#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 1.48 0.13 3.13 0.00 -1.26 -5.09 121.76 120.16 2jmx s ALA 2 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2jmx s ALA 2 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2jmx s ALA 2 CO 0.00 0.17 0.00 1.63 0.00 0.00 0.00 175.76 177.56 2jmx n LYS 3 N 0.81 -1.16 -4.18 0.00 5.02 -1.26 -4.91 118.16 112.49 2jmx n LYS 3 Ca -0.18 0.76 -0.14 0.00 -2.02 0.00 0.00 58.31 56.73 2jmx n LYS 3 Cb 0.56 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 34.05 2jmx n LYS 3 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmx s LEU 4 N 0.00 2.40 0.05 -0.35 1.02 -1.26 -5.17 118.68 115.38 2jmx s LEU 4 Ca 0.00 -0.81 -0.03 0.00 0.02 0.00 0.00 54.13 53.31 2jmx s LEU 4 Cb 0.00 -0.31 -0.03 0.00 0.02 0.00 0.00 46.19 45.88 2jmx s LEU 4 CO 0.00 -0.26 0.03 0.54 0.02 0.00 0.00 176.35 176.68 2jmx s VAL 5 N -2.42 0.18 -0.65 -1.59 0.11 -1.26 -5.11 120.40 109.66 2jmx s VAL 5 Ca 0.05 -1.47 0.05 0.00 -2.93 0.00 0.00 61.98 57.67 2jmx s VAL 5 Cb -0.03 -1.24 0.17 0.00 -1.53 0.00 0.00 36.38 33.74 2jmx s VAL 5 CO 0.00 -0.81 0.46 -0.13 -3.33 0.00 0.00 175.10 171.29 2jmx s ARG 6 N -3.42 2.18 0.47 1.54 1.81 -1.26 -5.09 118.95 115.18 2jmx s ARG 6 Ca 0.02 -3.11 -0.22 0.00 -1.72 0.00 0.00 55.73 50.70 2jmx s ARG 6 Cb 0.04 -3.08 -0.08 0.00 -0.45 0.00 0.00 34.95 31.38 2jmx s ARG 6 CO -0.08 -1.30 1.08 -1.25 -0.68 0.00 0.00 175.30 173.07 2jmx s PRO 7 N -1.16 3.82 0.15 3.54 0.04 -1.26 -5.05 135.00 135.08 2jmx s PRO 7 Ca 0.26 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2jmx s PRO 7 Cb -0.04 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.27 2jmx s PRO 7 CO -0.16 -0.45 0.15 -0.35 0.04 0.00 0.00 177.00 176.23 2jmx n PRO 8 N -0.67 -0.95 -3.35 0.56 -0.04 -1.26 -5.07 135.00 124.21 2jmx n PRO 8 Ca 0.08 -0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 2jmx n PRO 8 Cb 0.50 -0.20 -0.07 0.00 -0.04 0.00 0.00 33.50 33.69 2jmx n PRO 8 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jmx s VAL 9 N -1.29 -0.45 -0.08 0.52 -7.23 -1.26 -5.13 120.40 105.48 2jmx s VAL 9 Ca 0.09 -0.67 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 2jmx s VAL 9 Cb -0.01 -0.78 0.03 0.00 0.56 0.00 0.00 36.38 36.18 2jmx s VAL 9 CO 0.07 -0.46 0.21 -1.10 -0.31 0.00 0.00 175.10 173.50 2jmx s GLN 10 N 1.91 0.22 0.42 4.82 -0.21 -1.26 -5.02 119.66 120.55 2jmx s GLN 10 Ca 0.13 0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.85 2jmx s GLN 10 Cb -0.14 0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.92 2jmx s GLN 10 CO -0.16 -0.06 0.00 -0.89 -2.12 0.00 0.00 175.29 172.05 2jmx n ILE 11 N 3.30 -5.85 0.14 1.08 -0.00 -1.26 -5.06 119.36 111.71 2jmx n ILE 11 Ca -0.16 2.70 0.00 0.00 -0.00 0.00 0.00 62.75 65.29 2jmx n ILE 11 Cb 0.57 -3.54 0.00 0.00 -0.00 0.00 0.00 39.64 36.67 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 0.30 -2.58 0.00 1.39 4.02 -1.26 -5.07 117.16 113.96 2jmx n TYR 12 Ca 0.00 0.53 0.00 0.00 -0.01 0.00 0.00 57.90 58.42 2jmx n TYR 12 Cb 0.00 0.94 0.00 0.00 -0.02 0.00 0.00 39.34 40.26 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 1.17 -0.99 0.37 2.72 0.00 -1.26 -4.94 105.19 102.26 2jmx n GLY 13 Ca 0.00 0.35 0.07 0.00 0.00 0.00 0.00 46.02 46.44 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 0.94 -0.32 -0.61 -0.00 -2.00 -0.05 117.51 115.47 2jmx h ILE 14 Ca 0.00 -0.33 -0.14 0.00 -0.00 0.00 0.00 64.86 64.38 2jmx h ILE 14 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 36.82 36.70 2jmx h ILE 14 CO 0.00 0.18 -0.38 -0.33 -0.00 0.00 0.00 178.15 177.61 2jmx h GLU 15 N 0.97 0.76 -0.74 2.19 5.08 -1.99 -2.98 114.58 117.87 2jmx h GLU 15 Ca 0.47 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2jmx h GLU 15 Cb 0.45 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2jmx h GLU 15 CO -0.23 1.01 0.25 0.78 -1.00 0.00 0.00 179.01 179.82 2jmx h GLY 16 N 0.92 1.22 1.74 -3.84 0.00 -1.45 -2.12 103.07 99.54 2jmx h GLY 16 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 47.33 46.71 2jmx h GLY 16 CO 0.09 0.66 0.11 3.21 0.00 0.00 0.00 176.54 180.60 2jmx h ARG 17 N 1.08 0.00 -0.29 4.80 3.08 -0.92 -1.39 114.38 120.75 2jmx h ARG 17 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2jmx h ARG 17 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2jmx h ARG 17 CO -0.01 0.00 0.12 1.88 -1.07 0.00 0.00 179.97 180.88 2jmx h TYR 18 N 0.00 0.43 -0.05 3.04 -1.99 -1.35 1.16 116.97 118.22 2jmx h TYR 18 Ca 0.04 -0.03 -0.25 0.00 2.00 0.00 0.00 58.73 60.49 2jmx h TYR 18 Cb 0.25 -0.13 0.02 0.00 2.00 0.00 0.00 36.73 38.87 2jmx h TYR 18 CO 0.00 0.43 -0.94 0.00 -0.00 0.00 0.00 178.16 177.64 2jmx h ALA 19 N 0.96 0.18 0.00 3.88 0.00 -1.49 -2.72 119.26 120.07 2jmx h ALA 19 Ca 0.10 -0.66 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 2jmx h ALA 19 Cb 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jmx h ALA 19 CO -0.01 0.67 -0.51 1.79 0.00 0.00 0.00 179.25 181.19 2jmx h THR 20 N 0.42 1.14 0.00 0.00 1.35 -1.17 0.29 112.91 114.94 2jmx h THR 20 Ca -0.10 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2jmx h THR 20 Cb 1.59 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 2jmx h THR 20 CO 0.19 0.50 0.00 0.00 -0.25 0.00 0.00 175.52 175.96 2jmx h ALA 21 N 1.49 1.00 0.02 6.62 0.00 0.14 0.56 119.26 129.09 2jmx h ALA 21 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 2jmx h ALA 21 Cb 1.05 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2jmx h ALA 21 CO 0.07 0.00 -2.38 -0.11 0.00 0.00 0.00 179.25 176.83 2jmx n LEU 22 N -2.94 2.68 0.10 0.00 7.94 -1.03 -4.25 117.00 119.50 2jmx n LEU 22 Ca 0.04 0.03 0.13 0.00 -1.11 0.00 0.00 56.01 55.10 2jmx n LEU 22 Cb 0.51 -0.92 0.43 0.00 0.53 0.00 0.00 43.42 43.96 2jmx n LEU 22 CO 0.33 0.83 0.89 0.00 -1.11 0.00 0.00 177.39 178.33 2jmx n TYR 23 N -3.54 0.85 -0.32 1.96 0.18 0.10 -3.52 117.16 112.87 2jmx n TYR 23 Ca -0.45 0.25 0.09 0.00 1.88 0.00 0.00 57.90 59.67 2jmx n TYR 23 Cb 0.96 -0.91 0.26 0.00 -0.38 0.00 0.00 39.34 39.27 2jmx n TYR 23 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2jmx h SER 24 N 0.00 0.62 -0.13 9.48 0.87 -1.04 1.21 113.55 124.57 2jmx h SER 24 Ca 0.00 0.09 -0.20 0.00 -1.23 0.00 0.00 61.79 60.45 2jmx h SER 24 Cb 0.69 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2jmx h SER 24 CO 0.00 0.24 -0.70 0.00 -0.53 0.00 0.00 176.83 175.84 2jmx h ALA 25 N 1.59 0.26 -0.84 6.23 0.00 -1.81 -3.08 119.26 121.61 2jmx h ALA 25 Ca 0.51 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2jmx h ALA 25 Cb 0.74 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2jmx h ALA 25 CO -0.37 0.58 0.54 0.00 0.00 0.00 0.00 179.25 180.00 2jmx h ALA 26 N 0.51 1.66 -0.78 0.00 0.00 -0.37 -1.26 119.26 119.04 2jmx h ALA 26 Ca -0.05 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jmx h ALA 26 Cb 1.34 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2jmx h ALA 26 CO 0.14 0.18 0.44 1.03 0.00 0.00 0.00 179.25 181.05 2jmx h SER 27 N 0.84 0.65 -0.22 0.00 0.87 0.13 0.96 113.55 116.78 2jmx h SER 27 Ca 0.38 0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.80 2jmx h SER 27 Cb 0.36 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2jmx h SER 27 CO -0.15 0.39 -0.52 0.50 -0.53 0.00 0.00 176.83 176.53 2jmx h LYS 28 N 0.77 0.80 -0.00 2.24 3.64 -1.31 -2.86 116.57 119.85 2jmx h LYS 28 Ca 0.36 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2jmx h LYS 28 Cb 0.28 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2jmx h LYS 28 CO -0.22 1.12 -0.01 0.94 -2.27 0.00 0.00 179.45 179.01 2jmx n GLN 29 N -4.00 0.57 -3.12 1.90 -0.06 -0.54 -4.92 117.38 107.21 2jmx n GLN 29 Ca -0.04 -0.03 -0.14 0.00 -2.00 0.00 0.00 57.00 54.79 2jmx n GLN 29 Cb 0.61 -1.50 0.05 0.00 -4.06 0.00 0.00 30.24 25.33 2jmx n GLN 29 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2jmx n ASN 30 N -1.18 -4.38 -1.01 1.69 5.15 0.31 -4.94 115.26 110.89 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 0.22 -3.16 0.25 0.00 -0.53 0.00 0.00 39.78 36.57 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 -3.12 3.15 -0.34 1.20 4.01 -0.05 -4.64 118.16 118.38 2jmx n LYS 31 Ca -0.01 -2.56 0.24 0.00 -0.51 0.00 0.00 58.31 55.48 2jmx n LYS 31 Cb 0.54 -1.64 0.52 0.00 -0.51 0.00 0.00 35.03 33.94 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 2.60 0.44 -0.02 -0.35 -0.00 -1.93 0.59 115.31 116.64 2jmx h LEU 32 Ca 0.00 0.09 -0.21 0.00 -0.00 0.00 0.00 57.88 57.77 2jmx h LEU 32 Cb 1.17 0.03 0.02 0.00 -0.00 0.00 0.00 40.66 41.88 2jmx h LEU 32 CO 0.14 0.05 -0.79 -0.33 -0.00 0.00 0.00 178.44 177.51 2jmx h GLU 33 N 0.37 0.58 0.00 1.13 5.08 -1.96 0.82 114.58 120.59 2jmx h GLU 33 Ca 0.63 -0.59 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jmx h GLU 33 Cb 1.61 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 31.02 2jmx h GLU 33 CO -0.33 1.21 -0.01 1.96 -1.00 0.00 0.00 179.01 180.84 2jmx h GLN 34 N 0.18 0.00 0.00 2.33 1.08 -0.35 -1.35 115.11 117.01 2jmx h GLN 34 Ca -0.09 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.74 2jmx h GLN 34 Cb 1.47 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.83 2jmx h GLN 34 CO 0.16 0.01 -2.37 0.28 -0.95 0.00 0.00 178.83 175.96 2jmx n VAL 35 N -4.39 1.37 0.26 -0.54 0.31 0.11 -3.70 118.33 111.75 2jmx n VAL 35 Ca -0.03 -0.50 0.14 0.00 -0.01 0.00 0.00 64.34 63.94 2jmx n VAL 35 Cb 0.10 -1.43 0.67 0.00 -0.91 0.00 0.00 33.84 32.27 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 -0.15 0.00 0.04 5.55 4.81 0.67 -0.06 114.58 125.44 2jmx h GLU 36 Ca -0.55 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.31 2jmx h GLU 36 Cb 1.79 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.11 2jmx h GLU 36 CO -0.13 0.11 -2.23 1.17 -0.73 0.00 0.00 179.01 177.19 2jmx n LYS 37 N -3.34 0.69 0.10 1.92 4.81 -0.51 -3.51 118.16 118.32 2jmx n LYS 37 Ca -0.01 0.17 -0.23 0.00 -0.87 0.00 0.00 58.31 57.38 2jmx n LYS 37 Cb 0.31 -1.61 -0.14 0.00 0.02 0.00 0.00 35.03 33.60 2jmx n LYS 37 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2jmx h GLU 38 N 0.02 0.52 -0.48 1.64 3.07 -1.63 -3.22 114.58 114.50 2jmx h GLU 38 Ca -0.50 -0.80 0.00 0.00 -0.50 0.00 0.00 59.36 57.57 2jmx h GLU 38 Cb 2.01 0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 30.18 2jmx h GLU 38 CO 0.00 1.37 0.31 1.25 -1.40 0.00 0.00 179.01 180.55 2jmx h LEU 39 N 0.08 0.56 -1.32 1.33 5.85 -1.21 -1.67 115.31 118.93 2jmx h LEU 39 Ca -0.20 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.56 2jmx h LEU 39 Cb 1.95 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.79 2jmx h LEU 39 CO 0.23 0.41 0.50 0.25 -0.34 0.00 0.00 178.44 179.50 2jmx h LEU 40 N 0.65 0.73 -1.17 2.25 6.46 -1.59 -1.50 115.31 121.13 2jmx h LEU 40 Ca 0.18 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 2jmx h LEU 40 Cb -0.07 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.65 2jmx h LEU 40 CO -0.04 0.47 0.58 -0.09 -0.62 0.00 0.00 178.44 178.75 2jmx h ARG 41 N 0.83 0.95 -0.87 1.25 9.65 -1.36 -1.20 114.38 123.63 2jmx h ARG 41 Ca 0.33 -0.06 0.04 0.00 -1.10 0.00 0.00 59.98 59.19 2jmx h ARG 41 Cb 0.22 -0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.54 2jmx h ARG 41 CO -0.11 0.63 0.57 0.28 2.80 0.00 0.00 179.97 184.14 2jmx h VAL 42 N 0.98 1.12 -0.18 0.20 2.07 -1.34 -1.10 116.25 118.00 2jmx h VAL 42 Ca 0.39 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2jmx h VAL 42 Cb 0.24 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2jmx h VAL 42 CO -0.15 0.19 0.03 1.23 0.02 0.00 0.00 177.57 178.89 2jmx h GLY 43 N 1.06 0.33 1.05 2.17 0.00 -1.25 -2.81 103.07 103.61 2jmx h GLY 43 Ca 0.35 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.49 2jmx h GLY 43 CO -0.11 0.20 0.57 -1.61 0.00 0.00 0.00 176.54 175.59 2jmx h GLN 44 N 0.09 1.05 -0.94 4.80 4.15 -1.07 0.23 115.11 123.41 2jmx h GLN 44 Ca 0.05 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.46 2jmx h GLN 44 Cb 0.32 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 2jmx h GLN 44 CO 0.00 0.69 0.61 0.82 -1.93 0.00 0.00 178.83 179.03 2jmx h ILE 45 N 1.08 1.12 0.00 2.39 2.04 -0.98 0.84 117.51 124.00 2jmx h ILE 45 Ca 0.34 -0.39 -0.22 0.00 1.00 0.00 0.00 64.86 65.59 2jmx h ILE 45 Cb 0.01 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 35.93 2jmx h ILE 45 CO -0.10 0.21 -1.07 0.25 0.00 0.00 0.00 178.15 177.44 2jmx h LEU 46 N 1.15 0.00 -0.60 1.44 5.85 -1.10 -3.24 115.31 118.80 2jmx h LEU 46 Ca 0.39 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.98 2jmx h LEU 46 Cb 0.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2jmx h LEU 46 CO -0.15 1.00 -0.64 0.50 -0.34 0.00 0.00 178.44 178.81 2jmx h LYS 47 N 0.00 0.00 -6.54 1.25 3.64 0.28 -3.36 116.57 111.84 2jmx h LYS 47 Ca -0.04 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.74 2jmx h LYS 47 Cb 1.80 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.71 2jmx h LYS 47 CO 0.12 0.64 0.42 0.39 -2.27 0.00 0.00 179.45 178.76 2jmx n GLU 48 N -3.63 1.73 0.04 1.90 1.02 0.28 -4.77 120.64 117.21 2jmx n GLU 48 Ca -0.01 0.61 -0.07 0.00 -0.02 0.00 0.00 57.16 57.67 2jmx n GLU 48 Cb 0.67 -2.16 0.09 0.00 -0.02 0.00 0.00 31.44 30.02 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 3.27 0.42 0.07 3.49 0.13 -1.90 0.84 132.00 138.31 2jmx h PRO 49 Ca -0.44 -0.27 -0.24 0.00 -0.87 0.00 0.00 66.00 64.18 2jmx h PRO 49 Cb 1.30 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 2jmx h PRO 49 CO 0.69 0.87 -1.09 0.87 -0.23 0.00 0.00 178.00 179.11 2jmx h LYS 50 N 0.32 0.24 0.00 0.86 1.57 -1.95 -3.31 116.57 114.30 2jmx h LYS 50 Ca 0.00 -0.35 -0.22 0.00 -1.87 0.00 0.00 60.65 58.22 2jmx h LYS 50 Cb 1.08 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 2jmx h LYS 50 CO 0.10 1.12 -1.34 1.98 -0.57 0.00 0.00 179.45 180.74 2jmx h MET 51 N 0.09 0.00 -0.99 3.15 4.05 -1.79 -3.35 114.93 116.09 2jmx h MET 51 Ca -0.09 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.39 2jmx h MET 51 Cb 1.79 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.52 2jmx h MET 51 CO 0.17 0.56 0.64 0.00 0.23 0.00 0.00 176.91 178.51 2jmx h ALA 52 N 1.16 1.42 -1.00 0.39 0.00 0.63 -1.55 119.26 120.30 2jmx h ALA 52 Ca -0.16 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jmx h ALA 52 Cb 1.78 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 2jmx h ALA 52 CO 0.08 0.44 0.66 0.00 0.00 0.00 0.00 179.25 180.43 2jmx h ALA 53 N 1.46 1.32 -0.04 0.00 0.00 -1.70 -0.45 119.26 119.86 2jmx h ALA 53 Ca 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2jmx h ALA 53 Cb 0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jmx h ALA 53 CO -0.17 0.61 -0.03 1.03 0.00 0.00 0.00 179.25 180.69 2jmx h SER 54 N 1.31 0.09 0.14 0.00 0.87 -1.49 0.70 113.55 115.17 2jmx h SER 54 Ca 0.38 -0.46 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2jmx h SER 54 Cb -0.08 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2jmx h SER 54 CO -0.10 0.53 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.54 2jmx h LEU 55 N -0.36 0.00 0.00 2.23 3.38 -1.16 -3.08 115.31 116.33 2jmx h LEU 55 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2jmx h LEU 55 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2jmx h LEU 55 CO 0.01 0.11 -2.14 -0.11 0.09 0.00 0.00 178.44 176.39 2jmx n LEU 56 N -4.22 0.54 -4.45 1.67 0.00 -0.20 -4.98 117.00 105.36 2jmx n LEU 56 Ca -0.03 0.14 -0.37 0.00 0.00 0.00 0.00 56.01 55.76 2jmx n LEU 56 Cb 0.19 0.26 0.06 0.00 0.00 0.00 0.00 43.42 43.93 2jmx n LEU 56 CO 0.34 0.49 0.02 0.59 0.00 0.00 0.00 177.39 178.84 2jmx n ASN 57 N -2.90 -1.29 0.00 1.96 5.03 0.24 -4.86 115.26 113.44 2jmx n ASN 57 Ca -0.28 0.63 0.14 0.00 0.87 0.00 0.00 54.58 55.94 2jmx n ASN 57 Cb 1.11 -1.19 0.77 0.00 -1.02 0.00 0.00 39.78 39.46 2jmx n ASN 57 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2jmx n PRO 58 N -0.41 0.63 -0.01 3.52 -0.04 -1.26 -3.56 135.00 133.87 2jmx n PRO 58 Ca 0.10 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 2jmx n PRO 58 Cb 0.49 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 2jmx n PRO 58 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2jmx h TYR 59 N 0.00 0.22 -0.86 0.54 0.05 -1.90 -3.35 116.97 111.68 2jmx h TYR 59 Ca 0.00 -0.16 0.25 0.00 0.05 0.00 0.00 58.73 58.87 2jmx h TYR 59 Cb 0.14 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 2jmx h TYR 59 CO 0.00 1.35 0.64 -0.24 -1.05 0.00 0.00 178.16 178.85 2jmx h VAL 60 N 0.03 0.53 -2.81 -2.88 3.04 -1.76 -3.47 116.25 108.93 2jmx h VAL 60 Ca -0.34 0.00 0.32 0.00 -1.01 0.00 0.00 66.70 65.67 2jmx h VAL 60 Cb 2.02 0.55 -0.10 0.00 -2.01 0.00 0.00 31.29 31.76 2jmx h VAL 60 CO 0.09 0.00 -0.56 0.29 -1.01 0.00 0.00 177.57 176.38 2jmx n LYS 61 N -4.20 -2.51 -0.13 4.17 4.01 -1.26 -3.85 118.16 114.39 2jmx n LYS 61 Ca 0.18 1.74 -0.27 0.00 -0.51 0.00 0.00 58.31 59.44 2jmx n LYS 61 Cb 0.94 -3.07 -0.09 0.00 -0.51 0.00 0.00 35.03 32.30 2jmx n LYS 61 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2jmx n ARG 62 N -3.74 0.54 -0.36 1.97 0.63 -1.26 -3.91 116.66 110.53 2jmx n ARG 62 Ca -0.01 0.24 0.04 0.00 -0.92 0.00 0.00 57.85 57.20 2jmx n ARG 62 Cb 0.65 -1.41 0.19 0.00 0.45 0.00 0.00 32.46 32.33 2jmx n ARG 62 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jmx h SER 63 N -0.91 0.96 -0.75 6.15 4.64 -1.90 -0.95 113.55 120.79 2jmx h SER 63 Ca -0.65 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.64 2jmx h SER 63 Cb 1.57 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.46 2jmx h SER 63 CO -0.39 0.58 0.25 0.58 -0.87 0.00 0.00 176.83 176.98 2jmx h VAL 64 N 1.08 1.26 -0.70 0.95 2.07 -1.79 -2.54 116.25 116.58 2jmx h VAL 64 Ca 0.44 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2jmx h VAL 64 Cb 0.27 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2jmx h VAL 64 CO -0.20 0.35 0.46 0.11 0.02 0.00 0.00 177.57 178.31 2jmx h LYS 65 N 1.11 0.80 -0.84 1.57 1.79 -1.29 -1.87 116.57 117.84 2jmx h LYS 65 Ca 0.24 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.69 2jmx h LYS 65 Cb 0.29 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 2jmx h LYS 65 CO -0.01 0.53 0.54 0.28 -1.08 0.00 0.00 179.45 179.71 2jmx h VAL 66 N 0.82 1.16 -0.39 0.50 2.07 -1.01 0.86 116.25 120.28 2jmx h VAL 66 Ca 0.28 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 2jmx h VAL 66 Cb 0.10 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2jmx h VAL 66 CO -0.08 0.20 -0.20 0.11 0.02 0.00 0.00 177.57 177.62 2jmx h LYS 67 N 1.08 0.81 -0.70 1.57 1.79 -1.36 -2.74 116.57 117.01 2jmx h LYS 67 Ca 0.32 -0.36 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2jmx h LYS 67 Cb -0.05 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2jmx h LYS 67 CO -0.10 0.99 0.34 0.66 -1.08 0.00 0.00 179.45 180.27 2jmx h SER 68 N 0.62 0.90 -0.35 0.86 4.64 -0.80 0.50 113.55 119.92 2jmx h SER 68 Ca 0.08 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2jmx h SER 68 Cb 0.75 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2jmx h SER 68 CO 0.06 0.76 0.19 -0.07 -0.87 0.00 0.00 176.83 176.90 2jmx h LEU 69 N 1.00 0.43 -0.24 5.97 3.38 -0.67 0.82 115.31 126.01 2jmx h LEU 69 Ca 0.24 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2jmx h LEU 69 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jmx h LEU 69 CO -0.03 0.39 -0.14 -1.28 0.09 0.00 0.00 178.44 177.47 2jmx h SER 70 N 0.44 0.53 0.88 -0.43 0.87 -1.18 0.51 113.55 115.17 2jmx h SER 70 Ca 0.12 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2jmx h SER 70 Cb 0.06 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2jmx h SER 70 CO -0.02 0.84 -0.07 0.44 -0.53 0.00 0.00 176.83 177.50 2jmx h ASP 71 N 0.22 0.00 0.09 6.23 5.19 -0.73 -0.30 116.42 127.12 2jmx h ASP 71 Ca 0.05 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.17 2jmx h ASP 71 Cb 0.65 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2jmx h ASP 71 CO 0.04 0.07 -1.56 -0.03 -3.12 0.00 0.00 179.24 174.64 2jmx h MET 72 N 0.00 0.19 -0.81 3.56 4.05 0.92 -3.21 114.93 119.62 2jmx h MET 72 Ca -0.00 -0.32 0.04 0.00 -0.28 0.00 0.00 59.70 59.13 2jmx h MET 72 Cb 0.52 0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.40 2jmx h MET 72 CO 0.01 1.15 0.53 1.15 0.23 0.00 0.00 176.91 179.99 2jmx h THR 73 N -0.36 1.13 -0.58 -0.77 2.02 0.12 0.89 112.91 115.36 2jmx h THR 73 Ca -0.35 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 2jmx h THR 73 Cb 1.73 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2jmx h THR 73 CO 0.00 0.18 0.13 0.00 0.37 0.00 0.00 175.52 176.20 2jmx h ALA 74 N 1.53 1.15 0.03 6.16 0.00 -1.16 -2.30 119.26 124.66 2jmx h ALA 74 Ca 0.32 -0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 2jmx h ALA 74 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2jmx h ALA 74 CO -0.10 0.58 -1.51 0.87 0.00 0.00 0.00 179.25 179.09 2jmx h LYS 75 N 0.86 0.06 0.00 0.00 1.57 -1.29 -3.32 116.57 114.45 2jmx h LYS 75 Ca 0.19 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2jmx h LYS 75 Cb 0.32 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jmx h LYS 75 CO 0.00 0.77 0.00 -1.91 -0.57 0.00 0.00 179.45 177.74 2jmx n GLU 76 N -3.22 0.09 -3.62 3.15 0.00 0.30 -4.91 120.64 112.44 2jmx n GLU 76 Ca -0.13 0.12 -0.22 0.00 0.00 0.00 0.00 57.16 56.93 2jmx n GLU 76 Cb 1.02 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 31.02 2jmx n GLU 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2jmx n LYS 77 N -1.44 -6.15 -0.11 5.31 5.02 -0.88 -4.96 118.16 114.95 2jmx n LYS 77 Ca 0.07 0.73 -0.09 0.00 -2.02 0.00 0.00 58.31 57.00 2jmx n LYS 77 Cb 0.23 -5.59 0.08 0.00 -0.02 0.00 0.00 35.03 29.73 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jmx n PHE 78 N -4.41 -2.21 -3.06 2.13 3.72 -1.22 -5.03 117.46 107.38 2jmx n PHE 78 Ca -0.19 -0.19 -0.06 0.00 -0.05 0.00 0.00 57.45 56.96 2jmx n PHE 78 Cb 0.63 -0.45 0.02 0.00 -0.94 0.00 0.00 39.48 38.74 2jmx n PHE 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jmx n SER 79 N -3.01 0.68 0.00 4.37 7.64 -1.26 -4.98 113.62 117.06 2jmx n SER 79 Ca 0.04 -1.45 0.12 0.00 1.01 0.00 0.00 58.87 58.59 2jmx n SER 79 Cb 0.17 -0.11 0.63 0.00 -1.01 0.00 0.00 64.21 63.89 2jmx n SER 79 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jmx n PRO 80 N -1.32 0.41 -0.05 1.43 -0.04 -1.26 -3.18 135.00 131.00 2jmx n PRO 80 Ca 0.04 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2jmx n PRO 80 Cb 0.17 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.24 2.10 -0.10 1.53 4.77 -1.26 -4.69 117.00 118.10 2jmx n LEU 81 Ca 0.13 -2.49 0.01 0.00 -0.03 0.00 0.00 56.01 53.62 2jmx n LEU 81 Cb 0.18 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2jmx n LEU 81 CO 0.18 0.59 0.35 0.41 -1.33 0.00 0.00 177.39 177.59 2jmx n THR 82 N -0.96 0.27 -1.59 -5.08 -1.04 -1.19 -4.57 114.28 100.12 2jmx n THR 82 Ca 0.08 -0.64 -0.25 0.00 -2.04 0.00 0.00 64.05 61.21 2jmx n THR 82 Cb 0.46 0.90 0.09 0.00 -1.82 0.00 0.00 70.33 69.96 2jmx n THR 82 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jmx n SER 83 N 0.01 5.46 0.15 8.00 3.41 -1.26 -3.78 113.62 125.61 2jmx n SER 83 Ca 0.02 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2jmx n SER 83 Cb 0.12 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2jmx n SER 83 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2jmx n ASN 84 N -0.90 -0.54 0.29 4.04 2.85 -1.26 -4.78 115.26 114.95 2jmx n ASN 84 Ca 0.51 0.53 0.13 0.00 -0.11 0.00 0.00 54.58 55.64 2jmx n ASN 84 Cb 0.91 0.73 0.85 0.00 1.24 0.00 0.00 39.78 43.51 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2jmx h LEU 85 N 0.00 0.00 -1.09 1.20 5.85 -1.80 -0.93 115.31 118.54 2jmx h LEU 85 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jmx h LEU 85 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2jmx h LEU 85 CO 0.00 0.00 0.46 -0.29 -0.34 0.00 0.00 178.44 178.27 2jmx h ILE 86 N 0.00 1.23 -0.15 4.05 2.10 -1.87 0.80 117.51 123.68 2jmx h ILE 86 Ca 0.00 -0.53 -0.15 0.00 1.08 0.00 0.00 64.86 65.27 2jmx h ILE 86 Cb 0.01 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 35.86 2jmx h ILE 86 CO -0.00 0.25 -0.49 -1.13 -1.08 0.00 0.00 178.15 175.70 2jmx h ASN 87 N 1.11 0.69 -0.97 2.19 -0.73 -1.49 -3.00 115.58 113.38 2jmx h ASN 87 Ca 0.29 -0.60 0.09 0.00 1.87 0.00 0.00 56.30 57.94 2jmx h ASN 87 Cb -0.02 -0.20 -0.07 0.00 0.27 0.00 0.00 38.32 38.30 2jmx h ASN 87 CO -0.05 1.17 0.61 0.25 -0.37 0.00 0.00 177.43 179.04 2jmx h LEU 88 N 0.24 0.93 -1.09 0.34 5.85 -0.97 0.44 115.31 121.06 2jmx h LEU 88 Ca -0.02 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2jmx h LEU 88 Cb 1.11 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2jmx h LEU 88 CO 0.10 0.55 0.61 -0.07 -0.34 0.00 0.00 178.44 179.30 2jmx h LEU 89 N 1.04 1.06 -3.68 2.25 3.38 -0.77 -1.93 115.31 116.65 2jmx h LEU 89 Ca 0.45 -0.03 -0.31 0.00 0.09 0.00 0.00 57.88 58.08 2jmx h LEU 89 Cb 0.31 -0.26 -0.18 0.00 0.09 0.00 0.00 40.66 40.61 2jmx h LEU 89 CO -0.22 0.77 0.29 0.00 0.09 0.00 0.00 178.44 179.37 2jmx n ALA 90 N -2.39 4.77 -0.13 1.53 0.00 -0.18 -0.82 120.51 123.29 2jmx n ALA 90 Ca 0.11 -2.81 -0.23 0.00 0.00 0.00 0.00 53.44 50.52 2jmx n ALA 90 Cb 0.02 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.87 0.60 -0.69 0.00 2.13 0.14 -4.61 120.64 117.35 2jmx n GLU 91 Ca 0.44 0.19 -0.01 0.00 0.66 0.00 0.00 57.16 58.45 2jmx n GLU 91 Cb 1.35 -1.48 0.21 0.00 0.27 0.00 0.00 31.44 31.80 2jmx n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2jmx n ASN 92 N -3.67 2.86 -1.03 4.31 2.85 -1.25 -4.94 115.26 114.39 2jmx n ASN 92 Ca -0.48 -3.55 -0.00 0.00 -0.11 0.00 0.00 54.58 50.44 2jmx n ASN 92 Cb 0.93 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 41.34 2jmx n ASN 92 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jmx n GLY 93 N -0.98 0.46 1.75 8.20 0.00 -1.26 -4.99 105.19 108.37 2jmx n GLY 93 Ca 0.30 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2jmx n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jmx n ARG 94 N -1.03 2.52 -1.94 1.61 0.63 0.00 -4.68 116.66 113.77 2jmx n ARG 94 Ca -0.00 -3.45 -0.34 0.00 -0.92 0.00 0.00 57.85 53.13 2jmx n ARG 94 Cb 0.50 -2.08 0.04 0.00 0.45 0.00 0.00 32.46 31.37 2jmx n ARG 94 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jmx n LEU 95 N -0.98 6.68 0.09 6.15 4.77 -1.21 -3.85 117.00 128.64 2jmx n LEU 95 Ca 0.45 -4.81 0.00 0.00 -0.03 0.00 0.00 56.01 51.63 2jmx n LEU 95 Cb 1.00 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2jmx n LEU 95 CO 0.42 1.85 -0.04 0.35 -1.33 0.00 0.00 177.39 178.63 2jmx n THR 96 N -0.62 0.46 -0.83 -5.08 -2.24 -1.26 -4.80 114.28 99.91 2jmx n THR 96 Ca 0.51 0.15 0.06 0.00 -2.27 0.00 0.00 64.05 62.51 2jmx n THR 96 Cb 0.49 -0.99 0.39 0.00 -2.10 0.00 0.00 70.33 68.12 2jmx n THR 96 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jmx n ASN 97 N -3.36 5.54 -0.23 3.42 3.02 -1.26 -4.64 115.26 117.76 2jmx n ASN 97 Ca 0.00 -2.91 0.02 0.00 -0.03 0.00 0.00 54.58 51.66 2jmx n ASN 97 Cb 0.04 -0.68 0.11 0.00 -0.61 0.00 0.00 39.78 38.64 2jmx n ASN 97 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2jmx h THR 98 N 3.79 0.40 -0.49 3.41 2.02 -1.87 0.67 112.91 120.84 2jmx h THR 98 Ca 0.01 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 2jmx h THR 98 Cb 1.95 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 2jmx h THR 98 CO 0.49 0.01 0.02 1.55 0.37 0.00 0.00 175.52 177.96 2jmx h PRO 99 N 0.08 0.80 -0.85 6.66 0.13 -1.87 -2.03 132.00 134.92 2jmx h PRO 99 Ca 0.35 -0.21 -0.03 0.00 -0.87 0.00 0.00 66.00 65.24 2jmx h PRO 99 Cb 0.58 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.57 2jmx h PRO 99 CO -0.61 0.79 0.41 0.00 -0.23 0.00 0.00 178.00 178.36 2jmx h ALA 100 N 1.27 1.12 -0.62 -0.56 0.00 -1.26 -2.31 119.26 116.89 2jmx h ALA 100 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2jmx h ALA 100 Cb 0.43 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jmx h ALA 100 CO 0.02 0.67 0.05 0.28 0.00 0.00 0.00 179.25 180.26 2jmx h VAL 101 N 1.21 1.26 -0.59 0.00 2.07 -0.78 -2.67 116.25 116.75 2jmx h VAL 101 Ca 0.29 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.74 2jmx h VAL 101 Cb 0.12 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2jmx h VAL 101 CO -0.04 0.40 0.39 0.40 0.02 0.00 0.00 177.57 178.74 2jmx h ILE 102 N 0.98 1.12 -0.92 4.57 2.04 -0.84 -2.00 117.51 122.46 2jmx h ILE 102 Ca 0.18 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2jmx h ILE 102 Cb 0.49 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 2jmx h ILE 102 CO 0.02 0.14 0.56 0.28 0.00 0.00 0.00 178.15 179.15 2jmx h SER 103 N 0.75 0.84 -0.49 1.72 0.02 -1.09 0.29 113.55 115.58 2jmx h SER 103 Ca 0.22 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2jmx h SER 103 Cb -0.01 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2jmx h SER 103 CO -0.05 0.49 0.32 0.00 -1.14 0.00 0.00 176.83 176.45 2jmx h ALA 104 N 1.47 1.72 -0.89 3.77 0.00 -1.41 -2.00 119.26 121.92 2jmx h ALA 104 Ca 0.43 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.40 2jmx h ALA 104 Cb 0.34 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2jmx h ALA 104 CO -0.23 0.24 0.54 0.35 0.00 0.00 0.00 179.25 180.15 2jmx h PHE 105 N 0.60 0.98 -0.45 0.00 3.04 -0.93 0.48 116.94 120.66 2jmx h PHE 105 Ca 0.19 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.04 2jmx h PHE 105 Cb 0.02 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.21 2jmx h PHE 105 CO -0.00 0.44 -0.24 1.03 -2.02 0.00 0.00 178.31 177.52 2jmx h SER 106 N 0.92 0.96 0.09 0.41 0.87 -1.34 0.38 113.55 115.83 2jmx h SER 106 Ca 0.42 -0.37 -0.19 0.00 -1.23 0.00 0.00 61.79 60.42 2jmx h SER 106 Cb 0.32 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2jmx h SER 106 CO -0.23 1.14 -0.69 0.74 -0.53 0.00 0.00 176.83 177.27 2jmx h THR 107 N 0.80 1.34 -0.14 2.23 2.02 -1.12 -3.06 112.91 114.98 2jmx h THR 107 Ca 0.10 -2.00 -0.16 0.00 0.77 0.00 0.00 66.41 65.12 2jmx h THR 107 Cb 0.80 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2jmx h THR 107 CO 0.07 0.61 -0.60 0.24 0.37 0.00 0.00 175.52 176.22 2jmx h MET 108 N 0.38 0.45 -0.98 6.66 2.86 0.01 -3.06 114.93 121.26 2jmx h MET 108 Ca -0.02 -0.30 0.06 0.00 -2.06 0.00 0.00 59.70 57.37 2jmx h MET 108 Cb 1.26 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.90 2jmx h MET 108 CO 0.13 0.91 0.64 1.98 1.06 0.00 0.00 176.91 181.63 2jmx h MET 109 N 0.34 1.13 -0.49 1.72 -1.53 -0.86 -0.55 114.93 114.70 2jmx h MET 109 Ca -0.00 -0.07 0.12 0.00 -3.44 0.00 0.00 59.70 56.31 2jmx h MET 109 Cb 1.13 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 31.90 2jmx h MET 109 CO 0.11 0.75 0.34 0.66 0.14 0.00 0.00 176.91 178.91 2jmx h SER 110 N 1.17 0.11 1.44 1.39 4.64 -1.44 0.11 113.55 120.97 2jmx h SER 110 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2jmx h SER 110 Cb 0.13 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2jmx h SER 110 CO -0.16 0.06 0.00 0.58 -0.87 0.00 0.00 176.83 176.45 2jmx h VAL 111 N 0.12 0.00 0.00 0.95 2.07 -1.20 -2.99 116.25 115.20 2jmx h VAL 111 Ca 0.23 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2jmx h VAL 111 Cb 0.75 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2jmx h VAL 111 CO -0.03 0.00 -0.68 1.12 0.02 0.00 0.00 177.57 178.00 2jmx h HIS 112 N 0.00 0.00 0.01 1.57 -0.00 -0.69 -3.22 115.15 112.83 2jmx h HIS 112 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 60.37 60.04 2jmx h HIS 112 Cb 0.72 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.07 2jmx h HIS 112 CO 0.00 0.10 -2.00 -2.13 -0.00 0.00 0.00 177.93 173.89 2jmx n ARG 113 N -2.88 0.66 0.05 5.12 0.63 -1.13 -4.15 116.66 114.97 2jmx n ARG 113 Ca 0.00 0.18 -0.13 0.00 -0.92 0.00 0.00 57.85 56.98 2jmx n ARG 113 Cb 0.59 -1.68 -0.04 0.00 0.45 0.00 0.00 32.46 31.78 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 3.43 0.52 -6.14 5.14 0.00 -1.67 -3.35 103.07 100.98 2jmx h GLY 114 Ca -0.40 -0.85 -0.69 0.00 0.00 0.00 0.00 47.33 45.39 2jmx h GLY 114 CO 0.05 0.75 0.09 -2.21 0.00 0.00 0.00 176.54 175.22 2jmx n GLU 115 N -3.79 3.84 -3.75 4.80 4.07 -1.21 -5.01 120.64 119.58 2jmx n GLU 115 Ca -0.07 -4.70 -0.13 0.00 -0.06 0.00 0.00 57.16 52.21 2jmx n GLU 115 Cb 0.80 -2.36 -0.10 0.00 -0.06 0.00 0.00 31.44 29.72 2jmx n GLU 115 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2jmx s VAL 116 N -3.49 0.02 -0.37 6.31 0.11 -1.26 -4.89 120.40 116.83 2jmx s VAL 116 Ca 0.40 -0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 58.99 2jmx s VAL 116 Cb 0.17 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.48 2jmx s VAL 116 CO -0.04 -0.09 1.54 -2.16 -3.33 0.00 0.00 175.10 171.02 2jmx s PRO 117 N -0.37 3.53 -0.21 1.54 0.04 -1.26 -4.97 135.00 133.31 2jmx s PRO 117 Ca -0.05 1.16 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 2jmx s PRO 117 Cb -0.03 -4.07 0.07 0.00 0.04 0.00 0.00 34.50 30.51 2jmx s PRO 117 CO 0.02 -1.61 0.10 0.00 0.04 0.00 0.00 177.00 175.54 2jmx s THR 119 N 2.09 1.72 0.00 0.00 -4.23 -1.26 -5.26 115.64 108.69 2jmx s THR 119 Ca 0.04 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 2jmx s THR 119 Cb -0.16 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.12 2jmx s THR 119 CO -0.17 0.48 0.26 0.52 -0.54 0.00 0.00 174.62 175.18