0.00 0.00 177.43 177.23 2jmx h LEU 88 N -0.37 0.76 -1.06 0.34 3.38 -1.54 0.61 115.31 117.43 2jmx h LEU 88 Ca 0.05 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2jmx h LEU 88 Cb 0.43 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2jmx h LEU 88 CO -0.18 0.40 0.63 -0.07 0.09 0.00 0.00 178.44 179.31 2jmx h LEU 89 N 0.85 1.05 -3.64 1.67 3.38 -0.79 -1.84 115.31 115.99 2jmx h LEU 89 Ca 0.46 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 58.09 2jmx h LEU 89 Cb 0.48 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 40.79 2jmx h LEU 89 CO -0.28 0.72 0.24 0.00 0.09 0.00 0.00 178.44 179.22 2jmx n ALA 90 N -2.38 4.86 -0.13 1.53 0.00 0.05 -0.21 120.51 124.23 2jmx n ALA 90 Ca 0.13 -3.00 -0.26 0.00 0.00 0.00 0.00 53.44 50.31 2jmx n ALA 90 Cb 0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 2jmx n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jmx n GLU 91 N -1.09 0.54 -0.93 0.00 2.13 0.19 -4.68 120.64 116.81 2jmx n GLU 91 Ca 0.45 0.22 -0.03 0.00 0.66 0.00 0.00 57.16 58.46 2jmx n GLU 91 Cb 1.32 -1.40 0.17 0.00 0.27 0.00 0.00 31.44 31.80 2jmx n GLU 91 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2jmx n ASN 92 N -4.03 2.62 -1.50 4.31 3.02 -1.24 -4.94 115.26 113.50 2jmx n ASN 92 Ca -0.49 -3.85 -0.03 0.00 -0.03 0.00 0.00 54.58 50.18 2jmx n ASN 92 Cb 0.86 -0.54 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 2jmx n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jmx n GLY 93 N -1.05 0.36 1.54 7.41 0.00 -1.26 -4.98 105.19 107.22 2jmx n GLY 93 Ca 0.29 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 2jmx n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmx n ARG 94 N -1.59 2.21 -1.00 1.61 5.12 0.71 -4.55 116.66 119.17 2jmx n ARG 94 Ca -0.04 -3.10 -0.13 0.00 -1.93 0.00 0.00 57.85 52.65 2jmx n ARG 94 Cb 0.53 -1.97 0.20 0.00 -1.16 0.00 0.00 32.46 30.06 2jmx n ARG 94 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2jmx n LEU 95 N -1.00 5.39 -0.05 0.55 7.94 -1.08 -3.96 117.00 124.79 2jmx n LEU 95 Ca 0.41 -3.66 -0.11 0.00 -1.11 0.00 0.00 56.01 51.55 2jmx n LEU 95 Cb 1.25 -0.73 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 2jmx n LEU 95 CO 0.34 1.13 -0.72 0.41 -1.11 0.00 0.00 177.39 177.44 2jmx n THR 96 N -1.06 1.05 -1.41 1.96 -1.04 -1.26 -4.63 114.28 107.87 2jmx n THR 96 Ca 0.45 -0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 62.18 2jmx n THR 96 Cb 1.34 -1.82 0.11 0.00 -1.82 0.00 0.00 70.33 68.13 2jmx n THR 96 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2jmx n ASN 97 N -3.80 5.87 0.06 8.00 3.02 -1.26 -4.69 115.26 122.46 2jmx n ASN 97 Ca -0.19 -3.74 -0.01 0.00 -0.03 0.00 0.00 54.58 50.60 2jmx n ASN 97 Cb 0.52 -0.83 0.28 0.00 -0.61 0.00 0.00 39.78 39.14 2jmx n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmx h THR 98 N 1.16 1.24 -0.52 3.41 1.03 -1.82 -2.99 112.91 114.41 2jmx h THR 98 Ca 0.54 -1.09 -0.08 0.00 -0.01 0.00 0.00 66.41 65.77 2jmx h THR 98 Cb 1.48 1.31 -0.02 0.00 -1.07 0.00 0.00 68.15 69.85 2jmx h THR 98 CO 1.25 0.34 -0.00 1.55 -0.01 0.00 0.00 175.52 178.65 2jmx h PRO 99 N 0.33 0.89 -0.85 0.00 0.13 -1.85 -2.53 132.00 128.13 2jmx h PRO 99 Ca 0.06 -0.25 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 2jmx h PRO 99 Cb 0.55 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 2jmx h PRO 99 CO 0.04 0.88 0.56 0.00 -0.23 0.00 0.00 178.00 179.25 2jmx h ALA 100 N 1.17 1.41 -0.57 -0.56 0.00 -1.86 -1.90 119.26 116.94 2jmx h ALA 100 Ca 0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2jmx h ALA 100 Cb 0.49 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jmx h ALA 100 CO 0.02 0.54 -0.03 0.28 0.00 0.00 0.00 179.25 180.07 2jmx h VAL 101 N 1.13 1.26 -0.53 0.00 2.07 -1.44 -2.85 116.25 115.90 2jmx h VAL 101 Ca 0.31 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 2jmx h VAL 101 Cb -0.11 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2jmx h VAL 101 CO -0.07 0.41 0.12 0.40 0.02 0.00 0.00 177.57 178.45 2jmx h ILE 102 N 0.91 1.22 -0.88 4.57 2.04 -0.98 -2.67 117.51 121.73 2jmx h ILE 102 Ca 0.16 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2jmx h ILE 102 Cb 0.57 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 2jmx h ILE 102 CO 0.03 0.30 0.55 0.28 0.00 0.00 0.00 178.15 179.32 2jmx h SER 103 N 0.78 0.87 -0.55 1.72 0.02 -1.15 -0.58 113.55 114.65 2jmx h SER 103 Ca 0.17 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 2jmx h SER 103 Cb 0.30 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2jmx h SER 103 CO 0.00 0.55 0.37 0.00 -1.14 0.00 0.00 176.83 176.61 2jmx h ALA 104 N 1.42 1.79 -0.67 3.77 0.00 -1.45 -2.02 119.26 122.09 2jmx h ALA 104 Ca 0.39 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.34 2jmx h ALA 104 Cb 0.18 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2jmx h ALA 104 CO -0.18 0.13 0.37 0.35 0.00 0.00 0.00 179.25 179.93 2jmx h PHE 105 N 0.58 0.67 -0.70 0.00 3.04 -1.09 0.27 116.94 119.71 2jmx h PHE 105 Ca 0.23 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.16 2jmx h PHE 105 Cb 0.19 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 2jmx h PHE 105 CO -0.00 0.31 0.25 1.03 -2.02 0.00 0.00 178.31 177.88 2jmx h SER 106 N 0.67 1.00 -0.10 0.41 0.87 -1.36 0.68 113.55 115.72 2jmx h SER 106 Ca 0.31 -0.19 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2jmx h SER 106 Cb 0.21 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2jmx h SER 106 CO -0.19 0.92 -0.51 0.74 -0.53 0.00 0.00 176.83 177.26 2jmx h THR 107 N 1.02 1.30 -0.29 2.23 2.02 -1.23 -2.97 112.91 114.99 2jmx h THR 107 Ca 0.23 -1.72 -0.13 0.00 0.77 0.00 0.00 66.41 65.56 2jmx h THR 107 Cb 0.25 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2jmx h THR 107 CO -0.01 0.55 -0.35 0.24 0.37 0.00 0.00 175.52 176.32 2jmx h MET 108 N 0.52 0.65 -0.76 6.66 2.86 -0.20 -2.98 114.93 121.67 2jmx h MET 108 Ca 0.02 -0.31 0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2jmx h MET 108 Cb 1.07 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.67 2jmx h MET 108 CO 0.10 0.90 0.49 1.98 1.06 0.00 0.00 176.91 181.44 2jmx h MET 109 N 0.54 0.92 -0.55 1.72 -1.53 -0.76 -0.97 114.93 114.31 2jmx h MET 109 Ca 0.06 -0.06 0.11 0.00 -3.44 0.00 0.00 59.70 56.37 2jmx h MET 109 Cb 0.85 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 31.67 2jmx h MET 109 CO 0.07 0.61 0.38 0.66 0.14 0.00 0.00 176.91 178.77 2jmx h SER 110 N 0.95 0.25 1.14 1.39 4.64 -1.37 0.16 113.55 120.71 2jmx h SER 110 Ca 0.30 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2jmx h SER 110 Cb 0.01 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2jmx h SER 110 CO -0.11 0.15 0.00 0.52 -0.87 0.00 0.00 176.83 176.52 2jmx n VAL 111 N -4.45 0.54 0.13 0.95 0.31 -0.39 -3.07 118.33 112.36 2jmx n VAL 111 Ca 0.09 -0.07 0.03 0.00 -0.01 0.00 0.00 64.34 64.38 2jmx n VAL 111 Cb 0.42 -0.72 0.02 0.00 -0.91 0.00 0.00 33.84 32.66 2jmx n VAL 111 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 2jmx h HIS 112 N 0.00 0.00 -0.32 3.52 -0.00 -0.46 -3.25 115.15 114.64 2jmx h HIS 112 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 2jmx h HIS 112 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 2jmx h HIS 112 CO 0.00 0.47 -0.09 -0.09 -0.00 0.00 0.00 177.93 178.22 2jmx h ARG 113 N 0.00 0.52 0.00 5.12 9.65 -1.49 -3.46 114.38 124.72 2jmx h ARG 113 Ca -0.02 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2jmx h ARG 113 Cb 1.37 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 2jmx h ARG 113 CO 0.06 0.62 0.00 0.41 2.80 0.00 0.00 179.97 183.86 2jmx n GLY 114 N -0.69 -0.08 3.68 2.80 0.00 -1.23 -4.87 105.19 104.80 2jmx n GLY 114 Ca 0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2jmx n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jmx n GLU 115 N 0.00 -7.04 -3.98 1.61 2.13 -1.25 -4.97 120.64 107.15 2jmx n GLU 115 Ca 0.00 0.75 -0.31 0.00 0.66 0.00 0.00 57.16 58.26 2jmx n GLU 115 Cb 0.00 -5.75 -0.15 0.00 0.27 0.00 0.00 31.44 25.81 2jmx n GLU 115 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jmx s VAL 116 N -3.30 1.94 0.04 6.31 1.01 -1.18 -4.99 120.40 120.23 2jmx s VAL 116 Ca 0.61 -1.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.52 2jmx s VAL 116 Cb -0.28 -2.31 -0.15 0.00 0.00 0.00 0.00 36.38 33.63 2jmx s VAL 116 CO 0.75 -0.40 1.29 1.55 0.00 0.00 0.00 175.10 178.29 2jmx h PRO 117 N 7.77 0.44 0.00 2.72 0.13 -1.94 -3.37 132.00 137.74 2jmx h PRO 117 Ca -0.11 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2jmx h PRO 117 Cb 1.03 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jmx h PRO 117 CO 0.48 0.88 0.00 0.00 -0.23 0.00 0.00 178.00 179.14 2jmx s THR 119 N -2.00 0.00 0.00 0.00 -1.32 -1.26 -5.23 115.64 105.83 2jmx s THR 119 Ca 0.00 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.89 2jmx s THR 119 Cb 0.00 -2.29 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2jmx s THR 119 CO 0.00 0.00 0.00 0.52 -2.21 0.00 0.00 174.62 172.93