#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 2.86 -0.27 3.13 0.00 -1.26 -5.05 121.76 121.17 2jmx s ALA 2 Ca 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 51.96 48.70 2jmx s ALA 2 Cb 0.00 -1.95 0.08 0.00 0.00 0.00 0.00 23.12 21.25 2jmx s ALA 2 CO 0.00 -2.05 0.06 0.21 0.00 0.00 0.00 175.76 173.98 2jmx s LYS 3 N -0.76 0.86 0.00 0.00 2.20 -1.26 -5.12 119.74 115.67 2jmx s LYS 3 Ca 0.26 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2jmx s LYS 3 Cb -0.04 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 2jmx s LYS 3 CO -0.15 -0.84 0.00 -0.11 -0.36 0.00 0.00 175.35 173.88 2jmx n LEU 4 N 4.85 0.00 -3.83 5.43 7.94 -1.26 -5.12 117.00 125.01 2jmx n LEU 4 Ca -0.05 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.56 2jmx n LEU 4 Cb 0.44 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.25 2jmx n LEU 4 CO 0.13 0.00 -0.19 -0.69 -1.11 0.00 0.00 177.39 175.53 2jmx s VAL 5 N -1.18 2.08 -0.65 1.96 1.01 -1.26 -5.02 120.40 117.35 2jmx s VAL 5 Ca 0.00 -3.14 0.05 0.00 0.00 0.00 0.00 61.98 58.89 2jmx s VAL 5 Cb 0.00 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 34.11 2jmx s VAL 5 CO 0.00 -0.88 0.44 -0.13 0.00 0.00 0.00 175.10 174.53 2jmx s ARG 6 N -0.20 2.26 0.81 2.72 0.52 -1.26 -5.10 118.95 118.70 2jmx s ARG 6 Ca 0.19 -3.12 -0.11 0.00 -0.52 0.00 0.00 55.73 52.16 2jmx s ARG 6 Cb -0.21 -3.24 0.08 0.00 0.52 0.00 0.00 34.95 32.10 2jmx s ARG 6 CO -0.03 -1.26 1.09 -1.25 0.02 0.00 0.00 175.30 173.87 2jmx s PRO 7 N -1.14 1.95 -0.33 3.54 0.04 -1.26 -4.95 135.00 132.85 2jmx s PRO 7 Ca 0.24 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 2jmx s PRO 7 Cb -0.08 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 2jmx s PRO 7 CO -0.14 -1.75 1.51 -1.25 0.04 0.00 0.00 177.00 175.41 2jmx s PRO 8 N -5.05 3.65 -0.12 0.56 0.04 -1.26 -4.98 135.00 127.83 2jmx s PRO 8 Ca 0.61 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 2jmx s PRO 8 Cb -0.16 -4.03 0.04 0.00 0.04 0.00 0.00 34.50 30.40 2jmx s PRO 8 CO 0.55 -1.47 0.29 0.14 0.04 0.00 0.00 177.00 176.55 2jmx s VAL 9 N 5.45 -0.03 -0.05 -0.36 -7.23 -1.26 -5.16 120.40 111.76 2jmx s VAL 9 Ca 0.66 0.10 -0.03 0.00 -1.81 0.00 0.00 61.98 60.90 2jmx s VAL 9 Cb -0.18 -0.43 0.02 0.00 0.56 0.00 0.00 36.38 36.34 2jmx s VAL 9 CO 0.30 0.04 0.11 -1.10 -0.31 0.00 0.00 175.10 174.15 2jmx s GLN 10 N 1.03 0.11 0.02 4.82 -0.21 -1.26 -5.05 119.66 119.12 2jmx s GLN 10 Ca -0.07 0.21 -0.00 0.00 0.02 0.00 0.00 55.36 55.52 2jmx s GLN 10 Cb -0.08 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 33.91 2jmx s GLN 10 CO -0.07 -0.07 0.00 -0.89 -2.12 0.00 0.00 175.29 172.14 2jmx n ILE 11 N 3.42-12.55 0.05 1.08 -0.00 -1.26 -5.04 119.36 105.05 2jmx n ILE 11 Ca -0.17 2.96 0.00 0.00 -0.00 0.00 0.00 62.75 65.54 2jmx n ILE 11 Cb 0.57 -5.79 0.00 0.00 -0.00 0.00 0.00 39.64 34.41 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 1.87 -0.10 0.00 1.39 4.01 -1.26 -5.07 117.16 118.00 2jmx n TYR 12 Ca -0.00 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2jmx n TYR 12 Cb 0.01 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jmx n GLY 13 N 3.42 -1.36 0.37 2.72 0.00 -1.26 -4.94 105.19 104.14 2jmx n GLY 13 Ca 0.00 0.49 0.13 0.00 0.00 0.00 0.00 46.02 46.64 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 0.81 -0.12 -0.61 6.09 -2.00 0.34 117.51 122.02 2jmx h ILE 14 Ca 0.00 -0.23 -0.20 0.00 -1.37 0.00 0.00 64.86 63.06 2jmx h ILE 14 Cb 0.00 0.10 0.00 0.00 0.47 0.00 0.00 36.82 37.39 2jmx h ILE 14 CO 0.00 0.12 -0.74 -0.33 -3.07 0.00 0.00 178.15 174.13 2jmx h GLU 15 N 0.66 0.58 -0.41 2.19 5.08 -1.96 -2.66 114.58 118.06 2jmx h GLU 15 Ca 0.45 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2jmx h GLU 15 Cb 0.78 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2jmx h GLU 15 CO -0.21 1.09 -0.11 0.78 -1.00 0.00 0.00 179.01 179.57 2jmx h GLY 16 N 0.96 0.87 2.00 -3.84 0.00 -1.31 -2.61 103.07 99.14 2jmx h GLY 16 Ca -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 2jmx h GLY 16 CO 0.14 0.66 -0.08 3.21 0.00 0.00 0.00 176.54 180.47 2jmx h ARG 17 N 0.62 0.00 -0.64 4.80 3.08 -0.39 -1.57 114.38 120.27 2jmx h ARG 17 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 2jmx h ARG 17 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 2jmx h ARG 17 CO 0.04 0.08 0.31 1.88 -1.07 0.00 0.00 179.97 181.21 2jmx h TYR 18 N 0.00 0.92 0.14 3.04 -1.99 -1.09 1.14 116.97 119.13 2jmx h TYR 18 Ca -0.00 -0.04 -0.31 0.00 2.00 0.00 0.00 58.73 60.38 2jmx h TYR 18 Cb 0.19 -0.29 0.03 0.00 2.00 0.00 0.00 36.73 38.66 2jmx h TYR 18 CO 0.00 0.69 -1.28 0.00 -0.00 0.00 0.00 178.16 177.58 2jmx h ALA 19 N 1.14 -0.03 0.00 3.88 0.00 -1.48 -2.98 119.26 119.79 2jmx h ALA 19 Ca 0.22 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2jmx h ALA 19 Cb 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jmx h ALA 19 CO -0.03 0.69 -0.33 1.79 0.00 0.00 0.00 179.25 181.37 2jmx h THR 20 N 0.27 0.71 0.00 0.00 1.35 -1.14 0.16 112.91 114.25 2jmx h THR 20 Ca -0.20 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.15 2jmx h THR 20 Cb 1.95 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 70.36 2jmx h THR 20 CO 0.24 0.32 -0.07 0.00 -0.25 0.00 0.00 175.52 175.77 2jmx h ALA 21 N 1.67 0.96 0.01 6.62 0.00 0.13 -0.02 119.26 128.64 2jmx h ALA 21 Ca -0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 54.91 54.48 2jmx h ALA 21 Cb 0.96 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2jmx h ALA 21 CO 0.04 0.03 -2.40 -0.11 0.00 0.00 0.00 179.25 176.82 2jmx n LEU 22 N -3.09 2.59 0.15 0.00 7.94 -1.13 -4.22 117.00 119.24 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 0.54 -0.91 0.43 0.00 0.53 0.00 0.00 43.42 44.02 2jmx n LEU 22 CO 0.35 0.79 0.88 0.10 -1.11 0.00 0.00 177.39 178.40 2jmx h TYR 23 N -0.33 0.00 -0.98 1.96 -0.00 -0.80 -3.15 116.97 113.67 2jmx h TYR 23 Ca -0.59 0.00 0.21 0.00 0.00 0.00 0.00 58.73 58.34 2jmx h TYR 23 Cb 1.80 0.00 -0.09 0.00 0.00 0.00 0.00 36.73 38.44 2jmx h TYR 23 CO 0.00 0.00 0.62 1.03 -0.00 0.00 0.00 178.16 179.81 2jmx h SER 24 N 0.00 0.62 0.04 0.10 0.87 -1.15 1.28 113.55 115.30 2jmx h SER 24 Ca 0.00 0.08 -0.28 0.00 -1.23 0.00 0.00 61.79 60.36 2jmx h SER 24 Cb 0.63 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.58 2jmx h SER 24 CO 0.00 0.21 -1.11 0.00 -0.53 0.00 0.00 176.83 175.41 2jmx h ALA 25 N 1.63 0.09 -0.79 6.23 0.00 -1.79 -3.18 119.26 121.45 2jmx h ALA 25 Ca 0.55 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2jmx h ALA 25 Cb 1.07 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2jmx h ALA 25 CO -0.30 0.69 0.52 0.00 0.00 0.00 0.00 179.25 180.16 2jmx h ALA 26 N 0.37 1.49 -0.88 0.00 0.00 -0.06 -1.92 119.26 118.25 2jmx h ALA 26 Ca -0.15 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jmx h ALA 26 Cb 1.77 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2jmx h ALA 26 CO 0.22 0.45 0.54 1.03 0.00 0.00 0.00 179.25 181.50 2jmx h SER 27 N 1.01 0.85 -0.65 0.00 0.87 0.13 0.98 113.55 116.75 2jmx h SER 27 Ca 0.30 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 2jmx h SER 27 Cb -0.04 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 2jmx h SER 27 CO -0.08 0.53 0.19 0.11 -0.53 0.00 0.00 176.83 177.05 2jmx h LYS 28 N 0.98 1.04 -0.01 2.24 1.57 -1.39 -2.42 116.57 118.58 2jmx h LYS 28 Ca 0.39 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2jmx h LYS 28 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2jmx h LYS 28 CO -0.19 0.91 -0.14 1.04 -0.57 0.00 0.00 179.45 180.50 2jmx n GLN 29 N -4.25 1.14 -3.07 3.15 6.02 -0.42 -4.94 117.38 115.01 2jmx n GLN 29 Ca 0.05 -0.64 -0.13 0.00 -0.01 0.00 0.00 57.00 56.28 2jmx n GLN 29 Cb 0.23 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.06 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 -0.37 -3.98 -0.86 1.08 5.15 0.32 -4.95 115.26 111.66 2jmx n ASN 30 Ca 0.15 -0.32 0.07 0.00 -0.60 0.00 0.00 54.58 53.88 2jmx n ASN 30 Cb 0.34 -3.15 0.21 0.00 -0.53 0.00 0.00 39.78 36.64 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 -3.06 2.93 -0.31 1.20 5.02 0.11 -4.63 118.16 119.43 2jmx n LYS 31 Ca -0.03 -2.30 0.28 0.00 -2.02 0.00 0.00 58.31 54.23 2jmx n LYS 31 Cb 0.55 -1.43 0.62 0.00 -0.02 0.00 0.00 35.03 34.75 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2jmx h LEU 32 N 2.52 0.23 -0.13 -0.35 3.38 -1.91 0.68 115.31 119.73 2jmx h LEU 32 Ca 0.00 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2jmx h LEU 32 Cb 0.91 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2jmx h LEU 32 CO 0.04 0.04 -0.42 -0.08 0.09 0.00 0.00 178.44 178.12 2jmx h GLU 33 N 0.20 0.51 -0.06 1.13 4.81 -1.97 1.14 114.58 120.35 2jmx h GLU 33 Ca 0.57 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2jmx h GLU 33 Cb 1.82 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 2jmx h GLU 33 CO -0.16 1.00 0.07 0.37 -0.73 0.00 0.00 179.01 179.56 2jmx h GLN 34 N 0.12 0.00 0.00 1.92 5.75 -0.07 -1.90 115.11 120.94 2jmx h GLN 34 Ca -0.02 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.12 2jmx h GLN 34 Cb 1.04 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.53 2jmx h GLN 34 CO 0.09 0.00 -2.26 0.28 -2.65 0.00 0.00 178.83 174.29 2jmx n VAL 35 N -3.82 1.24 0.03 2.39 0.31 0.09 -4.11 118.33 114.47 2jmx n VAL 35 Ca -0.01 -0.38 0.08 0.00 -0.01 0.00 0.00 64.34 64.02 2jmx n VAL 35 Cb 0.17 -1.60 0.50 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.51 0.37 0.01 5.55 4.81 0.14 -0.77 114.58 124.18 2jmx h GLU 36 Ca -0.54 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.61 2jmx h GLU 36 Cb 1.60 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.90 2jmx h GLU 36 CO -0.25 0.25 -0.24 0.87 -0.73 0.00 0.00 179.01 178.91 2jmx h LYS 37 N 0.38 0.15 -0.39 1.92 1.57 -1.51 -3.07 116.57 115.62 2jmx h LYS 37 Ca 0.16 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2jmx h LYS 37 Cb 0.17 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2jmx h LYS 37 CO -0.04 0.93 -0.16 0.93 -0.57 0.00 0.00 179.45 180.54 2jmx h GLU 38 N -0.56 0.72 -0.92 3.15 4.39 -1.68 -2.64 114.58 117.04 2jmx h GLU 38 Ca -0.03 -0.25 0.09 0.00 0.34 0.00 0.00 59.36 59.50 2jmx h GLU 38 Cb 1.02 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.55 2jmx h GLU 38 CO 0.05 0.84 0.59 -0.07 -1.16 0.00 0.00 179.01 179.26 2jmx h LEU 39 N 0.64 0.87 -1.40 1.33 4.07 -1.22 -0.52 115.31 119.08 2jmx h LEU 39 Ca 0.10 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.09 2jmx h LEU 39 Cb 0.63 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 2jmx h LEU 39 CO 0.04 0.53 0.41 0.25 -1.08 0.00 0.00 178.44 178.59 2jmx h LEU 40 N 0.97 0.70 -1.03 1.67 5.85 -1.37 -2.11 115.31 120.00 2jmx h LEU 40 Ca 0.42 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.17 2jmx h LEU 40 Cb 0.33 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2jmx h LEU 40 CO -0.18 0.50 0.65 -0.09 -0.34 0.00 0.00 178.44 178.98 2jmx h ARG 41 N 0.82 1.18 -0.79 1.25 9.65 -1.09 -1.40 114.38 124.00 2jmx h ARG 41 Ca 0.23 -0.07 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 2jmx h ARG 41 Cb -0.06 -0.27 -0.04 0.00 -1.39 0.00 0.00 29.97 28.21 2jmx h ARG 41 CO -0.05 0.78 0.38 0.28 2.80 0.00 0.00 179.97 184.16 2jmx h VAL 42 N 1.22 1.25 -0.26 0.20 2.07 -1.36 -1.87 116.25 117.49 2jmx h VAL 42 Ca 0.41 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2jmx h VAL 42 Cb 0.08 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2jmx h VAL 42 CO -0.14 0.30 0.06 1.23 0.02 0.00 0.00 177.57 179.03 2jmx h GLY 43 N 1.15 0.46 0.84 2.17 0.00 -1.23 -2.54 103.07 103.93 2jmx h GLY 43 Ca 0.27 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.37 2jmx h GLY 43 CO -0.03 0.28 0.58 -1.61 0.00 0.00 0.00 176.54 175.75 2jmx h GLN 44 N 0.25 0.97 0.16 4.80 4.15 -0.96 -1.35 115.11 123.13 2jmx h GLN 44 Ca 0.08 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2jmx h GLN 44 Cb 0.30 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2jmx h GLN 44 CO 0.00 0.64 -0.08 0.82 -1.93 0.00 0.00 178.83 178.29 2jmx h ILE 45 N 1.00 0.86 -0.89 2.39 2.04 -1.03 0.22 117.51 122.10 2jmx h ILE 45 Ca 0.39 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 66.23 2jmx h ILE 45 Cb 0.23 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2jmx h ILE 45 CO -0.15 0.01 0.59 -0.07 0.00 0.00 0.00 178.15 178.53 2jmx h LEU 46 N -0.23 0.98 -0.54 1.44 -0.00 -1.01 -2.09 115.31 113.86 2jmx h LEU 46 Ca -0.02 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.88 57.68 2jmx h LEU 46 Cb 0.18 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 2jmx h LEU 46 CO 0.04 0.69 -0.67 0.11 -0.00 0.00 0.00 178.44 178.61 2jmx h LYS 47 N 1.14 0.29 -6.77 1.13 1.57 -0.91 -3.41 116.57 109.61 2jmx h LYS 47 Ca 0.34 -0.22 -0.56 0.00 -1.87 0.00 0.00 60.65 58.34 2jmx h LYS 47 Cb -0.03 0.04 0.11 0.00 0.08 0.00 0.00 32.23 32.43 2jmx h LYS 47 CO -0.09 0.85 0.56 0.39 -0.57 0.00 0.00 179.45 180.59 2jmx n GLU 48 N -3.84 2.23 -0.05 3.15 -0.58 0.74 -4.89 120.64 117.39 2jmx n GLU 48 Ca -0.03 0.78 -0.15 0.00 -0.42 0.00 0.00 57.16 57.34 2jmx n GLU 48 Cb 0.66 -2.39 -0.07 0.00 -0.57 0.00 0.00 31.44 29.07 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 2.72 0.63 -0.61 3.49 0.13 -1.86 -2.07 132.00 134.42 2jmx h PRO 49 Ca -0.47 -0.44 0.10 0.00 -0.87 0.00 0.00 66.00 64.32 2jmx h PRO 49 Cb 1.27 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.44 2jmx h PRO 49 CO 0.64 1.06 0.41 -0.22 -0.23 0.00 0.00 178.00 179.66 2jmx h LYS 50 N 0.29 0.39 0.02 0.86 3.64 -1.92 -1.84 116.57 118.02 2jmx h LYS 50 Ca -0.01 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.09 2jmx h LYS 50 Cb 1.10 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2jmx h LYS 50 CO 0.10 0.26 -1.34 0.52 -2.27 0.00 0.00 179.45 176.72 2jmx h MET 51 N 0.40 0.05 -0.95 1.90 2.86 -1.78 -3.33 114.93 114.09 2jmx h MET 51 Ca 0.28 -0.08 0.22 0.00 -2.06 0.00 0.00 59.70 58.06 2jmx h MET 51 Cb 0.57 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.18 2jmx h MET 51 CO -0.08 0.85 0.62 0.00 1.06 0.00 0.00 176.91 179.36 2jmx h ALA 52 N 0.91 2.17 -0.30 6.32 0.00 -0.59 0.27 119.26 128.04 2jmx h ALA 52 Ca -0.15 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2jmx h ALA 52 Cb 1.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2jmx h ALA 52 CO 0.12 -0.49 0.27 0.00 0.00 0.00 0.00 179.25 179.14 2jmx h ALA 53 N 1.61 2.09 0.00 0.00 0.00 -1.66 0.21 119.26 121.50 2jmx h ALA 53 Ca 0.51 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 55.03 2jmx h ALA 53 Cb 1.23 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2jmx h ALA 53 CO -0.22 -0.42 -2.26 0.45 0.00 0.00 0.00 179.25 176.81 2jmx n SER 54 N -4.06 1.63 0.08 0.00 2.88 0.80 -3.79 113.62 111.15 2jmx n SER 54 Ca 0.04 0.28 0.05 0.00 -1.33 0.00 0.00 58.87 57.92 2jmx n SER 54 Cb 0.42 -0.68 0.48 0.00 -0.75 0.00 0.00 64.21 63.68 2jmx n SER 54 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jmx h LEU 55 N -0.83 0.33 -3.47 2.46 3.38 -1.15 -2.01 115.31 114.02 2jmx h LEU 55 Ca -0.57 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2jmx h LEU 55 Cb 1.50 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.16 2jmx h LEU 55 CO -0.35 0.25 0.00 -0.11 0.09 0.00 0.00 178.44 178.32 2jmx n LEU 56 N -4.48 5.27 -4.86 1.67 0.00 0.06 -4.96 117.00 109.69 2jmx n LEU 56 Ca 0.01 -2.91 -0.37 0.00 0.00 0.00 0.00 56.01 52.74 2jmx n LEU 56 Cb 0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 43.42 42.79 2jmx n LEU 56 CO 0.35 0.65 -0.05 0.21 0.00 0.00 0.00 177.39 178.55 2jmx s ASN 57 N -1.05 6.57 0.00 1.96 2.47 -0.76 -4.97 114.94 119.16 2jmx s ASN 57 Ca 0.52 0.68 0.21 0.00 0.42 0.00 0.00 52.86 54.69 2jmx s ASN 57 Cb 0.39 -2.15 1.11 0.00 -1.45 0.00 0.00 41.25 39.16 2jmx s ASN 57 CO 0.15 0.37 1.73 -0.81 -3.72 0.00 0.00 177.10 174.83 2jmx n PRO 58 N 1.91 1.22 -0.02 0.43 -0.04 -1.26 -3.74 135.00 133.50 2jmx n PRO 58 Ca -0.17 -0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 62.83 2jmx n PRO 58 Cb 0.54 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.48 0.99 -0.21 0.54 4.01 -1.26 -4.11 117.16 116.65 2jmx n TYR 59 Ca 0.16 0.31 0.18 0.00 -0.16 0.00 0.00 57.90 58.40 2jmx n TYR 59 Cb 0.15 -1.17 0.52 0.00 -0.31 0.00 0.00 39.34 38.54 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2jmx h VAL 60 N 0.02 0.71 -3.34 -0.72 2.07 -1.87 -3.48 116.25 109.64 2jmx h VAL 60 Ca -0.34 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2jmx h VAL 60 Cb 2.03 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2jmx h VAL 60 CO 0.08 0.07 -0.84 1.17 0.02 0.00 0.00 177.57 178.07 2jmx n LYS 61 N -4.48 -3.95 -0.56 1.57 4.81 -1.26 -3.98 118.16 110.30 2jmx n LYS 61 Ca 0.17 2.99 -0.28 0.00 -0.87 0.00 0.00 58.31 60.32 2jmx n LYS 61 Cb 0.65 -3.51 0.26 0.00 0.02 0.00 0.00 35.03 32.45 2jmx n LYS 61 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2jmx s ARG 62 N -4.47 -1.10 0.00 1.64 3.52 -1.26 -2.63 118.95 114.65 2jmx s ARG 62 Ca 0.00 0.74 0.00 0.00 -0.13 0.00 0.00 55.73 56.34 2jmx s ARG 62 Cb 0.00 -1.54 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 2jmx s ARG 62 CO 0.00 -3.82 0.00 0.43 -0.81 0.00 0.00 175.30 171.10 2jmx n SER 63 N -4.97 0.00 -0.34 -2.12 7.64 -1.26 -4.22 113.62 108.34 2jmx n SER 63 Ca 0.03 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.94 2jmx n SER 63 Cb 0.55 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.92 2jmx n SER 63 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2jmx h VAL 64 N 0.00 1.02 -0.64 0.44 2.07 -1.77 -0.54 116.25 116.83 2jmx h VAL 64 Ca 0.00 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.17 2jmx h VAL 64 Cb 0.00 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.63 2jmx h VAL 64 CO 0.00 0.19 0.42 0.50 0.02 0.00 0.00 177.57 178.70 2jmx h LYS 65 N 1.04 0.84 -0.94 1.57 3.64 -1.63 -1.99 116.57 119.09 2jmx h LYS 65 Ca 0.43 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 2jmx h LYS 65 Cb 0.26 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 2jmx h LYS 65 CO -0.20 0.55 0.61 0.28 -2.27 0.00 0.00 179.45 178.42 2jmx h VAL 66 N 0.86 1.08 -0.97 2.00 2.07 -1.31 -1.50 116.25 118.49 2jmx h VAL 66 Ca 0.23 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.42 2jmx h VAL 66 Cb -0.10 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 29.51 2jmx h VAL 66 CO -0.05 0.20 0.63 0.11 0.02 0.00 0.00 177.57 178.48 2jmx h LYS 67 N 1.09 1.17 -0.89 1.57 1.57 -1.29 -1.62 116.57 118.17 2jmx h LYS 67 Ca 0.40 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2jmx h LYS 67 Cb 0.17 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2jmx h LYS 67 CO -0.15 0.77 0.59 1.03 -0.57 0.00 0.00 179.45 181.12 2jmx h SER 68 N 1.20 1.02 -0.15 0.86 0.87 -1.29 -0.22 113.55 115.85 2jmx h SER 68 Ca 0.40 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2jmx h SER 68 Cb 0.05 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2jmx h SER 68 CO -0.14 0.73 0.09 -0.07 -0.53 0.00 0.00 176.83 176.91 2jmx h LEU 69 N 1.20 0.18 -0.43 2.23 4.07 -1.15 0.51 115.31 121.92 2jmx h LEU 69 Ca 0.33 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 2jmx h LEU 69 Cb -0.13 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2jmx h LEU 69 CO -0.07 0.20 0.16 0.28 -1.08 0.00 0.00 178.44 177.92 2jmx h SER 70 N 0.16 0.61 0.75 -0.43 0.02 -1.17 0.84 113.55 114.32 2jmx h SER 70 Ca 0.05 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2jmx h SER 70 Cb 0.05 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2jmx h SER 70 CO -0.01 0.63 -0.12 -0.78 -1.14 0.00 0.00 176.83 175.41 2jmx h ASP 71 N 0.56 0.00 0.08 3.07 1.82 -0.79 -0.33 116.42 120.83 2jmx h ASP 71 Ca 0.14 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.52 2jmx h ASP 71 Cb 0.22 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 2jmx h ASP 71 CO -0.01 0.12 -1.40 -0.03 -1.61 0.00 0.00 179.24 176.31 2jmx h MET 72 N 0.00 0.18 -0.79 0.28 4.05 0.67 -3.31 114.93 116.01 2jmx h MET 72 Ca -0.00 -0.30 0.07 0.00 -0.28 0.00 0.00 59.70 59.19 2jmx h MET 72 Cb 0.52 0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.39 2jmx h MET 72 CO 0.02 1.15 0.52 1.15 0.23 0.00 0.00 176.91 179.97 2jmx h THR 73 N -0.44 1.01 -0.94 -0.77 2.02 0.80 0.92 112.91 115.50 2jmx h THR 73 Ca -0.32 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.62 2jmx h THR 73 Cb 1.66 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 2jmx h THR 73 CO -0.00 0.15 0.62 0.00 0.37 0.00 0.00 175.52 176.65 2jmx h ALA 74 N 1.58 1.41 0.04 6.16 0.00 -1.16 -1.95 119.26 125.34 2jmx h ALA 74 Ca 0.35 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.89 2jmx h ALA 74 Cb 0.30 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2jmx h ALA 74 CO -0.13 0.49 -1.85 1.17 0.00 0.00 0.00 179.25 178.94 2jmx n LYS 75 N -4.45 0.68 0.26 0.00 4.81 -0.46 -4.02 118.16 114.98 2jmx n LYS 75 Ca 0.13 0.27 0.17 0.00 -0.87 0.00 0.00 58.31 58.02 2jmx n LYS 75 Cb 0.12 -1.75 0.85 0.00 0.02 0.00 0.00 35.03 34.26 2jmx n LYS 75 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2jmx h GLU 76 N 0.03 0.00 -5.61 1.64 4.57 0.10 -3.46 114.58 111.84 2jmx h GLU 76 Ca -0.35 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.49 2jmx h GLU 76 Cb 2.03 0.00 0.16 0.00 -0.16 0.00 0.00 28.75 30.78 2jmx h GLU 76 CO 0.08 0.00 -0.73 1.17 -1.18 0.00 0.00 179.01 178.34 2jmx n LYS 77 N -2.79 -6.79 -0.07 1.92 4.81 -0.75 -4.98 118.16 109.50 2jmx n LYS 77 Ca -0.01 0.83 -0.06 0.00 -0.87 0.00 0.00 58.31 58.20 2jmx n LYS 77 Cb 0.15 -5.80 0.05 0.00 0.02 0.00 0.00 35.03 29.45 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jmx n PHE 78 N -4.27 -1.99 -3.33 5.64 3.72 -1.24 -5.02 117.46 110.97 2jmx n PHE 78 Ca -0.22 -0.12 -0.22 0.00 -0.05 0.00 0.00 57.45 56.85 2jmx n PHE 78 Cb 0.64 -0.29 0.04 0.00 -0.94 0.00 0.00 39.48 38.93 2jmx n PHE 78 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jmx s SER 79 N -2.00 4.95 0.33 4.37 0.01 -1.26 -4.97 113.70 115.13 2jmx s SER 79 Ca 0.12 -0.98 0.25 0.00 1.31 0.00 0.00 55.95 56.66 2jmx s SER 79 Cb -0.02 0.32 1.18 0.00 0.21 0.00 0.00 66.02 67.70 2jmx s SER 79 CO 0.10 -1.25 1.76 1.55 0.41 0.00 0.00 173.24 175.82 2jmx h PRO 80 N 0.39 0.00 -0.27 12.44 0.13 -1.96 -2.46 132.00 140.26 2jmx h PRO 80 Ca -0.32 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2jmx h PRO 80 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2jmx h PRO 80 CO 0.47 0.00 -0.03 1.28 -0.23 0.00 0.00 178.00 179.49 2jmx n LEU 81 N -2.38 3.85 -0.27 1.56 4.77 -1.26 -4.60 117.00 118.66 2jmx n LEU 81 Ca 0.00 -3.32 0.03 0.00 -0.03 0.00 0.00 56.01 52.70 2jmx n LEU 81 Cb 0.16 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.72 2jmx n LEU 81 CO 0.17 0.90 0.37 0.41 -1.33 0.00 0.00 177.39 177.91 2jmx n THR 82 N -0.84 0.65 -1.95 -5.08 -1.04 -0.93 -4.73 114.28 100.37 2jmx n THR 82 Ca 0.26 -0.77 -0.09 0.00 -2.04 0.00 0.00 64.05 61.41 2jmx n THR 82 Cb 0.93 0.34 0.10 0.00 -1.82 0.00 0.00 70.33 69.87 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 -0.48 3.21 0.15 8.00 2.88 -1.26 -4.26 113.62 121.87 2jmx n SER 83 Ca 0.05 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.01 2jmx n SER 83 Cb 0.62 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.79 -0.74 0.18 -3.46 5.03 -1.26 -4.78 115.26 109.44 2jmx n ASN 84 Ca 0.29 0.53 0.15 0.00 0.87 0.00 0.00 54.58 56.42 2jmx n ASN 84 Cb 0.86 0.89 0.75 0.00 -1.02 0.00 0.00 39.78 41.26 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2jmx h LEU 85 N 0.00 0.00 -1.25 3.41 5.85 -1.85 -0.30 115.31 121.17 2jmx h LEU 85 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2jmx h LEU 85 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2jmx h LEU 85 CO 0.00 0.00 0.53 -0.29 -0.34 0.00 0.00 178.44 178.34 2jmx h ILE 86 N 0.00 1.10 0.06 4.05 2.10 -1.87 -1.42 117.51 121.53 2jmx h ILE 86 Ca 0.10 -0.33 -0.00 0.00 1.08 0.00 0.00 64.86 65.71 2jmx h ILE 86 Cb 0.44 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 2jmx h ILE 86 CO -0.00 0.17 -0.03 0.78 -1.08 0.00 0.00 178.15 177.99 2jmx h ASN 87 N 0.96 -0.07 -0.99 2.19 4.21 -1.36 -2.81 115.58 117.70 2jmx h ASN 87 Ca 0.33 -0.26 0.18 0.00 1.21 0.00 0.00 56.30 57.76 2jmx h ASN 87 Cb 0.10 0.02 -0.10 0.00 -1.12 0.00 0.00 38.32 37.21 2jmx h ASN 87 CO -0.10 0.22 0.60 -0.07 -1.29 0.00 0.00 177.43 176.79 2jmx h LEU 88 N -0.37 0.78 -1.00 1.61 3.38 -1.38 0.58 115.31 118.90 2jmx h LEU 88 Ca -0.01 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2jmx h LEU 88 Cb 0.32 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 2jmx h LEU 88 CO 0.01 0.28 0.66 -0.07 0.09 0.00 0.00 178.44 179.42 2jmx h LEU 89 N 0.77 1.14 -3.56 1.67 3.38 -1.05 -2.33 115.31 115.32 2jmx h LEU 89 Ca 0.57 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 58.23 2jmx h LEU 89 Cb 0.86 -0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 2jmx h LEU 89 CO -0.38 0.81 0.16 0.00 0.09 0.00 0.00 178.44 179.13 2jmx n ALA 90 N -2.38 4.70 -0.09 1.53 0.00 0.38 -1.07 120.51 123.58 2jmx n ALA 90 Ca 0.12 -3.02 -0.19 0.00 0.00 0.00 0.00 53.44 50.35 2jmx n ALA 90 Cb 0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.08 0.40 -0.86 0.00 4.07 0.18 -4.45 120.64 118.90 2jmx n GLU 91 Ca 0.42 0.17 -0.06 0.00 -0.06 0.00 0.00 57.16 57.62 2jmx n GLU 91 Cb 1.25 -1.19 0.21 0.00 -0.06 0.00 0.00 31.44 31.65 2jmx n GLU 91 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2jmx n ASN 92 N -3.76 3.06 -1.20 4.31 4.13 -1.23 -4.85 115.26 115.71 2jmx n ASN 92 Ca -0.37 -3.61 -0.02 0.00 1.68 0.00 0.00 54.58 52.27 2jmx n ASN 92 Cb 0.77 -0.67 0.01 0.00 -1.54 0.00 0.00 39.78 38.35 2jmx n ASN 92 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jmx n GLY 93 N -0.99 0.40 1.91 7.41 0.00 -1.26 -4.97 105.19 107.69 2jmx n GLY 93 Ca 0.37 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.27 2.30 -3.48 1.61 3.00 -0.23 -4.98 116.66 113.61 2jmx n ARG 94 Ca -0.03 -3.21 -0.23 0.00 -0.01 0.00 0.00 57.85 54.37 2jmx n ARG 94 Cb 0.52 -2.10 0.03 0.00 0.00 0.00 0.00 32.46 30.91 2jmx n ARG 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmx s LEU 95 N -3.41 2.85 0.00 0.55 1.43 -1.18 -4.31 118.68 114.61 2jmx s LEU 95 Ca 0.54 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2jmx s LEU 95 Cb 0.46 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 45.34 2jmx s LEU 95 CO 0.05 -1.27 0.00 0.41 0.23 0.00 0.00 176.35 175.77 2jmx n THR 96 N -2.03 0.00 -1.21 5.49 -1.04 -1.26 -4.44 114.28 109.80 2jmx n THR 96 Ca 0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 2jmx n THR 96 Cb 0.63 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.34 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 3.34 3.88 -0.23 8.00 3.02 -1.26 -4.70 115.26 127.31 2jmx n ASN 97 Ca 0.00 -3.57 0.01 0.00 -0.03 0.00 0.00 54.58 50.99 2jmx n ASN 97 Cb 0.00 -0.83 0.08 0.00 -0.61 0.00 0.00 39.78 38.42 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 1.21 0.32 -0.17 3.41 2.02 -1.78 0.62 112.91 118.54 2jmx h THR 98 Ca 0.59 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.71 2jmx h THR 98 Cb 2.82 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.53 2jmx h THR 98 CO 1.07 0.00 -0.17 1.55 0.37 0.00 0.00 175.52 178.34 2jmx h PRO 99 N 0.01 0.29 -0.82 6.66 0.13 -1.89 -1.68 132.00 134.69 2jmx h PRO 99 Ca 0.33 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 2jmx h PRO 99 Cb 0.51 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.57 2jmx h PRO 99 CO -0.69 0.46 0.52 0.00 -0.23 0.00 0.00 178.00 178.06 2jmx h ALA 100 N 1.56 1.05 -0.13 -0.56 0.00 -1.24 0.86 119.26 120.80 2jmx h ALA 100 Ca 0.05 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2jmx h ALA 100 Cb 0.46 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jmx h ALA 100 CO 0.03 0.48 -0.72 0.28 0.00 0.00 0.00 179.25 179.32 2jmx h VAL 101 N 1.12 1.33 -0.05 0.00 2.07 -1.16 -3.18 116.25 116.39 2jmx h VAL 101 Ca 0.30 -2.02 -0.16 0.00 0.82 0.00 0.00 66.70 65.65 2jmx h VAL 101 Cb -0.09 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2jmx h VAL 101 CO -0.06 0.62 -0.66 0.40 0.02 0.00 0.00 177.57 177.89 2jmx h ILE 102 N 0.41 1.42 -0.91 4.57 2.04 -0.73 -3.16 117.51 121.14 2jmx h ILE 102 Ca -0.03 -2.13 0.10 0.00 1.00 0.00 0.00 64.86 63.80 2jmx h ILE 102 Cb 1.31 2.11 -0.08 0.00 -0.74 0.00 0.00 36.82 39.43 2jmx h ILE 102 CO 0.14 0.62 0.55 -1.28 0.00 0.00 0.00 178.15 178.19 2jmx h SER 103 N 0.15 0.82 -0.53 1.72 0.87 0.75 0.88 113.55 118.20 2jmx h SER 103 Ca -0.01 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2jmx h SER 103 Cb 1.19 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 2jmx h SER 103 CO 0.10 0.46 0.35 0.00 -0.53 0.00 0.00 176.83 177.21 2jmx h ALA 104 N 1.49 1.64 -0.96 6.23 0.00 -1.60 -1.96 119.26 124.10 2jmx h ALA 104 Ca 0.44 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.46 2jmx h ALA 104 Cb 0.39 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 2jmx h ALA 104 CO -0.25 0.33 0.58 0.35 0.00 0.00 0.00 179.25 180.27 2jmx h PHE 105 N 0.71 1.04 -0.38 0.00 3.04 -0.89 0.87 116.94 121.32 2jmx h PHE 105 Ca 0.20 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 62.02 2jmx h PHE 105 Cb -0.06 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.13 2jmx h PHE 105 CO -0.00 0.33 -0.40 1.03 -2.02 0.00 0.00 178.31 177.25 2jmx h SER 106 N 0.85 1.00 0.30 0.41 0.87 -1.33 -0.62 113.55 115.02 2jmx h SER 106 Ca 0.51 -0.46 -0.18 0.00 -1.23 0.00 0.00 61.79 60.42 2jmx h SER 106 Cb 0.64 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2jmx h SER 106 CO -0.32 1.26 -0.74 0.74 -0.53 0.00 0.00 176.83 177.24 2jmx h THR 107 N 0.76 1.39 -0.10 2.23 2.02 -1.00 -3.12 112.91 115.10 2jmx h THR 107 Ca 0.06 -2.19 -0.15 0.00 0.77 0.00 0.00 66.41 64.90 2jmx h THR 107 Cb 0.99 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 2jmx h THR 107 CO 0.10 0.65 -0.59 0.24 0.37 0.00 0.00 175.52 176.29 2jmx h MET 108 N 0.25 0.33 -0.94 6.66 2.07 0.76 -3.05 114.93 121.01 2jmx h MET 108 Ca -0.03 -0.22 0.03 0.00 -2.07 0.00 0.00 59.70 57.41 2jmx h MET 108 Cb 1.32 0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 31.03 2jmx h MET 108 CO 0.13 0.82 0.61 1.98 1.07 0.00 0.00 176.91 181.52 2jmx h MET 109 N 0.24 1.18 -0.66 1.72 -1.53 -1.05 -1.13 114.93 113.70 2jmx h MET 109 Ca -0.00 -0.07 0.15 0.00 -3.44 0.00 0.00 59.70 56.33 2jmx h MET 109 Cb 1.11 -0.27 -0.04 0.00 -0.55 0.00 0.00 31.60 31.85 2jmx h MET 109 CO 0.10 0.78 0.45 0.77 0.14 0.00 0.00 176.91 179.15 2jmx h SER 110 N 1.21 0.24 0.72 1.39 0.02 -1.48 0.30 113.55 115.95 2jmx h SER 110 Ca 0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2jmx h SER 110 Cb -0.04 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2jmx h SER 110 CO -0.11 0.13 0.00 0.52 -1.14 0.00 0.00 176.83 176.23 2jmx n VAL 111 N -4.44 0.24 0.08 2.27 0.31 -0.43 -3.15 118.33 113.20 2jmx n VAL 111 Ca 0.12 0.06 0.05 0.00 -0.01 0.00 0.00 64.34 64.56 2jmx n VAL 111 Cb 0.55 -0.63 -0.03 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.05 3.52 -0.00 -0.36 -3.34 115.15 115.03 2jmx h HIS 112 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 60.37 60.06 2jmx h HIS 112 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 2jmx h HIS 112 CO 0.00 0.35 -1.75 -0.09 -0.00 0.00 0.00 177.93 176.44 2jmx h ARG 113 N 0.00 0.11 -0.84 5.12 2.43 -1.51 -0.60 114.38 119.09 2jmx h ARG 113 Ca -0.08 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2jmx h ARG 113 Cb 1.34 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.92 2jmx h ARG 113 CO 0.03 0.81 0.50 0.78 -1.51 0.00 0.00 179.97 180.58 2jmx h GLY 114 N 2.52 1.22 0.00 2.80 0.00 -1.71 -3.35 103.07 104.55 2jmx h GLY 114 Ca -0.31 -0.51 -0.30 0.00 0.00 0.00 0.00 47.33 46.21 2jmx h GLY 114 CO 0.09 0.49 -2.01 -2.21 0.00 0.00 0.00 176.54 172.91 2jmx n GLU 115 N -4.37 0.39 -3.35 4.80 2.13 -1.25 -5.05 120.64 113.93 2jmx n GLU 115 Ca 0.09 0.16 -0.15 0.00 0.66 0.00 0.00 57.16 57.92 2jmx n GLU 115 Cb 0.07 -1.16 0.03 0.00 0.27 0.00 0.00 31.44 30.64 2jmx n GLU 115 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2jmx n VAL 116 N -3.72 -8.02 -2.40 6.31 0.31 -0.23 -4.91 118.33 105.67 2jmx n VAL 116 Ca -0.35 -0.68 -0.41 0.00 -0.01 0.00 0.00 64.34 62.88 2jmx n VAL 116 Cb 0.76 -5.70 -0.03 0.00 -0.91 0.00 0.00 33.84 27.96 2jmx n VAL 116 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jmx s PRO 117 N -4.34 4.48 -0.02 5.55 0.04 -1.26 -5.04 135.00 134.41 2jmx s PRO 117 Ca 0.24 1.84 0.04 0.00 0.04 0.00 0.00 61.00 63.16 2jmx s PRO 117 Cb -0.06 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2jmx s PRO 117 CO 0.79 -0.13 -0.14 0.00 0.04 0.00 0.00 177.00 177.56 2jmx s THR 119 N -0.22 0.11 0.00 0.00 -4.23 -1.26 -5.26 115.64 104.78 2jmx s THR 119 Ca 0.03 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2jmx s THR 119 Cb -0.07 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.41 2jmx s THR 119 CO -0.00 -0.52 0.00 1.33 -0.54 0.00 0.00 174.62 174.89