#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 1.09 -0.39 3.13 0.00 -1.26 -5.07 121.76 119.27 2jmx s ALA 2 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2jmx s ALA 2 Cb 0.00 -1.32 0.16 0.00 0.00 0.00 0.00 23.12 21.95 2jmx s ALA 2 CO 0.00 -1.36 0.32 0.15 0.00 0.00 0.00 175.76 174.87 2jmx s LYS 3 N 1.83 0.73 0.24 0.00 1.02 -1.26 -5.13 119.74 117.17 2jmx s LYS 3 Ca 0.03 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.49 2jmx s LYS 3 Cb -0.17 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2jmx s LYS 3 CO -0.16 -1.29 0.04 1.28 -0.92 0.00 0.00 175.35 174.30 2jmx n LEU 4 N 3.54 0.00 -2.86 3.17 4.32 -1.26 -5.09 117.00 118.83 2jmx n LEU 4 Ca 0.19 -1.45 -0.19 0.00 -0.02 0.00 0.00 56.01 54.54 2jmx n LEU 4 Cb 0.44 0.13 -0.01 0.00 -1.62 0.00 0.00 43.42 42.36 2jmx n LEU 4 CO 0.10 -0.25 -0.04 0.55 -1.22 0.00 0.00 177.39 176.52 2jmx n VAL 5 N -0.69 1.29 -4.65 4.08 3.14 -1.26 -5.08 118.33 115.16 2jmx n VAL 5 Ca -0.08 -4.41 -0.26 0.00 -2.96 0.00 0.00 64.34 56.63 2jmx n VAL 5 Cb 0.30 -0.40 -0.14 0.00 -1.06 0.00 0.00 33.84 32.53 2jmx n VAL 5 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2jmx s ARG 6 N -3.04 1.44 0.13 1.45 0.52 -1.26 -5.11 118.95 113.07 2jmx s ARG 6 Ca 0.40 -1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 2jmx s ARG 6 Cb 0.38 -1.59 -0.07 0.00 0.52 0.00 0.00 34.95 34.19 2jmx s ARG 6 CO -0.08 0.40 1.18 -1.25 0.02 0.00 0.00 175.30 175.57 2jmx s PRO 7 N -1.28 4.49 0.14 3.54 0.04 -1.26 -5.00 135.00 135.66 2jmx s PRO 7 Ca 0.08 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2jmx s PRO 7 Cb -0.09 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.09 2jmx s PRO 7 CO 0.02 -0.13 1.17 -1.25 0.04 0.00 0.00 177.00 176.86 2jmx s PRO 8 N 0.29 4.50 -0.14 0.56 0.04 -1.26 -5.03 135.00 133.96 2jmx s PRO 8 Ca 0.55 1.79 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 2jmx s PRO 8 Cb -0.31 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.01 2jmx s PRO 8 CO 0.33 -0.11 0.30 0.14 0.04 0.00 0.00 177.00 177.71 2jmx s VAL 9 N 0.31 -0.37 -0.29 -0.36 -7.23 -1.26 -5.15 120.40 106.06 2jmx s VAL 9 Ca 0.54 0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.76 2jmx s VAL 9 Cb -0.31 -0.49 0.16 0.00 0.56 0.00 0.00 36.38 36.30 2jmx s VAL 9 CO 0.33 0.09 1.07 0.00 -0.31 0.00 0.00 175.10 176.28 2jmx s GLN 10 N 2.18 0.31 0.34 4.82 -2.07 -1.26 -5.09 119.66 118.89 2jmx s GLN 10 Ca -0.02 0.50 0.00 0.00 -1.82 0.00 0.00 55.36 54.02 2jmx s GLN 10 Cb -0.11 0.08 0.00 0.00 -1.09 0.00 0.00 33.01 31.88 2jmx s GLN 10 CO -0.10 -0.06 0.00 -0.89 -1.32 0.00 0.00 175.29 172.92 2jmx n ILE 11 N 3.30 -8.31 0.15 3.63 -0.00 -1.26 -5.06 119.36 111.80 2jmx n ILE 11 Ca -0.17 2.99 0.00 0.00 -0.00 0.00 0.00 62.75 65.57 2jmx n ILE 11 Cb 0.57 -4.18 0.00 0.00 -0.00 0.00 0.00 39.64 36.03 2jmx n ILE 11 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 2jmx n TYR 12 N 0.97 -2.66 0.00 1.39 4.02 -1.26 -5.02 117.16 114.59 2jmx n TYR 12 Ca 0.00 0.56 0.00 0.00 -0.01 0.00 0.00 57.90 58.45 2jmx n TYR 12 Cb 0.00 1.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.33 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 1.11 -1.94 0.37 2.72 0.00 -1.26 -4.91 105.19 101.27 2jmx n GLY 13 Ca 0.00 0.82 0.11 0.00 0.00 0.00 0.00 46.02 46.95 2jmx n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jmx h ILE 14 N 0.00 0.81 -0.45 -0.61 1.08 -2.01 0.99 117.51 117.32 2jmx h ILE 14 Ca 0.00 -0.28 -0.10 0.00 -0.39 0.00 0.00 64.86 64.09 2jmx h ILE 14 Cb 0.00 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.67 2jmx h ILE 14 CO 0.00 0.15 -0.14 -0.33 -0.69 0.00 0.00 178.15 177.14 2jmx h GLU 15 N 0.80 0.84 -0.01 2.37 5.08 -1.97 0.84 114.58 122.52 2jmx h GLU 15 Ca 0.51 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2jmx h GLU 15 Cb 0.74 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jmx h GLU 15 CO -0.28 0.93 -0.09 0.78 -1.00 0.00 0.00 179.01 179.34 2jmx h GLY 16 N 0.97 0.08 1.92 -3.84 0.00 -1.13 -3.15 103.07 97.92 2jmx h GLY 16 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2jmx h GLY 16 CO 0.05 0.11 -0.10 3.21 0.00 0.00 0.00 176.54 179.81 2jmx h ARG 17 N -0.61 0.10 -0.99 4.80 2.47 0.94 -2.19 114.38 118.91 2jmx h ARG 17 Ca -0.01 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.78 2jmx h ARG 17 Cb 0.80 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.04 2jmx h ARG 17 CO 0.02 0.21 0.63 1.88 0.56 0.00 0.00 179.97 183.27 2jmx h TYR 18 N 0.10 1.15 0.22 3.04 -1.99 0.75 1.25 116.97 121.48 2jmx h TYR 18 Ca 0.02 0.03 -0.32 0.00 2.00 0.00 0.00 58.73 60.46 2jmx h TYR 18 Cb 0.24 -0.37 0.03 0.00 2.00 0.00 0.00 36.73 38.63 2jmx h TYR 18 CO 0.00 0.54 -1.43 0.00 -0.00 0.00 0.00 178.16 177.27 2jmx h ALA 19 N 1.50 -0.09 0.00 3.88 0.00 -1.43 -3.07 119.26 120.05 2jmx h ALA 19 Ca 0.45 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2jmx h ALA 19 Cb 0.30 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jmx h ALA 19 CO -0.20 0.78 -0.35 1.79 0.00 0.00 0.00 179.25 181.27 2jmx h THR 20 N 0.13 0.70 0.00 0.00 1.35 -0.83 0.49 112.91 114.74 2jmx h THR 20 Ca -0.23 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 2jmx h THR 20 Cb 2.12 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 2jmx h THR 20 CO 0.26 0.34 -0.05 0.00 -0.25 0.00 0.00 175.52 175.81 2jmx h ALA 21 N 1.65 0.97 0.02 6.62 0.00 0.15 0.31 119.26 128.98 2jmx h ALA 21 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.51 2jmx h ALA 21 Cb 1.03 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2jmx h ALA 21 CO 0.04 0.00 -2.34 -0.11 0.00 0.00 0.00 179.25 176.84 2jmx n LEU 22 N -2.99 2.63 0.14 0.00 7.94 -1.15 -4.23 117.00 119.34 2jmx n LEU 22 Ca 0.04 0.06 0.13 0.00 -1.11 0.00 0.00 56.01 55.13 2jmx n LEU 22 Cb 0.52 -0.93 0.39 0.00 0.53 0.00 0.00 43.42 43.94 2jmx n LEU 22 CO 0.34 0.80 0.88 0.10 -1.11 0.00 0.00 177.39 178.40 2jmx h TYR 23 N -0.28 0.00 -0.98 1.96 -0.00 -1.02 -3.21 116.97 113.44 2jmx h TYR 23 Ca -0.57 0.00 0.21 0.00 0.00 0.00 0.00 58.73 58.37 2jmx h TYR 23 Cb 1.82 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 38.46 2jmx h TYR 23 CO 0.02 0.00 0.62 1.03 -0.00 0.00 0.00 178.16 179.82 2jmx h SER 24 N 0.00 0.62 0.16 0.10 0.87 -1.10 1.27 113.55 115.47 2jmx h SER 24 Ca 0.00 0.08 -0.29 0.00 -1.23 0.00 0.00 61.79 60.35 2jmx h SER 24 Cb 0.71 -0.03 0.03 0.00 -0.44 0.00 0.00 62.40 62.66 2jmx h SER 24 CO 0.00 0.21 -1.20 0.00 -0.53 0.00 0.00 176.83 175.31 2jmx h ALA 25 N 1.63 0.05 -0.72 6.23 0.00 -1.80 -3.19 119.26 121.46 2jmx h ALA 25 Ca 0.55 -0.76 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2jmx h ALA 25 Cb 1.09 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2jmx h ALA 25 CO -0.31 0.72 0.48 0.00 0.00 0.00 0.00 179.25 180.13 2jmx h ALA 26 N 0.36 1.53 -0.89 0.00 0.00 -0.09 -1.87 119.26 118.29 2jmx h ALA 26 Ca -0.17 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jmx h ALA 26 Cb 1.87 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 2jmx h ALA 26 CO 0.23 0.42 0.56 0.66 0.00 0.00 0.00 179.25 181.11 2jmx h SER 27 N 0.93 0.87 -0.62 0.00 4.64 0.13 0.96 113.55 120.45 2jmx h SER 27 Ca 0.28 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 2jmx h SER 27 Cb -0.03 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 2jmx h SER 27 CO -0.07 0.55 0.19 0.50 -0.87 0.00 0.00 176.83 177.13 2jmx h LYS 28 N 1.00 1.01 -0.01 4.77 1.63 -1.39 -2.41 116.57 121.16 2jmx h LYS 28 Ca 0.40 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2jmx h LYS 28 Cb 0.20 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2jmx h LYS 28 CO -0.18 0.87 -0.12 1.04 -3.45 0.00 0.00 179.45 177.60 2jmx n GLN 29 N -4.26 1.24 -3.08 1.90 6.02 -0.36 -4.95 117.38 113.90 2jmx n GLN 29 Ca 0.05 -0.72 -0.13 0.00 -0.01 0.00 0.00 57.00 56.19 2jmx n GLN 29 Cb 0.23 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.05 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 -0.25 -4.07 -0.94 1.08 5.15 0.31 -4.95 115.26 111.59 2jmx n ASN 30 Ca 0.16 -0.32 0.08 0.00 -0.60 0.00 0.00 54.58 53.90 2jmx n ASN 30 Cb 0.35 -3.12 0.22 0.00 -0.53 0.00 0.00 39.78 36.70 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 -3.05 2.80 -0.30 1.20 4.01 0.04 -4.60 118.16 118.26 2jmx n LYS 31 Ca -0.03 -2.30 0.29 0.00 -0.51 0.00 0.00 58.31 55.76 2jmx n LYS 31 Cb 0.55 -1.40 0.66 0.00 -0.51 0.00 0.00 35.03 34.33 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2jmx h LEU 32 N 3.00 0.17 -0.18 -0.35 3.38 -1.91 0.65 115.31 120.06 2jmx h LEU 32 Ca 0.00 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2jmx h LEU 32 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2jmx h LEU 32 CO 0.00 0.03 -0.35 -0.33 0.09 0.00 0.00 178.44 177.88 2jmx h GLU 33 N 0.15 0.55 0.00 1.13 4.39 -1.97 1.13 114.58 119.96 2jmx h GLU 33 Ca 0.55 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2jmx h GLU 33 Cb 1.88 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 30.57 2jmx h GLU 33 CO -0.12 0.96 -0.07 1.96 -1.16 0.00 0.00 179.01 180.59 2jmx h GLN 34 N 0.20 0.00 0.00 2.33 4.20 -0.14 -1.52 115.11 120.19 2jmx h GLN 34 Ca 0.01 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 2jmx h GLN 34 Cb 0.95 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.66 2jmx h GLN 34 CO 0.08 0.07 -2.49 0.28 -0.67 0.00 0.00 178.83 176.10 2jmx n VAL 35 N -3.89 1.50 0.03 -0.54 0.31 0.19 -3.72 118.33 112.21 2jmx n VAL 35 Ca -0.02 -0.54 -0.02 0.00 -0.01 0.00 0.00 64.34 63.75 2jmx n VAL 35 Cb 0.16 -1.50 0.24 0.00 -0.91 0.00 0.00 33.84 31.83 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 -0.17 0.44 0.19 5.55 4.81 0.13 -0.22 114.58 125.31 2jmx h GLU 36 Ca -0.60 -0.15 -0.32 0.00 -0.13 0.00 0.00 59.36 58.16 2jmx h GLU 36 Cb 1.85 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 31.21 2jmx h GLU 36 CO -0.15 0.63 -1.51 -0.22 -0.73 0.00 0.00 179.01 177.02 2jmx h LYS 37 N 0.40 0.39 -0.09 1.92 3.11 -1.44 -3.19 116.57 117.68 2jmx h LYS 37 Ca 0.07 -0.67 -0.22 0.00 -2.81 0.00 0.00 60.65 57.01 2jmx h LYS 37 Cb 0.58 0.25 0.01 0.00 -1.00 0.00 0.00 32.23 32.07 2jmx h LYS 37 CO 0.04 1.30 -0.84 0.93 -2.81 0.00 0.00 179.45 178.06 2jmx h GLU 38 N 0.11 0.64 -0.77 1.90 3.07 -1.63 -3.08 114.58 114.81 2jmx h GLU 38 Ca -0.25 -0.57 0.10 0.00 -0.50 0.00 0.00 59.36 58.14 2jmx h GLU 38 Cb 2.08 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 30.08 2jmx h GLU 38 CO 0.21 1.18 0.51 -0.07 -1.40 0.00 0.00 179.01 179.44 2jmx h LEU 39 N 0.41 0.62 -1.47 1.33 3.38 -1.15 -0.52 115.31 117.91 2jmx h LEU 39 Ca -0.07 0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2jmx h LEU 39 Cb 1.47 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2jmx h LEU 39 CO 0.16 0.37 0.43 0.25 0.09 0.00 0.00 178.44 179.74 2jmx h LEU 40 N 0.69 0.56 -0.94 1.67 5.85 -1.52 -1.72 115.31 119.90 2jmx h LEU 40 Ca 0.36 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.13 2jmx h LEU 40 Cb 0.47 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2jmx h LEU 40 CO -0.13 0.36 0.60 0.03 -0.34 0.00 0.00 178.44 178.96 2jmx h ARG 41 N 0.63 1.10 -0.88 1.25 2.47 -1.17 -1.20 114.38 116.57 2jmx h ARG 41 Ca 0.28 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2jmx h ARG 41 Cb 0.30 -0.25 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 2jmx h ARG 41 CO -0.09 0.73 0.54 0.28 0.56 0.00 0.00 179.97 181.99 2jmx h VAL 42 N 1.13 1.24 -0.18 2.04 2.07 -1.37 -0.48 116.25 120.70 2jmx h VAL 42 Ca 0.39 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2jmx h VAL 42 Cb 0.10 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2jmx h VAL 42 CO -0.15 0.25 0.00 1.23 0.02 0.00 0.00 177.57 178.92 2jmx h GLY 43 N 1.23 0.34 1.04 2.17 0.00 -1.23 -2.47 103.07 104.14 2jmx h GLY 43 Ca 0.32 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.44 2jmx h GLY 43 CO -0.06 0.23 0.57 1.46 0.00 0.00 0.00 176.54 178.73 2jmx h GLN 44 N 0.07 1.05 -0.83 4.80 1.08 -0.83 0.43 115.11 120.88 2jmx h GLN 44 Ca 0.05 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2jmx h GLN 44 Cb 0.38 -0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 2jmx h GLN 44 CO 0.01 0.69 0.47 0.82 -0.95 0.00 0.00 178.83 179.87 2jmx h ILE 45 N 1.08 1.24 0.10 2.54 2.04 -0.86 0.90 117.51 124.54 2jmx h ILE 45 Ca 0.34 -0.58 -0.27 0.00 1.00 0.00 0.00 64.86 65.36 2jmx h ILE 45 Cb 0.02 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.23 2jmx h ILE 45 CO -0.10 0.26 -1.17 0.25 0.00 0.00 0.00 178.15 177.40 2jmx h LEU 46 N 1.15 0.56 -0.95 1.44 6.46 -0.86 -3.19 115.31 119.92 2jmx h LEU 46 Ca 0.29 -0.54 -0.09 0.00 -0.12 0.00 0.00 57.88 57.43 2jmx h LEU 46 Cb 0.01 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.75 2jmx h LEU 46 CO -0.05 1.38 -0.41 0.50 -0.62 0.00 0.00 178.44 179.24 2jmx h LYS 47 N 0.16 0.00 -6.52 1.25 3.64 0.16 -3.33 116.57 111.93 2jmx h LYS 47 Ca -0.14 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.64 2jmx h LYS 47 Cb 1.85 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.77 2jmx h LYS 47 CO 0.20 0.41 0.39 0.39 -2.27 0.00 0.00 179.45 178.57 2jmx n GLU 48 N -3.62 1.66 0.13 1.90 -0.58 0.31 -4.76 120.64 115.68 2jmx n GLU 48 Ca -0.01 0.59 -0.02 0.00 -0.42 0.00 0.00 57.16 57.31 2jmx n GLU 48 Cb 0.51 -2.12 0.19 0.00 -0.57 0.00 0.00 31.44 29.45 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2jmx h PRO 49 N 3.19 0.06 0.10 3.49 0.13 -1.89 0.86 132.00 137.95 2jmx h PRO 49 Ca -0.43 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.40 2jmx h PRO 49 Cb 1.31 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jmx h PRO 49 CO 0.68 0.62 -1.20 -0.22 -0.23 0.00 0.00 178.00 177.66 2jmx h LYS 50 N 0.05 0.21 0.00 0.86 3.11 -1.94 -3.34 116.57 115.52 2jmx h LYS 50 Ca -0.00 -0.35 -0.20 0.00 -2.81 0.00 0.00 60.65 57.29 2jmx h LYS 50 Cb 1.02 0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 32.35 2jmx h LYS 50 CO 0.08 1.16 -1.52 -0.12 -2.81 0.00 0.00 179.45 176.24 2jmx n MET 51 N -3.48 0.63 -0.30 1.90 1.56 -1.19 -4.13 117.12 112.10 2jmx n MET 51 Ca -0.07 0.22 0.07 0.00 -0.27 0.00 0.00 57.70 57.66 2jmx n MET 51 Cb 1.00 -1.79 0.29 0.00 2.15 0.00 0.00 33.22 34.88 2jmx n MET 51 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jmx h ALA 52 N 1.34 1.63 -0.55 -5.12 0.00 0.66 -0.45 119.26 116.77 2jmx h ALA 52 Ca -0.20 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jmx h ALA 52 Cb 1.68 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2jmx h ALA 52 CO 0.05 0.18 0.37 0.00 0.00 0.00 0.00 179.25 179.85 2jmx h ALA 53 N 1.55 1.90 0.00 0.00 0.00 -1.72 0.33 119.26 121.32 2jmx h ALA 53 Ca 0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2jmx h ALA 53 Cb 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jmx h ALA 53 CO -0.19 -0.00 -0.06 1.03 0.00 0.00 0.00 179.25 180.03 2jmx h SER 54 N 0.48 0.00 0.02 0.00 0.87 -1.32 -2.62 113.55 110.98 2jmx h SER 54 Ca 0.24 -0.80 -0.00 0.00 -1.23 0.00 0.00 61.79 59.99 2jmx h SER 54 Cb 0.35 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2jmx h SER 54 CO -0.07 0.94 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.08 2jmx h LEU 55 N -1.00 0.00 -2.89 2.23 3.38 -1.26 -1.99 115.31 113.78 2jmx h LEU 55 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jmx h LEU 55 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2jmx h LEU 55 CO -0.01 0.02 0.00 -0.11 0.09 0.00 0.00 178.44 178.43 2jmx n LEU 56 N -4.35 4.16 -4.92 1.67 0.00 0.09 -4.97 117.00 108.69 2jmx n LEU 56 Ca -0.03 -2.15 -0.30 0.00 0.00 0.00 0.00 56.01 53.53 2jmx n LEU 56 Cb 0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 43.42 42.98 2jmx n LEU 56 CO 0.33 0.92 -0.08 0.20 0.00 0.00 0.00 177.39 178.76 2jmx s ASN 57 N -0.98 6.40 0.00 1.96 -0.87 -0.75 -4.99 114.94 115.71 2jmx s ASN 57 Ca 0.48 0.36 0.29 0.00 -1.57 0.00 0.00 52.86 52.43 2jmx s ASN 57 Cb 0.27 -2.00 1.64 0.00 -0.02 0.00 0.00 41.25 41.14 2jmx s ASN 57 CO 0.30 0.11 2.07 -0.81 -2.57 0.00 0.00 177.10 176.19 2jmx n PRO 58 N 0.08 1.14 -0.02 -0.60 -0.04 -1.26 -3.77 135.00 130.53 2jmx n PRO 58 Ca -0.04 -0.20 -0.19 0.00 -0.04 0.00 0.00 63.50 63.03 2jmx n PRO 58 Cb 0.52 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.74 1.01 0.25 0.54 4.01 -1.26 -4.08 117.16 116.89 2jmx n TYR 59 Ca 0.22 0.23 0.17 0.00 -0.16 0.00 0.00 57.90 58.36 2jmx n TYR 59 Cb 0.15 -1.14 0.88 0.00 -0.31 0.00 0.00 39.34 38.93 2jmx n TYR 59 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 2jmx h VAL 60 N 0.05 0.41 -2.98 -0.72 -1.51 -1.81 -3.48 116.25 106.21 2jmx h VAL 60 Ca -0.43 0.00 0.32 0.00 -1.23 0.00 0.00 66.70 65.36 2jmx h VAL 60 Cb 2.02 0.88 -0.08 0.00 -2.13 0.00 0.00 31.29 31.98 2jmx h VAL 60 CO 0.06 0.00 -0.42 1.17 -1.23 0.00 0.00 177.57 177.15 2jmx n LYS 61 N -3.69 -2.34 -0.10 5.19 4.81 -1.26 -3.21 118.16 117.55 2jmx n LYS 61 Ca -0.00 1.54 -0.19 0.00 -0.87 0.00 0.00 58.31 58.79 2jmx n LYS 61 Cb 0.25 -2.86 -0.06 0.00 0.02 0.00 0.00 35.03 32.38 2jmx n LYS 61 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2jmx n ARG 62 N -3.81 0.49 -0.32 1.64 1.74 -1.26 -3.70 116.66 111.45 2jmx n ARG 62 Ca 0.01 0.21 0.02 0.00 -0.77 0.00 0.00 57.85 57.31 2jmx n ARG 62 Cb 0.53 -1.34 0.15 0.00 -1.02 0.00 0.00 32.46 30.79 2jmx n ARG 62 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2jmx h SER 63 N -0.86 0.85 -0.47 0.55 0.02 -1.86 -0.64 113.55 111.12 2jmx h SER 63 Ca -0.38 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.49 2jmx h SER 63 Cb 1.28 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2jmx h SER 63 CO -0.23 0.53 -0.09 0.58 -1.14 0.00 0.00 176.83 176.48 2jmx h VAL 64 N 0.97 1.27 -0.65 2.27 2.07 -1.80 -2.82 116.25 117.57 2jmx h VAL 64 Ca 0.39 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2jmx h VAL 64 Cb 0.21 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2jmx h VAL 64 CO -0.19 0.42 0.43 0.11 0.02 0.00 0.00 177.57 178.36 2jmx h LYS 65 N 0.75 0.85 -0.97 1.57 1.79 -1.25 -2.04 116.57 117.27 2jmx h LYS 65 Ca 0.12 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2jmx h LYS 65 Cb 0.64 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.04 2jmx h LYS 65 CO 0.04 0.57 0.63 0.28 -1.08 0.00 0.00 179.45 179.89 2jmx h VAL 66 N 0.88 1.16 -0.54 0.50 2.07 -0.89 0.10 116.25 119.52 2jmx h VAL 66 Ca 0.24 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2jmx h VAL 66 Cb -0.10 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.48 2jmx h VAL 66 CO -0.05 0.22 0.03 0.11 0.02 0.00 0.00 177.57 177.90 2jmx h LYS 67 N 1.22 0.94 -0.64 1.57 1.79 -1.35 -1.62 116.57 118.49 2jmx h LYS 67 Ca 0.39 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 2jmx h LYS 67 Cb 0.02 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2jmx h LYS 67 CO -0.13 0.94 0.12 1.03 -1.08 0.00 0.00 179.45 180.33 2jmx h SER 68 N 0.82 1.00 -0.64 0.86 0.87 -1.09 -1.83 113.55 113.54 2jmx h SER 68 Ca 0.16 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2jmx h SER 68 Cb 0.49 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2jmx h SER 68 CO 0.02 1.00 0.26 -0.07 -0.53 0.00 0.00 176.83 177.51 2jmx h LEU 69 N 0.96 0.88 -0.56 2.23 3.38 -0.80 -1.30 115.31 120.11 2jmx h LEU 69 Ca 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jmx h LEU 69 Cb 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2jmx h LEU 69 CO 0.01 0.81 0.26 0.28 0.09 0.00 0.00 178.44 179.89 2jmx h SER 70 N 0.90 0.74 0.79 -0.43 0.02 -1.06 0.71 113.55 115.22 2jmx h SER 70 Ca 0.21 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2jmx h SER 70 Cb 0.20 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jmx h SER 70 CO -0.02 0.67 0.00 0.44 -1.14 0.00 0.00 176.83 176.78 2jmx h ASP 71 N 0.76 0.00 0.09 3.07 5.19 -1.03 -2.34 116.42 122.16 2jmx h ASP 71 Ca 0.19 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.31 2jmx h ASP 71 Cb 0.14 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 2jmx h ASP 71 CO -0.02 0.00 -1.52 -0.03 -3.12 0.00 0.00 179.24 174.54 2jmx h MET 72 N 0.00 0.19 -0.86 3.56 4.05 -0.31 -3.32 114.93 118.24 2jmx h MET 72 Ca 0.00 -0.32 0.11 0.00 -0.28 0.00 0.00 59.70 59.21 2jmx h MET 72 Cb 0.40 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.25 2jmx h MET 72 CO 0.00 1.15 0.56 1.15 0.23 0.00 0.00 176.91 180.00 2jmx h THR 73 N -0.38 0.93 -0.84 -0.77 2.02 -0.76 0.91 112.91 114.02 2jmx h THR 73 Ca -0.35 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.58 2jmx h THR 73 Cb 1.72 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 2jmx h THR 73 CO 0.00 0.14 0.56 0.00 0.37 0.00 0.00 175.52 176.59 2jmx h ALA 74 N 1.58 1.44 0.02 6.16 0.00 -1.54 -2.47 119.26 124.45 2jmx h ALA 74 Ca 0.41 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.96 2jmx h ALA 74 Cb 0.50 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2jmx h ALA 74 CO -0.17 0.50 -1.81 1.63 0.00 0.00 0.00 179.25 179.40 2jmx n LYS 75 N -4.43 0.66 0.25 0.00 5.02 -0.21 -4.02 118.16 115.43 2jmx n LYS 75 Ca 0.10 0.27 0.17 0.00 -2.02 0.00 0.00 58.31 56.84 2jmx n LYS 75 Cb 0.06 -1.76 0.85 0.00 -0.02 0.00 0.00 35.03 34.16 2jmx n LYS 75 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2jmx h GLU 76 N 0.01 0.00 -5.56 1.97 4.57 0.98 -3.46 114.58 113.09 2jmx h GLU 76 Ca -0.33 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.51 2jmx h GLU 76 Cb 2.03 0.00 0.15 0.00 -0.16 0.00 0.00 28.75 30.78 2jmx h GLU 76 CO 0.08 0.00 -0.71 1.17 -1.18 0.00 0.00 179.01 178.36 2jmx n LYS 77 N -2.78 -6.81 -0.10 1.92 3.00 -0.95 -4.98 118.16 107.47 2jmx n LYS 77 Ca -0.01 0.81 -0.08 0.00 -0.00 0.00 0.00 58.31 59.03 2jmx n LYS 77 Cb 0.14 -5.75 0.07 0.00 0.00 0.00 0.00 35.03 29.50 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2jmx n PHE 78 N -4.31 -2.16 -3.21 5.64 3.72 -1.25 -5.03 117.46 110.86 2jmx n PHE 78 Ca -0.18 -0.17 -0.08 0.00 -0.05 0.00 0.00 57.45 56.97 2jmx n PHE 78 Cb 0.63 -0.39 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 2jmx n PHE 78 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jmx n SER 79 N -3.00 1.05 0.00 4.37 3.41 -1.26 -4.98 113.62 113.20 2jmx n SER 79 Ca 0.03 -1.61 0.10 0.00 -0.26 0.00 0.00 58.87 57.13 2jmx n SER 79 Cb 0.15 -0.11 0.44 0.00 -0.26 0.00 0.00 64.21 64.43 2jmx n SER 79 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2jmx n PRO 80 N -1.31 0.07 -0.49 4.33 -0.04 -1.26 -2.96 135.00 133.33 2jmx n PRO 80 Ca 0.04 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.70 2jmx n PRO 80 Cb 0.22 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.38 2jmx n PRO 80 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2jmx n LEU 81 N -1.45 2.93 -0.47 1.53 4.77 -1.26 -4.66 117.00 118.38 2jmx n LEU 81 Ca 0.06 -3.62 0.04 0.00 -0.03 0.00 0.00 56.01 52.45 2jmx n LEU 81 Cb 0.22 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 2jmx n LEU 81 CO 0.18 1.16 0.33 0.41 -1.33 0.00 0.00 177.39 178.14 2jmx n THR 82 N -1.17 0.66 -2.53 -5.08 -1.04 -1.16 -4.73 114.28 99.24 2jmx n THR 82 Ca 0.21 -0.92 -0.20 0.00 -2.04 0.00 0.00 64.05 61.10 2jmx n THR 82 Cb 0.75 0.29 0.01 0.00 -1.82 0.00 0.00 70.33 69.56 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 -0.43 3.52 0.18 8.00 2.88 -1.26 -4.48 113.62 122.02 2jmx n SER 83 Ca 0.06 -3.34 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 2jmx n SER 83 Cb 0.72 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.34 -3.17 0.19 -3.46 3.02 -1.26 -4.87 115.26 105.37 2jmx n ASN 84 Ca 0.28 0.69 0.15 0.00 -0.03 0.00 0.00 54.58 55.67 2jmx n ASN 84 Cb 0.73 3.07 0.76 0.00 -0.61 0.00 0.00 39.78 43.73 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 -1.01 3.41 5.85 -1.85 -0.07 115.31 121.64 2jmx h LEU 85 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 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 0.18 0.40 -0.34 0.00 0.00 178.44 178.68 2jmx h ILE 86 N 0.00 1.23 -0.13 4.05 2.04 -1.89 -2.86 117.51 119.94 2jmx h ILE 86 Ca 0.08 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.20 2jmx h ILE 86 Cb 0.39 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 2jmx h ILE 86 CO -0.00 0.30 -0.20 -1.13 0.00 0.00 0.00 178.15 177.13 2jmx h ASN 87 N 0.87 -0.61 -1.00 1.72 -0.73 -1.35 -0.84 115.58 113.64 2jmx h ASN 87 Ca 0.19 0.10 0.18 0.00 1.87 0.00 0.00 56.30 58.65 2jmx h ASN 87 Cb 0.26 0.28 -0.10 0.00 0.27 0.00 0.00 38.32 39.02 2jmx h ASN 87 CO -0.01 -0.25 0.62 -0.07 -0.37 0.00 0.00 177.43 177.35 2jmx h LEU 88 N -0.25 0.81 -0.80 0.34 3.38 -1.56 0.79 115.31 118.02 2jmx h LEU 88 Ca 0.10 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2jmx h LEU 88 Cb 0.39 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2jmx h LEU 88 CO -0.28 0.31 0.46 -0.07 0.09 0.00 0.00 178.44 178.96 2jmx h LEU 89 N 0.80 0.98 -3.58 1.67 3.38 -1.05 -2.62 115.31 114.89 2jmx h LEU 89 Ca 0.57 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 58.18 2jmx h LEU 89 Cb 0.84 -0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.17 2jmx h LEU 89 CO -0.36 0.78 0.19 0.00 0.09 0.00 0.00 178.44 179.13 2jmx n ALA 90 N -2.36 4.67 0.06 1.53 0.00 0.22 -2.20 120.51 122.42 2jmx n ALA 90 Ca 0.08 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.57 2jmx n ALA 90 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.02 0.00 0.10 0.00 2.13 0.25 -4.52 120.64 117.58 2jmx n GLU 91 Ca 0.42 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 58.01 2jmx n GLU 91 Cb 1.26 -0.39 -0.15 0.00 0.27 0.00 0.00 31.44 32.43 2jmx n GLU 91 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2jmx h ASN 92 N 0.00 0.65 0.00 4.31 -1.24 -1.72 -3.49 115.58 114.09 2jmx h ASN 92 Ca 0.00 -0.85 0.00 0.00 0.71 0.00 0.00 56.30 56.16 2jmx h ASN 92 Cb 0.14 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.97 2jmx h ASN 92 CO 0.00 1.70 0.00 0.61 -1.29 0.00 0.00 177.43 178.45 2jmx n GLY 93 N 1.78 -0.07 0.21 1.57 0.00 -1.25 -5.08 105.19 102.35 2jmx n GLY 93 Ca -0.21 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.97 -3.14 1.61 5.12 -0.93 -4.91 116.66 115.38 2jmx n ARG 94 Ca 0.00 -2.22 -0.44 0.00 -1.93 0.00 0.00 57.85 53.26 2jmx n ARG 94 Cb 0.00 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 2jmx n ARG 94 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jmx n LEU 95 N -1.06 5.44 0.12 0.55 4.77 -1.04 -3.96 117.00 121.81 2jmx n LEU 95 Ca 0.12 -4.78 0.00 0.00 -0.03 0.00 0.00 56.01 51.32 2jmx n LEU 95 Cb 0.66 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2jmx n LEU 95 CO 0.01 1.09 0.00 0.41 -1.33 0.00 0.00 177.39 177.56 2jmx n THR 96 N 3.49 0.00 -1.13 -5.08 -1.04 -1.26 -4.85 114.28 104.41 2jmx n THR 96 Ca 0.30 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.18 2jmx n THR 96 Cb 0.40 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.17 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 -2.98 4.36 -0.36 8.00 3.02 -1.26 -4.74 115.26 121.30 2jmx n ASN 97 Ca 0.00 -3.39 0.05 0.00 -0.03 0.00 0.00 54.58 51.21 2jmx n ASN 97 Cb 0.00 -0.78 0.12 0.00 -0.61 0.00 0.00 39.78 38.51 2jmx n ASN 97 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2jmx n THR 98 N -0.57 -0.43 0.01 3.41 -2.24 -1.25 0.66 114.28 113.86 2jmx n THR 98 Ca 0.48 2.28 0.04 0.00 -2.27 0.00 0.00 64.05 64.58 2jmx n THR 98 Cb 1.49 -3.13 0.42 0.00 -2.10 0.00 0.00 70.33 67.01 2jmx n THR 98 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2jmx h PRO 99 N 0.00 0.52 -0.82 -0.78 0.13 -1.88 -1.50 132.00 127.67 2jmx h PRO 99 Ca 0.45 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.51 2jmx h PRO 99 Cb 0.70 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 2jmx h PRO 99 CO -1.01 0.37 0.38 0.00 -0.23 0.00 0.00 178.00 177.50 2jmx h ALA 100 N 1.73 1.05 -0.35 -0.56 0.00 -0.14 -0.56 119.26 120.42 2jmx h ALA 100 Ca 0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2jmx h ALA 100 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2jmx h ALA 100 CO -0.03 0.63 -0.26 0.28 0.00 0.00 0.00 179.25 179.87 2jmx h VAL 101 N 1.16 1.27 -0.32 0.00 2.07 -0.95 -2.97 116.25 116.51 2jmx h VAL 101 Ca 0.28 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 2jmx h VAL 101 Cb 0.13 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2jmx h VAL 101 CO -0.03 0.45 -0.30 0.40 0.02 0.00 0.00 177.57 178.10 2jmx h ILE 102 N 0.61 1.28 -0.55 4.57 2.04 -0.80 -3.02 117.51 121.63 2jmx h ILE 102 Ca 0.08 -1.43 0.03 0.00 1.00 0.00 0.00 64.86 64.54 2jmx h ILE 102 Cb 0.76 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 2jmx h ILE 102 CO 0.06 0.47 0.33 0.28 0.00 0.00 0.00 178.15 179.28 2jmx h SER 103 N 0.59 0.52 -0.60 1.72 0.02 -0.96 -1.27 113.55 113.56 2jmx h SER 103 Ca 0.07 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2jmx h SER 103 Cb 0.81 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 2jmx h SER 103 CO 0.07 0.36 0.39 0.00 -1.14 0.00 0.00 176.83 176.51 2jmx h ALA 104 N 1.25 1.65 -0.81 3.77 0.00 -1.44 -2.01 119.26 121.67 2jmx h ALA 104 Ca 0.23 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2jmx h ALA 104 Cb 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2jmx h ALA 104 CO -0.11 0.30 0.48 0.35 0.00 0.00 0.00 179.25 180.27 2jmx h PHE 105 N 0.73 0.89 -0.60 0.00 3.04 -1.11 0.19 116.94 120.08 2jmx h PHE 105 Ca 0.23 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.13 2jmx h PHE 105 Cb 0.03 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.23 2jmx h PHE 105 CO -0.00 0.42 0.05 1.03 -2.02 0.00 0.00 178.31 177.79 2jmx h SER 106 N 0.87 1.00 -0.08 0.41 0.87 -1.23 -0.90 113.55 114.49 2jmx h SER 106 Ca 0.37 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 2jmx h SER 106 Cb 0.23 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2jmx h SER 106 CO -0.19 1.04 -0.46 0.74 -0.53 0.00 0.00 176.83 177.43 2jmx h THR 107 N 0.94 1.30 -0.29 2.23 2.02 -1.17 -3.00 112.91 114.94 2jmx h THR 107 Ca 0.18 -1.65 -0.11 0.00 0.77 0.00 0.00 66.41 65.59 2jmx h THR 107 Cb 0.50 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 2jmx h THR 107 CO 0.02 0.52 -0.30 0.24 0.37 0.00 0.00 175.52 176.38 2jmx h MET 108 N 0.51 0.60 -0.90 6.66 2.86 -0.45 -2.94 114.93 121.27 2jmx h MET 108 Ca 0.03 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2jmx h MET 108 Cb 0.99 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.58 2jmx h MET 108 CO 0.09 0.83 0.57 1.98 1.06 0.00 0.00 176.91 181.44 2jmx h MET 109 N 0.51 1.06 -0.50 1.72 -1.53 -1.03 -0.91 114.93 114.26 2jmx h MET 109 Ca 0.06 -0.06 0.08 0.00 -3.44 0.00 0.00 59.70 56.34 2jmx h MET 109 Cb 0.78 -0.24 -0.03 0.00 -0.55 0.00 0.00 31.60 31.56 2jmx h MET 109 CO 0.06 0.70 0.34 0.77 0.14 0.00 0.00 176.91 178.92 2jmx h SER 110 N 1.10 0.29 0.77 1.39 0.02 -1.43 1.00 113.55 116.68 2jmx h SER 110 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2jmx h SER 110 Cb 0.05 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jmx h SER 110 CO -0.13 0.18 0.00 0.52 -1.14 0.00 0.00 176.83 176.26 2jmx n VAL 111 N -4.47 0.11 0.05 2.27 0.31 -0.36 -2.64 118.33 113.61 2jmx n VAL 111 Ca 0.08 0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.45 2jmx n VAL 111 Cb 0.33 -0.56 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.02 3.52 -0.00 -0.63 -3.37 115.15 114.69 2jmx h HIS 112 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.03 2jmx h HIS 112 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.74 2jmx h HIS 112 CO 0.00 0.51 -2.07 -2.13 -0.00 0.00 0.00 177.93 174.23 2jmx n ARG 113 N -2.89 0.67 -0.18 5.12 0.63 -1.17 -2.30 116.66 116.54 2jmx n ARG 113 Ca -0.08 0.18 0.07 0.00 -0.92 0.00 0.00 57.85 57.10 2jmx n ARG 113 Cb 0.80 -1.66 0.36 0.00 0.45 0.00 0.00 32.46 32.41 2jmx n ARG 113 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2jmx h GLY 114 N 3.05 0.96 0.00 5.14 0.00 -1.68 -2.60 103.07 107.93 2jmx h GLY 114 Ca -0.43 -0.30 -0.37 0.00 0.00 0.00 0.00 47.33 46.23 2jmx h GLY 114 CO 0.04 0.21 -2.24 -2.21 0.00 0.00 0.00 176.54 172.34 2jmx n GLU 115 N -4.49 0.47 -3.45 4.80 4.07 -1.26 -4.78 120.64 116.00 2jmx n GLU 115 Ca 0.11 0.20 -0.31 0.00 -0.06 0.00 0.00 57.16 57.11 2jmx n GLU 115 Cb 0.26 -1.29 -0.07 0.00 -0.06 0.00 0.00 31.44 30.28 2jmx n GLU 115 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2jmx n VAL 116 N -3.96 2.83 -0.03 6.31 0.31 -0.97 -4.87 118.33 117.94 2jmx n VAL 116 Ca -0.43 -5.28 -0.16 0.00 -0.01 0.00 0.00 64.34 58.46 2jmx n VAL 116 Cb 0.81 -2.15 -0.09 0.00 -0.91 0.00 0.00 33.84 31.51 2jmx n VAL 116 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jmx h PRO 117 N 4.78 0.47 -3.41 5.55 0.13 -1.53 -3.38 132.00 134.62 2jmx h PRO 117 Ca 0.19 -0.39 -0.18 0.00 -0.87 0.00 0.00 66.00 64.75 2jmx h PRO 117 Cb 0.68 0.08 -0.25 0.00 0.13 0.00 0.00 31.00 31.65 2jmx h PRO 117 CO 0.90 1.02 -0.53 0.00 -0.23 0.00 0.00 178.00 179.17 2jmx s THR 119 N -0.33 0.94 0.00 0.00 -4.23 -1.26 -5.21 115.64 105.55 2jmx s THR 119 Ca -0.04 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2jmx s THR 119 Cb -0.03 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2jmx s THR 119 CO 0.01 -0.31 0.00 1.33 -0.54 0.00 0.00 174.62 175.11