#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 0.23 -0.27 3.13 0.00 -1.26 -5.06 121.76 118.54 2jmx s ALA 2 Ca 0.00 -0.20 0.22 0.00 0.00 0.00 0.00 51.96 51.98 2jmx s ALA 2 Cb 0.00 -0.03 0.50 0.00 0.00 0.00 0.00 23.12 23.59 2jmx s ALA 2 CO 0.00 0.03 1.12 1.17 0.00 0.00 0.00 175.76 178.08 2jmx n LYS 3 N 2.79 1.68 -3.80 0.00 3.00 -1.26 -5.11 118.16 115.46 2jmx n LYS 3 Ca -0.14 -3.39 -0.19 0.00 -0.00 0.00 0.00 58.31 54.59 2jmx n LYS 3 Cb 0.58 -1.49 -0.05 0.00 0.00 0.00 0.00 35.03 34.07 2jmx n LYS 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2jmx n LEU 4 N -0.61 0.00 -4.36 3.14 4.32 -1.26 -5.16 117.00 113.07 2jmx n LEU 4 Ca 0.06 -2.34 -0.32 0.00 -0.02 0.00 0.00 56.01 53.38 2jmx n LEU 4 Cb 0.80 0.79 -0.15 0.00 -1.62 0.00 0.00 43.42 43.25 2jmx n LEU 4 CO 0.07 -0.36 -0.49 -0.69 -1.22 0.00 0.00 177.39 174.70 2jmx s VAL 5 N -2.71 2.69 -0.11 4.08 1.01 -1.26 -5.04 120.40 119.06 2jmx s VAL 5 Ca 0.16 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2jmx s VAL 5 Cb 0.01 -2.06 -0.23 0.00 0.00 0.00 0.00 36.38 34.10 2jmx s VAL 5 CO 0.11 0.56 0.81 -0.09 0.00 0.00 0.00 175.10 176.50 2jmx h ARG 6 N 6.08 -0.01 -6.36 2.72 9.65 -2.06 -3.42 114.38 120.98 2jmx h ARG 6 Ca -0.34 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 57.96 2jmx h ARG 6 Cb 1.18 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.68 2jmx h ARG 6 CO 0.51 0.79 0.73 -1.25 2.80 0.00 0.00 179.97 183.55 2jmx s PRO 7 N -2.61 3.70 0.05 0.20 0.04 -1.26 -5.01 135.00 130.11 2jmx s PRO 7 Ca -0.17 0.46 -0.31 0.00 0.04 0.00 0.00 61.00 61.03 2jmx s PRO 7 Cb -0.02 -3.88 -0.06 0.00 0.04 0.00 0.00 34.50 30.58 2jmx s PRO 7 CO 0.63 -1.21 1.27 -1.25 0.04 0.00 0.00 177.00 176.47 2jmx s PRO 8 N 3.95 4.38 -0.03 0.56 0.04 -1.26 -5.03 135.00 137.61 2jmx s PRO 8 Ca 0.42 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.31 2jmx s PRO 8 Cb -0.09 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 31.07 2jmx s PRO 8 CO 0.26 -0.36 -0.02 0.08 0.04 0.00 0.00 177.00 177.00 2jmx s VAL 9 N 1.43 0.28 -0.08 -0.36 1.01 -1.26 -5.14 120.40 116.27 2jmx s VAL 9 Ca 0.60 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 2jmx s VAL 9 Cb -0.30 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 35.79 2jmx s VAL 9 CO 0.28 0.15 0.19 -1.10 0.00 0.00 0.00 175.10 174.62 2jmx s GLN 10 N 0.77 0.15 -0.09 2.72 -0.21 -1.26 -5.04 119.66 116.69 2jmx s GLN 10 Ca -0.08 0.44 -0.07 0.00 0.02 0.00 0.00 55.36 55.67 2jmx s GLN 10 Cb -0.12 -0.15 0.03 0.00 1.00 0.00 0.00 33.01 33.77 2jmx s GLN 10 CO -0.01 -0.16 0.13 -0.89 -2.12 0.00 0.00 175.29 172.24 2jmx n ILE 11 N 4.19-10.74 -3.12 1.08 -0.00 -1.26 -5.04 119.36 104.46 2jmx n ILE 11 Ca -0.26 2.38 -0.04 0.00 -0.00 0.00 0.00 62.75 64.84 2jmx n ILE 11 Cb 0.52 -5.57 -0.02 0.00 -0.00 0.00 0.00 39.64 34.58 2jmx n ILE 11 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 2jmx s TYR 12 N -0.52 -1.43 0.00 1.39 1.13 -1.26 -5.11 117.35 111.56 2jmx s TYR 12 Ca -0.15 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.33 2jmx s TYR 12 Cb 0.01 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 41.05 2jmx s TYR 12 CO 0.41 -1.17 0.00 0.41 -2.51 0.00 0.00 175.55 172.69 2jmx n GLY 13 N 3.97 3.33 0.49 5.49 0.00 -1.26 -4.85 105.19 112.37 2jmx n GLY 13 Ca 0.13 -0.72 0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 0.36 -0.72 -0.61 -0.00 -2.02 0.26 117.51 114.77 2jmx h ILE 14 Ca 0.00 -0.05 0.13 0.00 -0.00 0.00 0.00 64.86 64.94 2jmx h ILE 14 Cb 0.00 0.20 -0.05 0.00 -0.00 0.00 0.00 36.82 36.97 2jmx h ILE 14 CO 0.00 0.03 0.48 -0.08 -0.00 0.00 0.00 178.15 178.58 2jmx h GLU 15 N 0.15 0.42 -0.71 2.19 4.81 -1.98 0.27 114.58 119.73 2jmx h GLU 15 Ca 0.65 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.85 2jmx h GLU 15 Cb 2.19 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 31.44 2jmx h GLU 15 CO -0.18 0.28 0.41 0.78 -0.73 0.00 0.00 179.01 179.57 2jmx h GLY 16 N 0.43 1.04 1.45 1.92 0.00 -0.76 -1.66 103.07 105.50 2jmx h GLY 16 Ca 0.35 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.30 2jmx h GLY 16 CO -0.11 0.43 0.21 -0.09 0.00 0.00 0.00 176.54 176.98 2jmx h ARG 17 N 0.99 0.00 -0.94 4.80 2.43 -1.05 -1.50 114.38 119.11 2jmx h ARG 17 Ca 0.25 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.53 2jmx h ARG 17 Cb -0.01 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 2jmx h ARG 17 CO -0.04 0.00 0.60 1.88 -1.51 0.00 0.00 179.97 180.90 2jmx h TYR 18 N 0.00 1.04 -0.09 2.20 -1.99 -1.35 1.08 116.97 117.85 2jmx h TYR 18 Ca 0.10 0.03 -0.23 0.00 2.00 0.00 0.00 58.73 60.63 2jmx h TYR 18 Cb 0.53 -0.33 0.01 0.00 2.00 0.00 0.00 36.73 38.94 2jmx h TYR 18 CO 0.00 0.45 -0.87 0.00 -0.00 0.00 0.00 178.16 177.75 2jmx h ALA 19 N 1.54 0.28 -0.02 3.88 0.00 -1.43 -2.24 119.26 121.27 2jmx h ALA 19 Ca 0.45 -0.64 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2jmx h ALA 19 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jmx h ALA 19 CO -0.21 0.70 -0.80 1.79 0.00 0.00 0.00 179.25 180.73 2jmx h THR 20 N 0.46 1.46 0.00 0.00 1.35 -1.22 0.30 112.91 115.26 2jmx h THR 20 Ca -0.08 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 2jmx h THR 20 Cb 1.50 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.24 2jmx h THR 20 CO 0.17 0.71 0.00 0.00 -0.25 0.00 0.00 175.52 176.15 2jmx h ALA 21 N 1.02 1.00 0.01 6.62 0.00 0.11 0.25 119.26 128.27 2jmx h ALA 21 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.47 2jmx h ALA 21 Cb 1.39 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2jmx h ALA 21 CO 0.12 0.00 -2.39 -0.11 0.00 0.00 0.00 179.25 176.88 2jmx n LEU 22 N -2.54 2.44 0.12 0.00 7.94 -0.84 -4.25 117.00 119.86 2jmx n LEU 22 Ca 0.04 0.13 0.13 0.00 -1.11 0.00 0.00 56.01 55.20 2jmx n LEU 22 Cb 0.39 -0.89 0.43 0.00 0.53 0.00 0.00 43.42 43.88 2jmx n LEU 22 CO 0.28 0.73 0.88 0.00 -1.11 0.00 0.00 177.39 178.18 2jmx n TYR 23 N -3.78 0.92 -0.33 1.96 0.18 0.10 -3.39 117.16 112.83 2jmx n TYR 23 Ca -0.48 0.29 0.11 0.00 1.88 0.00 0.00 57.90 59.70 2jmx n TYR 23 Cb 0.93 -0.98 0.28 0.00 -0.38 0.00 0.00 39.34 39.19 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 0.65 -0.11 9.48 0.87 -0.66 1.17 113.55 124.95 2jmx h SER 24 Ca 0.00 0.10 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 2jmx h SER 24 Cb 0.63 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2jmx h SER 24 CO 0.00 0.24 -0.73 0.00 -0.53 0.00 0.00 176.83 175.81 2jmx h ALA 25 N 1.61 0.24 -0.89 6.23 0.00 -1.80 -3.10 119.26 121.55 2jmx h ALA 25 Ca 0.53 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2jmx h ALA 25 Cb 0.81 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2jmx h ALA 25 CO -0.38 0.58 0.58 0.00 0.00 0.00 0.00 179.25 180.02 2jmx h ALA 26 N 0.49 1.66 -0.88 0.00 0.00 -0.24 -1.00 119.26 119.29 2jmx h ALA 26 Ca -0.06 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2jmx h ALA 26 Cb 1.37 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2jmx h ALA 26 CO 0.15 0.15 0.53 1.03 0.00 0.00 0.00 179.25 181.11 2jmx h SER 27 N 0.86 0.79 -0.16 0.00 0.87 0.12 0.97 113.55 117.00 2jmx h SER 27 Ca 0.42 0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.84 2jmx h SER 27 Cb 0.45 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2jmx h SER 27 CO -0.18 0.46 -0.56 0.50 -0.53 0.00 0.00 176.83 176.52 2jmx h LYS 28 N 0.90 0.75 -0.01 2.24 3.64 -1.27 -2.93 116.57 119.89 2jmx h LYS 28 Ca 0.42 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jmx h LYS 28 Cb 0.34 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2jmx h LYS 28 CO -0.23 1.11 -0.01 1.04 -2.27 0.00 0.00 179.45 179.09 2jmx n GLN 29 N -3.98 1.25 -3.17 1.90 6.02 -0.48 -4.92 117.38 113.99 2jmx n GLN 29 Ca -0.04 -0.41 -0.15 0.00 -0.01 0.00 0.00 57.00 56.40 2jmx n GLN 29 Cb 0.62 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 30.44 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 -0.52 -4.50 -1.13 1.08 2.85 0.31 -4.94 115.26 108.40 2jmx n ASN 30 Ca 0.21 -0.35 0.08 0.00 -0.11 0.00 0.00 54.58 54.42 2jmx n ASN 30 Cb 0.22 -3.39 0.27 0.00 1.24 0.00 0.00 39.78 38.12 2jmx n ASN 30 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2jmx n LYS 31 N -3.33 3.27 -0.34 1.20 4.01 0.30 -4.62 118.16 118.66 2jmx n LYS 31 Ca -0.01 -2.63 0.20 0.00 -0.51 0.00 0.00 58.31 55.36 2jmx n LYS 31 Cb 0.55 -1.69 0.44 0.00 -0.51 0.00 0.00 35.03 33.82 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 2.92 0.57 -0.03 -0.35 -0.00 -1.92 0.68 115.31 117.18 2jmx h LEU 32 Ca 0.00 0.11 -0.19 0.00 -0.00 0.00 0.00 57.88 57.79 2jmx h LEU 32 Cb 1.23 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2jmx h LEU 32 CO 0.16 0.10 -0.74 -0.33 -0.00 0.00 0.00 178.44 177.63 2jmx h GLU 33 N 0.50 0.55 -0.06 1.13 5.08 -1.97 0.82 114.58 120.63 2jmx h GLU 33 Ca 0.62 -0.55 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2jmx h GLU 33 Cb 1.35 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 2jmx h GLU 33 CO -0.38 1.18 0.05 1.96 -1.00 0.00 0.00 179.01 180.81 2jmx h GLN 34 N 0.13 0.00 0.00 2.33 1.08 -0.55 -1.97 115.11 116.13 2jmx h GLN 34 Ca -0.09 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.78 2jmx h GLN 34 Cb 1.42 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.79 2jmx h GLN 34 CO 0.15 0.00 -2.28 0.28 -0.95 0.00 0.00 178.83 176.03 2jmx n VAL 35 N -4.46 1.29 0.23 -0.54 0.31 0.19 -3.77 118.33 111.57 2jmx n VAL 35 Ca -0.01 -0.49 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 2jmx n VAL 35 Cb 0.15 -1.31 0.55 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.03 0.00 0.07 5.55 4.81 0.68 -1.46 114.58 124.21 2jmx h GLU 36 Ca -0.50 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.38 2jmx h GLU 36 Cb 1.77 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.11 2jmx h GLU 36 CO -0.09 0.22 -1.98 1.17 -0.73 0.00 0.00 179.01 177.60 2jmx n LYS 37 N -3.82 0.71 -0.11 1.92 4.81 -0.74 -3.82 118.16 117.10 2jmx n LYS 37 Ca -0.02 0.25 -0.13 0.00 -0.87 0.00 0.00 58.31 57.54 2jmx n LYS 37 Cb 0.31 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 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 0.04 0.86 -0.81 1.64 4.39 -1.64 -2.92 114.58 116.14 2jmx h GLU 38 Ca -0.41 -0.45 0.11 0.00 0.34 0.00 0.00 59.36 58.96 2jmx h GLU 38 Cb 2.03 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.63 2jmx h GLU 38 CO 0.07 1.09 0.53 -0.07 -1.16 0.00 0.00 179.01 179.47 2jmx h LEU 39 N 0.66 0.64 -1.49 1.33 4.07 -1.44 -0.80 115.31 118.28 2jmx h LEU 39 Ca 0.06 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.14 2jmx h LEU 39 Cb 0.93 -0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.51 2jmx h LEU 39 CO 0.09 0.36 0.46 0.25 -1.08 0.00 0.00 178.44 178.52 2jmx h LEU 40 N 0.70 0.52 -0.95 1.67 5.85 -1.61 -1.52 115.31 119.96 2jmx h LEU 40 Ca 0.39 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.17 2jmx h LEU 40 Cb 0.54 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2jmx h LEU 40 CO -0.15 0.31 0.61 0.03 -0.34 0.00 0.00 178.44 178.90 2jmx h ARG 41 N 0.58 1.11 -0.65 1.25 -0.00 -1.22 0.36 114.38 115.80 2jmx h ARG 41 Ca 0.32 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.98 59.66 2jmx h ARG 41 Cb 0.49 -0.25 -0.03 0.00 0.00 0.00 0.00 29.97 30.18 2jmx h ARG 41 CO -0.11 0.74 0.12 0.28 0.00 0.00 0.00 179.97 180.99 2jmx h VAL 42 N 1.15 1.26 -0.21 2.04 2.07 -1.37 -0.28 116.25 120.90 2jmx h VAL 42 Ca 0.40 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2jmx h VAL 42 Cb 0.10 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jmx h VAL 42 CO -0.15 0.38 -0.01 1.23 0.02 0.00 0.00 177.57 179.04 2jmx h GLY 43 N 1.05 0.41 1.02 2.17 0.00 -1.16 -1.38 103.07 105.17 2jmx h GLY 43 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2jmx h GLY 43 CO 0.01 0.28 0.50 -1.61 0.00 0.00 0.00 176.54 175.72 2jmx h GLN 44 N 0.13 1.21 -0.65 4.80 -0.00 -0.78 0.20 115.11 120.03 2jmx h GLN 44 Ca 0.06 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.65 58.52 2jmx h GLN 44 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 27.48 27.63 2jmx h GLN 44 CO 0.01 0.88 0.19 0.82 0.00 0.00 0.00 178.83 180.73 2jmx h ILE 45 N 1.22 1.24 0.01 2.39 2.04 -0.88 0.18 117.51 123.72 2jmx h ILE 45 Ca 0.31 -0.86 -0.20 0.00 1.00 0.00 0.00 64.86 65.11 2jmx h ILE 45 Cb 0.00 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 2jmx h ILE 45 CO -0.05 0.33 -0.92 -0.07 0.00 0.00 0.00 178.15 177.44 2jmx h LEU 46 N 0.96 0.18 -0.73 1.44 4.07 -0.62 -3.17 115.31 117.44 2jmx h LEU 46 Ca 0.21 -0.16 -0.13 0.00 0.08 0.00 0.00 57.88 57.88 2jmx h LEU 46 Cb 0.29 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2jmx h LEU 46 CO -0.01 1.00 -0.62 0.50 -1.08 0.00 0.00 178.44 178.24 2jmx h LYS 47 N 0.07 0.00 -6.79 1.13 3.64 -0.31 -3.38 116.57 110.93 2jmx h LYS 47 Ca -0.04 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.77 2jmx h LYS 47 Cb 1.57 0.00 0.13 0.00 -0.41 0.00 0.00 32.23 33.52 2jmx h LYS 47 CO 0.13 0.62 0.38 0.39 -2.27 0.00 0.00 179.45 178.71 2jmx n GLU 48 N -3.74 1.70 -0.03 1.90 1.02 0.02 -4.85 120.64 116.65 2jmx n GLU 48 Ca -0.01 0.61 -0.15 0.00 -0.02 0.00 0.00 57.16 57.59 2jmx n GLU 48 Cb 0.63 -2.28 -0.09 0.00 -0.02 0.00 0.00 31.44 29.67 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 1.82 0.36 -0.83 3.49 0.13 -1.89 -0.54 132.00 134.54 2jmx h PRO 49 Ca -0.47 -0.29 -0.01 0.00 -0.87 0.00 0.00 66.00 64.36 2jmx h PRO 49 Cb 1.31 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 2jmx h PRO 49 CO 0.58 0.93 0.48 0.87 -0.23 0.00 0.00 178.00 180.64 2jmx h LYS 50 N -0.13 1.13 0.02 0.86 1.57 -1.94 -2.69 116.57 115.39 2jmx h LYS 50 Ca -0.02 -0.11 -0.24 0.00 -1.87 0.00 0.00 60.65 58.41 2jmx h LYS 50 Cb 1.00 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.08 2jmx h LYS 50 CO 0.07 0.80 -0.99 0.52 -0.57 0.00 0.00 179.45 179.28 2jmx h MET 51 N 1.14 0.42 -0.93 3.15 2.86 -1.79 -3.25 114.93 116.53 2jmx h MET 51 Ca 0.29 -0.48 0.19 0.00 -2.06 0.00 0.00 59.70 57.65 2jmx h MET 51 Cb -0.02 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.71 2jmx h MET 51 CO -0.05 1.14 0.60 0.00 1.06 0.00 0.00 176.91 179.66 2jmx h ALA 52 N 0.68 2.02 -0.12 6.32 0.00 -0.75 0.18 119.26 127.60 2jmx h ALA 52 Ca -0.09 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2jmx h ALA 52 Cb 1.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2jmx h ALA 52 CO 0.17 -0.32 -0.28 0.00 0.00 0.00 0.00 179.25 178.82 2jmx h ALA 53 N 1.61 1.32 0.19 0.00 0.00 -1.57 -0.69 119.26 120.13 2jmx h ALA 53 Ca 0.50 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.75 2jmx h ALA 53 Cb 1.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2jmx h ALA 53 CO -0.23 0.47 -1.67 1.03 0.00 0.00 0.00 179.25 178.85 2jmx h SER 54 N 0.19 0.64 0.99 0.00 0.87 -0.85 -1.72 113.55 113.67 2jmx h SER 54 Ca 0.03 -0.88 -0.10 0.00 -1.23 0.00 0.00 61.79 59.61 2jmx h SER 54 Cb 0.60 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2jmx h SER 54 CO 0.04 1.73 -0.48 -0.07 -0.53 0.00 0.00 176.83 177.53 2jmx h LEU 55 N 0.11 0.00 0.00 2.23 3.38 -1.07 -3.29 115.31 116.67 2jmx h LEU 55 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2jmx h LEU 55 Cb 2.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.86 2jmx h LEU 55 CO 0.20 0.48 -2.00 -0.11 0.09 0.00 0.00 178.44 177.10 2jmx n LEU 56 N -3.47 0.00 -4.70 1.67 0.00 -0.27 -4.97 117.00 105.26 2jmx n LEU 56 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 2jmx n LEU 56 Cb 0.61 0.01 -0.02 0.00 0.00 0.00 0.00 43.42 44.01 2jmx n LEU 56 CO 0.39 0.01 1.08 0.59 0.00 0.00 0.00 177.39 179.46 2jmx n ASN 57 N -2.26 3.14 0.00 1.96 3.02 -0.64 -4.86 115.26 115.61 2jmx n ASN 57 Ca -0.04 1.15 0.13 0.00 -0.03 0.00 0.00 54.58 55.79 2jmx n ASN 57 Cb 0.58 -1.49 0.71 0.00 -0.61 0.00 0.00 39.78 38.96 2jmx n ASN 57 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2jmx n PRO 58 N 1.87 0.48 0.00 3.52 -0.04 -1.26 -3.28 135.00 136.29 2jmx n PRO 58 Ca 0.10 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 2jmx n PRO 58 Cb 0.34 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.77 2jmx n PRO 58 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jmx n TYR 59 N -1.23 0.00 0.50 0.54 4.02 -1.26 -4.05 117.16 115.68 2jmx n TYR 59 Ca 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.10 2jmx n TYR 59 Cb 0.19 -0.02 0.20 0.00 -0.02 0.00 0.00 39.34 39.69 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2jmx n VAL 60 N 0.13 0.75 -1.87 -0.72 0.31 -1.21 -5.05 118.33 110.68 2jmx n VAL 60 Ca 0.18 -0.62 0.04 0.00 -0.01 0.00 0.00 64.34 63.93 2jmx n VAL 60 Cb 0.37 0.18 -0.01 0.00 -0.91 0.00 0.00 33.84 33.47 2jmx n VAL 60 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2jmx n LYS 61 N 0.70 -0.66 -0.05 5.55 4.81 -1.26 -3.40 118.16 123.86 2jmx n LYS 61 Ca 0.15 0.44 -0.11 0.00 -0.87 0.00 0.00 58.31 57.92 2jmx n LYS 61 Cb 0.44 -0.81 -0.04 0.00 0.02 0.00 0.00 35.03 34.65 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 -1.67 0.29 -0.36 1.64 5.12 -1.26 -4.18 116.66 116.24 2jmx n ARG 62 Ca 0.00 0.12 -0.01 0.00 -1.93 0.00 0.00 57.85 56.04 2jmx n ARG 62 Cb 0.15 -1.00 0.14 0.00 -1.16 0.00 0.00 32.46 30.59 2jmx n ARG 62 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2jmx h SER 63 N -0.52 1.10 -0.62 0.55 0.02 -1.92 -1.46 113.55 110.71 2jmx h SER 63 Ca -0.20 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 2jmx h SER 63 Cb 0.95 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 2jmx h SER 63 CO -0.12 0.78 0.18 0.58 -1.14 0.00 0.00 176.83 177.11 2jmx h VAL 64 N 1.29 1.25 -0.74 2.27 2.07 -1.83 -2.07 116.25 118.50 2jmx h VAL 64 Ca 0.37 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 2jmx h VAL 64 Cb -0.10 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2jmx h VAL 64 CO -0.09 0.33 0.25 0.50 0.02 0.00 0.00 177.57 178.58 2jmx h LYS 65 N 0.89 1.14 -0.63 1.57 1.63 -1.41 -2.18 116.57 117.58 2jmx h LYS 65 Ca 0.20 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 2jmx h LYS 65 Cb 0.32 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2jmx h LYS 65 CO -0.00 0.95 0.24 0.28 -3.45 0.00 0.00 179.45 177.47 2jmx h VAL 66 N 1.10 1.24 -0.88 2.00 2.07 -0.99 -2.60 116.25 118.18 2jmx h VAL 66 Ca 0.24 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2jmx h VAL 66 Cb 0.28 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2jmx h VAL 66 CO -0.01 0.30 0.46 0.50 0.02 0.00 0.00 177.57 178.83 2jmx h LYS 67 N 0.90 1.25 -0.83 1.57 3.64 -1.06 -2.35 116.57 119.69 2jmx h LYS 67 Ca 0.21 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2jmx h LYS 67 Cb 0.22 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2jmx h LYS 67 CO -0.01 0.94 0.54 0.77 -2.27 0.00 0.00 179.45 179.41 2jmx h SER 68 N 1.25 0.87 -0.52 4.20 0.02 -1.02 -2.16 113.55 116.17 2jmx h SER 68 Ca 0.31 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2jmx h SER 68 Cb 0.07 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 2jmx h SER 68 CO -0.04 0.59 0.34 -0.07 -1.14 0.00 0.00 176.83 176.51 2jmx h LEU 69 N 1.00 0.58 -0.71 5.07 3.38 -1.17 0.14 115.31 123.61 2jmx h LEU 69 Ca 0.33 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2jmx h LEU 69 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2jmx h LEU 69 CO -0.10 0.42 0.43 0.77 0.09 0.00 0.00 178.44 180.04 2jmx h SER 70 N 0.69 0.85 0.95 -0.43 4.64 -1.34 0.84 113.55 119.75 2jmx h SER 70 Ca 0.20 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 2jmx h SER 70 Cb -0.06 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 2jmx h SER 70 CO -0.05 0.66 -0.13 -0.78 -0.87 0.00 0.00 176.83 175.65 2jmx h ASP 71 N 0.96 0.00 0.11 4.97 3.58 -0.97 -1.68 116.42 123.39 2jmx h ASP 71 Ca 0.25 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.43 2jmx h ASP 71 Cb -0.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2jmx h ASP 71 CO -0.05 0.13 -1.41 -0.03 -2.88 0.00 0.00 179.24 175.01 2jmx h MET 72 N 0.00 0.22 -0.89 0.28 4.05 0.32 -3.25 114.93 115.66 2jmx h MET 72 Ca -0.00 -0.38 0.11 0.00 -0.28 0.00 0.00 59.70 59.15 2jmx h MET 72 Cb 0.64 0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 31.52 2jmx h MET 72 CO 0.02 1.18 0.57 1.15 0.23 0.00 0.00 176.91 180.06 2jmx h THR 73 N -0.34 0.92 -0.82 -0.77 2.02 0.75 0.88 112.91 115.54 2jmx h THR 73 Ca -0.31 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 2jmx h THR 73 Cb 1.73 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2jmx h THR 73 CO 0.04 0.15 0.45 0.00 0.37 0.00 0.00 175.52 176.53 2jmx h ALA 74 N 1.57 1.06 0.12 6.16 0.00 -1.40 -1.39 119.26 125.38 2jmx h ALA 74 Ca 0.43 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 2jmx h ALA 74 Cb 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jmx h ALA 74 CO -0.19 0.57 -1.31 -0.22 0.00 0.00 0.00 179.25 178.10 2jmx h LYS 75 N 1.15 0.26 0.00 0.00 3.64 -1.11 -3.25 116.57 117.27 2jmx h LYS 75 Ca 0.29 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jmx h LYS 75 Cb 0.04 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2jmx h LYS 75 CO -0.05 1.19 0.00 1.49 -2.27 0.00 0.00 179.45 179.81 2jmx h GLU 76 N 0.07 0.00 -5.60 1.90 4.57 0.95 -3.46 114.58 113.01 2jmx h GLU 76 Ca -0.16 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.67 2jmx h GLU 76 Cb 1.98 0.00 0.15 0.00 -0.16 0.00 0.00 28.75 30.72 2jmx h GLU 76 CO 0.19 0.00 -0.71 1.17 -1.18 0.00 0.00 179.01 178.49 2jmx n LYS 77 N -2.30 -7.00 -0.09 1.92 4.81 -0.55 -4.98 118.16 109.97 2jmx n LYS 77 Ca 0.01 0.81 -0.08 0.00 -0.87 0.00 0.00 58.31 58.18 2jmx n LYS 77 Cb 0.19 -5.77 0.08 0.00 0.02 0.00 0.00 35.03 29.56 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 -4.43 -2.28 -3.37 5.64 3.72 -1.21 -5.04 117.46 110.49 2jmx n PHE 78 Ca -0.15 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2jmx n PHE 78 Cb 0.62 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 -3.26 0.91 0.00 4.37 3.41 -1.26 -4.99 113.62 112.79 2jmx n SER 79 Ca 0.04 -0.91 0.12 0.00 -0.26 0.00 0.00 58.87 57.86 2jmx n SER 79 Cb 0.16 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.76 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 -0.50 0.47 -0.03 4.33 -0.04 -1.26 -3.18 135.00 134.79 2jmx n PRO 80 Ca 0.00 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 2jmx n PRO 80 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.20 2.10 0.00 1.53 4.77 -1.26 -4.69 117.00 118.24 2jmx n LEU 81 Ca 0.14 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 2jmx n LEU 81 Cb 0.16 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2jmx n LEU 81 CO 0.17 0.58 0.35 0.41 -1.33 0.00 0.00 177.39 177.57 2jmx n THR 82 N -0.87 0.42 -1.66 -5.08 -1.04 -1.19 -4.60 114.28 100.27 2jmx n THR 82 Ca 0.06 -0.68 -0.26 0.00 -2.04 0.00 0.00 64.05 61.13 2jmx n THR 82 Cb 0.42 0.82 0.07 0.00 -1.82 0.00 0.00 70.33 69.82 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 -0.21 5.67 0.14 8.00 2.88 -1.26 -3.86 113.62 124.99 2jmx n SER 83 Ca 0.00 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 2jmx n SER 83 Cb 0.13 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2jmx n SER 83 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jmx n ASN 84 N -0.86 -0.72 0.20 -3.46 2.85 -1.26 -4.79 115.26 107.22 2jmx n ASN 84 Ca 0.51 0.50 0.15 0.00 -0.11 0.00 0.00 54.58 55.62 2jmx n ASN 84 Cb 0.88 0.86 0.76 0.00 1.24 0.00 0.00 39.78 43.52 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 -1.13 1.20 5.85 -1.81 -0.34 115.31 119.07 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 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2jmx h LEU 85 CO 0.00 0.00 0.39 -0.29 -0.34 0.00 0.00 178.44 178.20 2jmx h ILE 86 N 0.00 1.21 -0.12 4.05 2.10 -1.87 -1.82 117.51 121.07 2jmx h ILE 86 Ca 0.08 -0.54 -0.03 0.00 1.08 0.00 0.00 64.86 65.45 2jmx h ILE 86 Cb 0.37 0.24 -0.00 0.00 -1.09 0.00 0.00 36.82 36.34 2jmx h ILE 86 CO -0.00 0.24 -0.05 0.78 -1.08 0.00 0.00 178.15 178.04 2jmx h ASN 87 N 1.00 0.24 -0.89 2.19 -0.26 -1.37 -2.98 115.58 113.52 2jmx h ASN 87 Ca 0.26 -0.40 0.16 0.00 -0.56 0.00 0.00 56.30 55.76 2jmx h ASN 87 Cb 0.03 -0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.12 2jmx h ASN 87 CO -0.04 0.59 0.48 -0.07 -1.06 0.00 0.00 177.43 177.32 2jmx h LEU 88 N -0.10 0.58 -1.26 1.61 3.38 -1.29 0.47 115.31 118.70 2jmx h LEU 88 Ca 0.03 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2jmx h LEU 88 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 2jmx h LEU 88 CO 0.02 0.22 0.51 -0.07 0.09 0.00 0.00 178.44 179.21 2jmx h LEU 89 N 0.65 0.85 -3.62 1.67 3.38 -1.21 -1.80 115.31 115.22 2jmx h LEU 89 Ca 0.50 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 58.15 2jmx h LEU 89 Cb 0.74 -0.21 -0.18 0.00 0.09 0.00 0.00 40.66 41.10 2jmx h LEU 89 CO -0.38 0.61 0.23 0.00 0.09 0.00 0.00 178.44 178.99 2jmx n ALA 90 N -2.42 4.74 -0.12 1.53 0.00 0.65 -0.82 120.51 124.07 2jmx n ALA 90 Ca 0.09 -2.92 -0.26 0.00 0.00 0.00 0.00 53.44 50.35 2jmx n ALA 90 Cb 0.07 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.00 0.52 -0.78 0.00 4.07 0.13 -4.52 120.64 119.07 2jmx n GLU 91 Ca 0.43 0.22 -0.02 0.00 -0.06 0.00 0.00 57.16 57.73 2jmx n GLU 91 Cb 1.30 -1.36 0.20 0.00 -0.06 0.00 0.00 31.44 31.52 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 -4.06 2.28 -0.91 4.31 4.13 -1.24 -4.93 115.26 114.83 2jmx n ASN 92 Ca -0.48 -3.83 -0.01 0.00 1.68 0.00 0.00 54.58 51.95 2jmx n ASN 92 Cb 0.84 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 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 -1.13 0.60 2.01 7.41 0.00 -1.26 -4.97 105.19 107.85 2jmx n GLY 93 Ca 0.30 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.95 2.44 -1.08 1.61 5.12 -0.00 -4.54 116.66 119.26 2jmx n ARG 94 Ca -0.01 -3.26 -0.15 0.00 -1.93 0.00 0.00 57.85 52.50 2jmx n ARG 94 Cb 0.51 -2.15 0.17 0.00 -1.16 0.00 0.00 32.46 29.83 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 -1.03 5.39 -0.02 0.55 4.77 -1.10 -4.08 117.00 121.48 2jmx n LEU 95 Ca 0.54 -3.84 -0.07 0.00 -0.03 0.00 0.00 56.01 52.60 2jmx n LEU 95 Cb 1.14 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2jmx n LEU 95 CO 0.56 1.27 -0.57 0.35 -1.33 0.00 0.00 177.39 177.67 2jmx n THR 96 N -1.09 0.83 -1.31 -5.08 -2.24 -1.26 -4.68 114.28 99.45 2jmx n THR 96 Ca 0.46 0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 62.05 2jmx n THR 96 Cb 1.21 -1.71 0.15 0.00 -2.10 0.00 0.00 70.33 67.89 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 -3.57 4.56 -0.09 3.42 3.02 -1.26 -4.68 115.26 116.66 2jmx n ASN 97 Ca -0.12 -3.68 0.01 0.00 -0.03 0.00 0.00 54.58 50.76 2jmx n ASN 97 Cb 0.44 -0.83 0.32 0.00 -0.61 0.00 0.00 39.78 39.09 2jmx n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmx h THR 98 N 1.04 1.16 -0.43 3.41 1.03 -1.84 -2.61 112.91 114.68 2jmx h THR 98 Ca 0.57 -0.42 -0.04 0.00 -0.01 0.00 0.00 66.41 66.52 2jmx h THR 98 Cb 2.19 0.46 -0.02 0.00 -1.07 0.00 0.00 68.15 69.71 2jmx h THR 98 CO 1.12 0.18 0.10 1.55 -0.01 0.00 0.00 175.52 178.47 2jmx h PRO 99 N 0.73 0.64 -0.88 0.00 0.13 -1.94 -2.38 132.00 128.30 2jmx h PRO 99 Ca 0.19 -0.11 0.07 0.00 -0.87 0.00 0.00 66.00 65.28 2jmx h PRO 99 Cb 0.03 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 30.99 2jmx h PRO 99 CO -0.03 0.58 0.57 0.00 -0.23 0.00 0.00 178.00 178.89 2jmx h ALA 100 N 1.50 1.56 -0.59 -0.56 0.00 -1.83 -1.05 119.26 118.27 2jmx h ALA 100 Ca 0.14 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 2jmx h ALA 100 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jmx h ALA 100 CO -0.00 0.30 -0.03 0.28 0.00 0.00 0.00 179.25 179.80 2jmx h VAL 101 N 0.97 1.27 -0.60 0.00 2.07 -1.49 -2.45 116.25 116.02 2jmx h VAL 101 Ca 0.38 -1.18 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 2jmx h VAL 101 Cb 0.24 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2jmx h VAL 101 CO -0.15 0.43 0.00 0.40 0.02 0.00 0.00 177.57 178.27 2jmx h ILE 102 N 0.96 1.26 -0.22 4.57 2.04 -1.18 -2.72 117.51 122.23 2jmx h ILE 102 Ca 0.17 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 2jmx h ILE 102 Cb 0.59 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2jmx h ILE 102 CO 0.04 0.42 0.12 0.28 0.00 0.00 0.00 178.15 179.01 2jmx h SER 103 N 0.96 0.27 -0.62 1.72 0.02 -1.06 -1.99 113.55 112.85 2jmx h SER 103 Ca 0.17 -0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.16 2jmx h SER 103 Cb 0.55 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 2jmx h SER 103 CO 0.03 0.26 0.42 0.00 -1.14 0.00 0.00 176.83 176.40 2jmx h ALA 104 N 1.02 2.05 -0.76 3.77 0.00 -1.32 -1.34 119.26 122.67 2jmx h ALA 104 Ca 0.08 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2jmx h ALA 104 Cb 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2jmx h ALA 104 CO -0.01 -0.19 0.44 0.35 0.00 0.00 0.00 179.25 179.83 2jmx h PHE 105 N 0.40 0.80 -0.59 0.00 3.04 -1.04 0.51 116.94 120.06 2jmx h PHE 105 Ca 0.29 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.17 2jmx h PHE 105 Cb 0.61 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 2jmx h PHE 105 CO -0.00 0.37 -0.04 0.77 -2.02 0.00 0.00 178.31 177.39 2jmx h SER 106 N 0.78 1.06 0.09 0.41 0.02 -1.21 0.13 113.55 114.83 2jmx h SER 106 Ca 0.35 -0.32 -0.18 0.00 -0.84 0.00 0.00 61.79 60.79 2jmx h SER 106 Cb 0.24 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2jmx h SER 106 CO -0.20 1.13 -0.68 0.74 -1.14 0.00 0.00 176.83 176.68 2jmx h THR 107 N 0.96 1.34 -0.13 -2.27 2.02 -1.18 -3.09 112.91 110.55 2jmx h THR 107 Ca 0.16 -1.98 -0.16 0.00 0.77 0.00 0.00 66.41 65.20 2jmx h THR 107 Cb 0.61 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 2jmx h THR 107 CO 0.04 0.61 -0.60 0.24 0.37 0.00 0.00 175.52 176.18 2jmx h MET 108 N 0.39 0.45 -0.84 6.66 2.86 0.14 -3.04 114.93 121.55 2jmx h MET 108 Ca -0.02 -0.30 0.07 0.00 -2.06 0.00 0.00 59.70 57.38 2jmx h MET 108 Cb 1.25 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.90 2jmx h MET 108 CO 0.12 0.91 0.55 1.98 1.06 0.00 0.00 176.91 181.54 2jmx h MET 109 N 0.33 0.89 -0.54 1.72 -1.53 -0.68 -0.59 114.93 114.54 2jmx h MET 109 Ca -0.00 -0.05 0.13 0.00 -3.44 0.00 0.00 59.70 56.33 2jmx h MET 109 Cb 1.14 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 31.96 2jmx h MET 109 CO 0.11 0.59 0.38 0.77 0.14 0.00 0.00 176.91 178.89 2jmx h SER 110 N 0.92 0.14 0.93 1.39 0.02 -1.45 0.20 113.55 115.70 2jmx h SER 110 Ca 0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2jmx h SER 110 Cb 0.23 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2jmx h SER 110 CO -0.13 0.08 0.00 0.52 -1.14 0.00 0.00 176.83 176.16 2jmx n VAL 111 N -4.43 0.06 0.07 2.27 0.31 -0.23 -2.94 118.33 113.44 2jmx n VAL 111 Ca 0.10 0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.50 2jmx n VAL 111 Cb 0.51 -0.53 -0.04 0.00 -0.91 0.00 0.00 33.84 32.87 2jmx n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmx n HIS 112 N -1.48 0.98 -0.02 3.52 -0.00 0.69 -4.24 115.22 114.66 2jmx n HIS 112 Ca 0.07 0.30 0.01 0.00 -0.00 0.00 0.00 57.72 58.11 2jmx n HIS 112 Cb 0.32 -1.02 -0.14 0.00 -0.00 0.00 0.00 29.99 29.16 2jmx n HIS 112 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2jmx n ARG 113 N -2.77 0.66 0.15 -1.40 0.63 -1.16 -4.06 116.66 108.72 2jmx n ARG 113 Ca -0.04 -0.02 -0.14 0.00 -0.92 0.00 0.00 57.85 56.73 2jmx n ARG 113 Cb 0.68 -1.61 -0.07 0.00 0.45 0.00 0.00 32.46 31.91 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 3.93 -0.71 -6.01 5.14 0.00 -1.71 -3.40 103.07 100.32 2jmx h GLY 114 Ca -0.22 0.40 -0.38 0.00 0.00 0.00 0.00 47.33 47.12 2jmx h GLY 114 CO 0.02 -0.27 -0.73 1.85 0.00 0.00 0.00 176.54 177.41 2jmx s GLU 115 N -6.00 0.85 -0.33 4.80 -6.30 -1.26 -5.08 118.70 105.38 2jmx s GLU 115 Ca -0.16 -1.34 -0.00 0.00 -2.50 0.00 0.00 54.97 50.97 2jmx s GLU 115 Cb 0.07 -0.78 0.14 0.00 0.00 0.00 0.00 34.13 33.56 2jmx s GLU 115 CO 0.64 -1.30 0.25 0.08 0.02 0.00 0.00 175.26 174.95 2jmx s VAL 116 N 0.82 -0.12 0.63 3.70 1.01 -1.26 -5.01 120.40 120.18 2jmx s VAL 116 Ca 0.26 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 2jmx s VAL 116 Cb -0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2jmx s VAL 116 CO -0.09 -0.75 1.08 -2.16 0.00 0.00 0.00 175.10 173.18 2jmx s PRO 117 N 1.59 3.06 0.17 2.72 0.04 -1.26 -4.99 135.00 136.33 2jmx s PRO 117 Ca 0.14 1.25 0.11 0.00 0.04 0.00 0.00 61.00 62.54 2jmx s PRO 117 Cb -0.18 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2jmx s PRO 117 CO -0.13 -1.02 -0.21 0.00 0.04 0.00 0.00 177.00 175.68 2jmx s THR 119 N -1.53 0.00 -0.58 0.00 2.01 -1.26 -5.28 115.64 109.00 2jmx s THR 119 Ca 0.20 -1.90 0.05 0.00 0.31 0.00 0.00 61.69 60.35 2jmx s THR 119 Cb -0.09 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 69.95 2jmx s THR 119 CO 0.10 0.00 0.65 0.52 -0.69 0.00 0.00 174.62 175.20