#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmx n ALA 2 N 0.00 3.00 -3.87 3.13 0.00 -1.26 -4.96 120.51 116.55 2jmx n ALA 2 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2jmx n ALA 2 Cb 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 2jmx n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jmx s LYS 3 N -1.55 2.22 0.34 0.00 1.02 -1.26 -5.07 119.74 115.44 2jmx s LYS 3 Ca 0.00 -3.08 0.07 0.00 0.02 0.00 0.00 55.97 52.98 2jmx s LYS 3 Cb 0.00 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 2jmx s LYS 3 CO 0.00 -1.25 0.31 -0.51 -0.92 0.00 0.00 175.35 172.98 2jmx s LEU 4 N -1.07 1.69 -0.49 3.17 1.43 -1.26 -5.12 118.68 117.03 2jmx s LEU 4 Ca 0.24 -1.75 0.05 0.00 -1.03 0.00 0.00 54.13 51.63 2jmx s LEU 4 Cb -0.09 0.69 0.18 0.00 0.03 0.00 0.00 46.19 47.00 2jmx s LEU 4 CO -0.13 -1.11 0.40 0.52 0.23 0.00 0.00 176.35 176.26 2jmx n VAL 5 N -0.63 -0.35 -4.09 -1.59 0.31 -1.26 -5.11 118.33 105.61 2jmx n VAL 5 Ca 0.07 -3.88 -0.09 0.00 -0.01 0.00 0.00 64.34 60.42 2jmx n VAL 5 Cb 0.62 -1.82 -0.10 0.00 -0.91 0.00 0.00 33.84 31.62 2jmx n VAL 5 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2jmx s ARG 6 N -0.49 0.61 0.46 5.55 0.52 -1.26 -5.14 118.95 119.20 2jmx s ARG 6 Ca 0.31 -1.07 -0.22 0.00 -0.52 0.00 0.00 55.73 54.23 2jmx s ARG 6 Cb 0.03 -0.01 -0.08 0.00 0.52 0.00 0.00 34.95 35.41 2jmx s ARG 6 CO -0.18 -0.05 1.10 -1.25 0.02 0.00 0.00 175.30 174.94 2jmx s PRO 7 N -3.08 3.84 0.87 3.54 0.04 -1.26 -5.03 135.00 133.91 2jmx s PRO 7 Ca 0.02 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 2jmx s PRO 7 Cb 0.01 -2.33 0.11 0.00 0.04 0.00 0.00 34.50 32.33 2jmx s PRO 7 CO -0.05 -0.44 1.10 -1.25 0.04 0.00 0.00 177.00 176.40 2jmx s PRO 8 N -2.82 1.52 -0.05 0.56 0.04 -1.26 -5.07 135.00 127.91 2jmx s PRO 8 Ca 0.64 0.63 -0.02 0.00 0.04 0.00 0.00 61.00 62.28 2jmx s PRO 8 Cb -0.23 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2jmx s PRO 8 CO 0.28 -2.01 0.06 0.08 0.04 0.00 0.00 177.00 175.45 2jmx s VAL 9 N -3.09 -0.10 0.03 -0.36 1.01 -1.26 -5.04 120.40 111.59 2jmx s VAL 9 Ca 0.62 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 2jmx s VAL 9 Cb -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 2jmx s VAL 9 CO 0.55 0.13 -0.05 0.00 0.00 0.00 0.00 175.10 175.73 2jmx n GLN 10 N 5.30 0.08 -4.73 2.72 6.02 -1.26 -5.07 117.38 120.44 2jmx n GLN 10 Ca -0.03 0.03 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 2jmx n GLN 10 Cb 0.50 -0.63 -0.14 0.00 1.02 0.00 0.00 30.24 30.98 2jmx n GLN 10 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2jmx s ILE 11 N -2.11 1.78 -0.43 5.09 1.10 -1.26 -4.82 121.20 120.56 2jmx s ILE 11 Ca -0.05 -1.23 0.05 0.00 -0.51 0.00 0.00 60.65 58.92 2jmx s ILE 11 Cb 0.01 -1.54 0.17 0.00 0.15 0.00 0.00 42.46 41.25 2jmx s ILE 11 CO 0.06 0.26 0.50 -0.72 -2.11 0.00 0.00 174.94 172.94 2jmx s TYR 12 N -0.78 -0.52 0.00 3.50 1.13 -1.26 -5.09 117.35 114.33 2jmx s TYR 12 Ca 0.09 -1.00 0.00 0.00 -1.41 0.00 0.00 57.07 54.74 2jmx s TYR 12 Cb -0.09 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 2jmx s TYR 12 CO 0.02 -1.05 0.00 0.41 -2.51 0.00 0.00 175.55 172.41 2jmx n GLY 13 N 3.51 3.26 0.50 5.49 0.00 -1.26 -4.89 105.19 111.80 2jmx n GLY 13 Ca 0.18 -0.58 0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 0.39 -0.87 -0.61 6.09 -2.00 0.20 117.51 120.72 2jmx h ILE 14 Ca 0.00 -0.04 0.16 0.00 -1.37 0.00 0.00 64.86 63.61 2jmx h ILE 14 Cb 0.00 0.26 -0.07 0.00 0.47 0.00 0.00 36.82 37.48 2jmx h ILE 14 CO 0.00 0.02 0.57 -0.33 -3.07 0.00 0.00 178.15 175.34 2jmx h GLU 15 N 0.12 0.53 -0.38 2.19 3.07 -1.96 0.15 114.58 118.31 2jmx h GLU 15 Ca 0.62 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 59.28 2jmx h GLU 15 Cb 2.15 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.93 2jmx h GLU 15 CO -0.13 0.35 -0.39 0.78 -1.40 0.00 0.00 179.01 178.22 2jmx h GLY 16 N 0.55 1.03 1.39 -3.84 0.00 -0.82 -2.76 103.07 98.61 2jmx h GLY 16 Ca 0.44 -1.06 0.07 0.00 0.00 0.00 0.00 47.33 46.79 2jmx h GLY 16 CO -0.18 0.96 0.24 3.21 0.00 0.00 0.00 176.54 180.76 2jmx h ARG 17 N 0.77 0.00 -0.15 4.80 3.08 -0.73 -1.89 114.38 120.26 2jmx h ARG 17 Ca 0.06 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2jmx h ARG 17 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 2jmx h ARG 17 CO 0.10 0.00 -0.03 1.88 -1.07 0.00 0.00 179.97 180.85 2jmx h TYR 18 N 0.00 -0.06 -0.15 3.04 -1.99 -1.14 1.05 116.97 117.72 2jmx h TYR 18 Ca 0.12 0.01 -0.18 0.00 2.00 0.00 0.00 58.73 60.68 2jmx h TYR 18 Cb 0.59 0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 2jmx h TYR 18 CO 0.00 -0.05 -0.65 0.00 -0.00 0.00 0.00 178.16 177.46 2jmx h ALA 19 N 1.14 0.59 -0.20 3.88 0.00 -1.51 -2.67 119.26 120.49 2jmx h ALA 19 Ca 0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2jmx h ALA 19 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jmx h ALA 19 CO -0.14 0.71 -0.32 1.15 0.00 0.00 0.00 179.25 180.65 2jmx h THR 20 N 0.40 1.28 0.00 0.00 2.02 -0.80 -0.04 112.91 115.77 2jmx h THR 20 Ca -0.01 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.78 2jmx h THR 20 Cb 1.22 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2jmx h THR 20 CO 0.12 0.43 0.00 0.00 0.37 0.00 0.00 175.52 176.44 2jmx n ALA 21 N -2.49 2.34 -0.12 6.16 0.00 0.36 -2.27 120.51 124.49 2jmx n ALA 21 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 2jmx n ALA 21 Cb 0.44 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 2jmx n ALA 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jmx n LEU 22 N -1.44 2.72 0.10 0.00 7.94 -0.87 -4.19 117.00 121.26 2jmx n LEU 22 Ca 0.09 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.11 2jmx n LEU 22 Cb 0.30 -0.91 0.45 0.00 0.53 0.00 0.00 43.42 43.79 2jmx n LEU 22 CO 0.25 0.84 0.86 0.00 -1.11 0.00 0.00 177.39 178.23 2jmx n TYR 23 N -3.51 0.67 -0.33 1.96 0.18 -0.08 -3.19 117.16 112.87 2jmx n TYR 23 Ca -0.46 0.24 0.12 0.00 1.88 0.00 0.00 57.90 59.67 2jmx n TYR 23 Cb 0.97 -0.89 0.30 0.00 -0.38 0.00 0.00 39.34 39.34 2jmx n TYR 23 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2jmx h SER 24 N 0.00 0.64 -0.11 9.48 4.64 -1.62 1.22 113.55 127.80 2jmx h SER 24 Ca 0.00 0.11 -0.21 0.00 -0.47 0.00 0.00 61.79 61.22 2jmx h SER 24 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2jmx h SER 24 CO 0.00 0.21 -0.75 0.00 -0.87 0.00 0.00 176.83 175.41 2jmx h ALA 25 N 1.64 0.24 -0.78 5.18 0.00 -1.81 -3.04 119.26 120.69 2jmx h ALA 25 Ca 0.55 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2jmx h ALA 25 Cb 0.88 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 2jmx h ALA 25 CO -0.41 0.60 0.43 0.00 0.00 0.00 0.00 179.25 179.87 2jmx h ALA 26 N 0.50 1.11 -0.83 0.00 0.00 -0.01 -1.09 119.26 118.94 2jmx h ALA 26 Ca -0.06 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jmx h ALA 26 Cb 1.39 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2jmx h ALA 26 CO 0.15 0.03 0.54 0.66 0.00 0.00 0.00 179.25 180.63 2jmx h SER 27 N 0.71 0.96 -0.50 0.00 4.64 0.12 -1.17 113.55 118.31 2jmx h SER 27 Ca 0.39 -0.04 0.15 0.00 -0.47 0.00 0.00 61.79 61.82 2jmx h SER 27 Cb 0.39 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2jmx h SER 27 CO -0.26 0.71 0.36 0.11 -0.87 0.00 0.00 176.83 176.88 2jmx h LYS 28 N 1.13 0.00 0.00 4.77 1.57 -1.08 -3.39 116.57 119.57 2jmx h LYS 28 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2jmx h LYS 28 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2jmx h LYS 28 CO -0.06 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.86 2jmx n GLN 29 N -4.38 0.00 -1.94 3.15 6.02 -0.68 -5.07 117.38 114.48 2jmx n GLN 29 Ca 0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.07 2jmx n GLN 29 Cb 0.58 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.85 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 -0.77 -0.47 -0.96 1.08 2.85 -0.53 -5.02 115.26 111.45 2jmx n ASN 30 Ca 0.00 -1.30 0.09 0.00 -0.11 0.00 0.00 54.58 53.26 2jmx n ASN 30 Cb 0.00 0.35 0.20 0.00 1.24 0.00 0.00 39.78 41.57 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 -0.30 2.38 -0.33 1.20 4.01 -0.80 -4.56 118.16 119.76 2jmx n LYS 31 Ca -0.10 -2.15 0.13 0.00 -0.51 0.00 0.00 58.31 55.68 2jmx n LYS 31 Cb 0.58 -1.42 0.31 0.00 -0.51 0.00 0.00 35.03 33.99 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2jmx h LEU 32 N 3.48 0.59 -0.01 -0.35 -0.00 -1.91 0.54 115.31 117.64 2jmx h LEU 32 Ca 0.00 0.12 -0.23 0.00 -0.00 0.00 0.00 57.88 57.76 2jmx h LEU 32 Cb 0.85 0.03 0.02 0.00 -0.00 0.00 0.00 40.66 41.56 2jmx h LEU 32 CO 0.00 0.16 -0.91 -0.33 -0.00 0.00 0.00 178.44 177.36 2jmx h GLU 33 N 0.60 0.64 -0.20 1.13 3.07 -1.97 0.84 114.58 118.69 2jmx h GLU 33 Ca 0.56 -0.67 0.06 0.00 -0.50 0.00 0.00 59.36 58.81 2jmx h GLU 33 Cb 0.94 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 2jmx h GLU 33 CO -0.43 1.26 0.16 1.96 -1.40 0.00 0.00 179.01 180.56 2jmx h GLN 34 N 0.28 0.00 0.00 2.33 1.08 -0.93 -2.74 115.11 115.13 2jmx h GLN 34 Ca -0.11 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.88 2jmx h GLN 34 Cb 1.57 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.96 2jmx h GLN 34 CO 0.18 0.00 -1.79 0.28 -0.95 0.00 0.00 178.83 176.55 2jmx n VAL 35 N -4.27 0.79 0.27 -0.54 0.31 0.16 -4.09 118.33 110.96 2jmx n VAL 35 Ca 0.02 -0.31 0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2jmx n VAL 35 Cb 0.30 -0.99 0.74 0.00 -0.91 0.00 0.00 33.84 32.98 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 0.00 0.00 0.04 5.55 4.81 0.69 -1.57 114.58 124.10 2jmx h GLU 36 Ca -0.31 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.55 2jmx h GLU 36 Cb 1.48 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.81 2jmx h GLU 36 CO -0.05 0.11 -2.24 1.63 -0.73 0.00 0.00 179.01 177.73 2jmx n LYS 37 N -3.71 0.69 -0.06 1.92 4.01 -1.04 -4.02 118.16 115.95 2jmx n LYS 37 Ca -0.02 0.18 -0.12 0.00 -0.51 0.00 0.00 58.31 57.85 2jmx n LYS 37 Cb 0.22 -1.61 0.01 0.00 -0.51 0.00 0.00 35.03 33.14 2jmx n LYS 37 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2jmx h GLU 38 N 0.03 0.78 -0.76 1.97 3.07 -1.70 -2.97 114.58 114.99 2jmx h GLU 38 Ca -0.50 -0.44 0.07 0.00 -0.50 0.00 0.00 59.36 57.99 2jmx h GLU 38 Cb 1.99 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 29.89 2jmx h GLU 38 CO -0.00 1.07 0.50 1.25 -1.40 0.00 0.00 179.01 180.43 2jmx h LEU 39 N 0.62 0.69 -1.28 1.33 5.85 -1.48 -1.11 115.31 119.91 2jmx h LEU 39 Ca 0.03 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2jmx h LEU 39 Cb 1.04 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2jmx h LEU 39 CO 0.10 0.43 0.51 0.25 -0.34 0.00 0.00 178.44 179.39 2jmx h LEU 40 N 0.77 0.79 -1.20 2.25 6.46 -1.65 -1.82 115.31 120.91 2jmx h LEU 40 Ca 0.34 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.14 2jmx h LEU 40 Cb 0.31 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 2jmx h LEU 40 CO -0.12 0.54 0.56 0.03 -0.62 0.00 0.00 178.44 178.82 2jmx h ARG 41 N 0.91 0.97 -0.88 1.25 2.47 -1.26 -1.64 114.38 116.21 2jmx h ARG 41 Ca 0.32 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.99 2jmx h ARG 41 Cb 0.11 -0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 28.16 2jmx h ARG 41 CO -0.10 0.64 0.58 0.28 0.56 0.00 0.00 179.97 181.94 2jmx h VAL 42 N 1.00 1.21 -0.06 2.04 2.07 -1.36 -1.44 116.25 119.70 2jmx h VAL 42 Ca 0.36 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2jmx h VAL 42 Cb 0.14 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2jmx h VAL 42 CO -0.12 0.21 0.02 1.23 0.02 0.00 0.00 177.57 178.94 2jmx h GLY 43 N 1.18 0.10 1.07 2.17 0.00 -1.32 -2.63 103.07 103.64 2jmx h GLY 43 Ca 0.33 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.65 2jmx h GLY 43 CO -0.08 0.05 0.51 1.46 0.00 0.00 0.00 176.54 178.48 2jmx h GLN 44 N -0.08 0.88 -0.53 4.80 4.20 -1.17 0.37 115.11 123.58 2jmx h GLN 44 Ca 0.02 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2jmx h GLN 44 Cb 0.18 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2jmx h GLN 44 CO -0.00 0.58 0.35 0.82 -0.67 0.00 0.00 178.83 179.91 2jmx h ILE 45 N 0.90 1.13 0.01 2.54 2.04 -0.95 0.85 117.51 124.03 2jmx h ILE 45 Ca 0.32 -0.24 -0.20 0.00 1.00 0.00 0.00 64.86 65.74 2jmx h ILE 45 Cb 0.13 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2jmx h ILE 45 CO -0.10 0.13 -0.94 0.25 0.00 0.00 0.00 178.15 177.49 2jmx h LEU 46 N 0.71 0.04 -0.62 1.44 5.85 -1.03 -3.19 115.31 118.51 2jmx h LEU 46 Ca 0.20 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 2jmx h LEU 46 Cb -0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2jmx h LEU 46 CO -0.05 0.96 -0.61 0.50 -0.34 0.00 0.00 178.44 178.90 2jmx h LYS 47 N 0.01 0.00 -6.56 1.25 3.64 0.20 -3.35 116.57 111.75 2jmx h LYS 47 Ca -0.02 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.77 2jmx h LYS 47 Cb 1.65 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 33.57 2jmx h LYS 47 CO 0.13 0.61 0.40 0.39 -2.27 0.00 0.00 179.45 178.71 2jmx n GLU 48 N -3.62 1.75 0.05 1.90 1.02 0.29 -4.77 120.64 117.27 2jmx n GLU 48 Ca -0.00 0.62 -0.07 0.00 -0.02 0.00 0.00 57.16 57.68 2jmx n GLU 48 Cb 0.65 -2.15 0.09 0.00 -0.02 0.00 0.00 31.44 30.01 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 3.02 0.39 0.08 3.49 0.13 -1.89 0.85 132.00 138.07 2jmx h PRO 49 Ca -0.43 -0.26 -0.25 0.00 -0.87 0.00 0.00 66.00 64.19 2jmx h PRO 49 Cb 1.31 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2jmx h PRO 49 CO 0.67 0.86 -1.14 -0.22 -0.23 0.00 0.00 178.00 177.94 2jmx h LYS 50 N 0.29 0.24 0.00 0.86 3.11 -1.94 -3.31 116.57 115.82 2jmx h LYS 50 Ca -0.00 -0.38 -0.19 0.00 -2.81 0.00 0.00 60.65 57.27 2jmx h LYS 50 Cb 1.10 0.13 -0.03 0.00 -1.00 0.00 0.00 32.23 32.44 2jmx h LYS 50 CO 0.10 1.15 -1.25 1.98 -2.81 0.00 0.00 179.45 178.62 2jmx h MET 51 N 0.09 0.00 -0.99 1.90 4.05 -1.79 -3.35 114.93 114.83 2jmx h MET 51 Ca -0.10 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.42 2jmx h MET 51 Cb 1.85 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 32.57 2jmx h MET 51 CO 0.18 0.47 0.63 0.00 0.23 0.00 0.00 176.91 178.43 2jmx h ALA 52 N 1.28 1.51 -0.52 0.39 0.00 0.65 0.13 119.26 122.70 2jmx h ALA 52 Ca -0.14 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2jmx h ALA 52 Cb 1.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2jmx h ALA 52 CO 0.07 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 2jmx h ALA 53 N 1.52 0.92 -0.15 0.00 0.00 -1.70 -0.24 119.26 119.61 2jmx h ALA 53 Ca 0.47 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2jmx h ALA 53 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jmx h ALA 53 CO -0.23 0.64 -0.74 0.77 0.00 0.00 0.00 179.25 179.69 2jmx h SER 54 N 0.84 0.81 0.83 0.00 0.02 -1.36 0.21 113.55 114.90 2jmx h SER 54 Ca 0.15 -0.52 -0.13 0.00 -0.84 0.00 0.00 61.79 60.45 2jmx h SER 54 Cb 0.58 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2jmx h SER 54 CO 0.04 1.30 -0.60 0.25 -1.14 0.00 0.00 176.83 176.67 2jmx h LEU 55 N 0.48 0.00 0.00 5.07 5.85 -0.69 -3.27 115.31 122.75 2jmx h LEU 55 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jmx h LEU 55 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2jmx h LEU 55 CO 0.15 0.60 -1.59 -0.11 -0.34 0.00 0.00 178.44 177.15 2jmx n LEU 56 N -3.60 0.34 -4.52 2.25 0.00 -0.11 -4.99 117.00 106.37 2jmx n LEU 56 Ca -0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 56.01 55.59 2jmx n LEU 56 Cb 0.65 -0.02 0.04 0.00 0.00 0.00 0.00 43.42 44.09 2jmx n LEU 56 CO 0.41 0.02 0.24 0.59 0.00 0.00 0.00 177.39 178.65 2jmx n ASN 57 N -2.17 -0.32 -0.03 1.96 4.13 0.75 -4.87 115.26 114.71 2jmx n ASN 57 Ca -0.02 0.80 0.16 0.00 1.68 0.00 0.00 54.58 57.20 2jmx n ASN 57 Cb 0.51 -1.24 0.92 0.00 -1.54 0.00 0.00 39.78 38.43 2jmx n ASN 57 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2jmx n PRO 58 N -0.23 1.02 -0.02 3.52 -0.04 -1.26 -3.64 135.00 134.35 2jmx n PRO 58 Ca 0.12 -0.06 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2jmx n PRO 58 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.15 0.01 -0.54 0.54 0.05 -1.94 -3.34 116.97 111.90 2jmx h TYR 59 Ca 0.00 -0.01 0.16 0.00 0.05 0.00 0.00 58.73 58.93 2jmx h TYR 59 Cb 0.04 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 2jmx h TYR 59 CO 0.00 1.01 0.45 0.28 -1.05 0.00 0.00 178.16 178.85 2jmx h VAL 60 N 0.00 0.54 -1.77 -2.88 2.07 -1.85 -3.48 116.25 108.89 2jmx h VAL 60 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2jmx h VAL 60 Cb 2.00 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2jmx h VAL 60 CO 0.08 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.84 2jmx n LYS 61 N -4.06 0.00 -0.05 1.57 4.81 -1.26 -2.67 118.16 116.50 2jmx n LYS 61 Ca 0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.45 2jmx n LYS 61 Cb 0.67 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.69 2jmx n LYS 61 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2jmx n ARG 62 N -1.62 0.36 -0.26 1.64 3.00 -1.26 -3.92 116.66 114.61 2jmx n ARG 62 Ca 0.00 0.15 -0.03 0.00 -0.00 0.00 0.00 57.85 57.97 2jmx n ARG 62 Cb 0.00 -1.12 0.09 0.00 0.00 0.00 0.00 32.46 31.43 2jmx n ARG 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2jmx h SER 63 N -0.66 0.73 -0.63 6.15 4.64 -1.94 -1.53 113.55 120.31 2jmx h SER 63 Ca -0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 2jmx h SER 63 Cb 0.83 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 2jmx h SER 63 CO -0.06 0.50 0.11 0.58 -0.87 0.00 0.00 176.83 177.08 2jmx h VAL 64 N 0.87 1.26 -0.73 0.95 2.07 -1.83 -2.65 116.25 116.19 2jmx h VAL 64 Ca 0.30 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.85 2jmx h VAL 64 Cb 0.05 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2jmx h VAL 64 CO -0.12 0.37 0.48 0.50 0.02 0.00 0.00 177.57 178.81 2jmx h LYS 65 N 0.94 0.88 -0.89 1.57 3.64 -1.11 -2.02 116.57 119.58 2jmx h LYS 65 Ca 0.19 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2jmx h LYS 65 Cb 0.42 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2jmx h LYS 65 CO 0.01 0.58 0.58 0.28 -2.27 0.00 0.00 179.45 178.63 2jmx h VAL 66 N 0.90 1.18 -0.64 2.00 2.07 -0.94 -1.90 116.25 118.93 2jmx h VAL 66 Ca 0.28 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 2jmx h VAL 66 Cb 0.02 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 2jmx h VAL 66 CO -0.08 0.21 0.08 0.50 0.02 0.00 0.00 177.57 178.31 2jmx h LYS 67 N 1.16 1.08 -0.83 1.57 3.64 -1.34 -2.69 116.57 119.15 2jmx h LYS 67 Ca 0.34 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jmx h LYS 67 Cb -0.05 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2jmx h LYS 67 CO -0.10 1.00 0.53 0.77 -2.27 0.00 0.00 179.45 179.39 2jmx h SER 68 N 0.99 0.98 -0.09 4.20 0.02 -1.04 0.47 113.55 119.07 2jmx h SER 68 Ca 0.19 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2jmx h SER 68 Cb 0.47 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 2jmx h SER 68 CO 0.02 0.72 0.04 -0.07 -1.14 0.00 0.00 176.83 176.40 2jmx h LEU 69 N 1.14 0.12 -0.53 5.07 3.38 -1.05 0.38 115.31 123.82 2jmx h LEU 69 Ca 0.30 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2jmx h LEU 69 Cb -0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2jmx h LEU 69 CO -0.06 0.22 0.18 -1.28 0.09 0.00 0.00 178.44 177.59 2jmx h SER 70 N 0.02 0.77 0.98 -0.43 0.87 -1.20 0.41 113.55 114.96 2jmx h SER 70 Ca 0.03 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2jmx h SER 70 Cb 0.13 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2jmx h SER 70 CO -0.00 0.76 0.00 -0.78 -0.53 0.00 0.00 176.83 176.28 2jmx h ASP 71 N 0.73 0.00 0.07 6.23 1.82 -0.71 -0.77 116.42 123.79 2jmx h ASP 71 Ca 0.17 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.52 2jmx h ASP 71 Cb 0.26 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2jmx h ASP 71 CO -0.01 0.00 -1.56 -0.03 -1.61 0.00 0.00 179.24 176.03 2jmx h MET 72 N 0.00 0.15 -0.78 0.28 4.05 0.47 -3.29 114.93 115.81 2jmx h MET 72 Ca 0.00 -0.26 0.03 0.00 -0.28 0.00 0.00 59.70 59.19 2jmx h MET 72 Cb 0.49 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.35 2jmx h MET 72 CO 0.00 1.12 0.51 1.15 0.23 0.00 0.00 176.91 179.93 2jmx h THR 73 N -0.45 1.13 -0.89 -0.77 2.02 -0.13 0.89 112.91 114.71 2jmx h THR 73 Ca -0.36 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.49 2jmx h THR 73 Cb 1.67 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2jmx h THR 73 CO -0.04 0.18 0.59 0.00 0.37 0.00 0.00 175.52 176.62 2jmx h ALA 74 N 1.54 1.37 0.03 6.16 0.00 -1.26 -1.91 119.26 125.19 2jmx h ALA 74 Ca 0.31 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.86 2jmx h ALA 74 Cb 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2jmx h ALA 74 CO -0.09 0.58 -1.73 -0.22 0.00 0.00 0.00 179.25 177.80 2jmx h LYS 75 N 1.20 0.06 0.00 0.00 1.63 -1.36 -3.34 116.57 114.76 2jmx h LYS 75 Ca 0.33 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2jmx h LYS 75 Cb -0.13 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2jmx h LYS 75 CO -0.07 0.66 0.00 -1.91 -3.45 0.00 0.00 179.45 174.67 2jmx n GLU 76 N -3.15 0.14 -3.51 1.90 0.00 0.30 -4.90 120.64 111.43 2jmx n GLU 76 Ca -0.19 0.39 -0.19 0.00 0.00 0.00 0.00 57.16 57.17 2jmx n GLU 76 Cb 1.05 -1.77 0.08 0.00 0.00 0.00 0.00 31.44 30.79 2jmx n GLU 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2jmx n LYS 77 N -2.04 -6.57 -0.04 5.31 0.00 -0.74 -4.97 118.16 109.11 2jmx n LYS 77 Ca 0.02 0.81 -0.03 0.00 0.00 0.00 0.00 58.31 59.11 2jmx n LYS 77 Cb 0.21 -5.76 0.03 0.00 0.00 0.00 0.00 35.03 29.50 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2jmx n PHE 78 N -4.31 -1.82 -2.75 5.64 3.72 -1.23 -5.01 117.46 111.70 2jmx n PHE 78 Ca -0.23 -0.06 -0.22 0.00 -0.05 0.00 0.00 57.45 56.88 2jmx n PHE 78 Cb 0.65 -0.16 0.10 0.00 -0.94 0.00 0.00 39.48 39.13 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 -1.91 4.51 0.28 4.37 0.01 -1.26 -4.96 113.70 114.73 2jmx s SER 79 Ca 0.07 -0.58 0.24 0.00 1.31 0.00 0.00 55.95 56.98 2jmx s SER 79 Cb -0.01 0.20 1.01 0.00 0.21 0.00 0.00 66.02 67.43 2jmx s SER 79 CO 0.06 -1.76 1.72 -0.81 0.41 0.00 0.00 173.24 172.86 2jmx n PRO 80 N -2.68 0.20 -0.32 12.44 -0.04 -1.26 -2.73 135.00 140.62 2jmx n PRO 80 Ca 0.16 0.45 0.08 0.00 -0.04 0.00 0.00 63.50 64.14 2jmx n PRO 80 Cb 0.61 -1.90 0.17 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.28 2.63 -0.02 1.53 4.77 -1.26 -4.67 117.00 117.71 2jmx n LEU 81 Ca 0.02 -3.43 0.00 0.00 -0.03 0.00 0.00 56.01 52.57 2jmx n LEU 81 Cb 0.22 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2jmx n LEU 81 CO 0.19 1.00 0.43 0.41 -1.33 0.00 0.00 177.39 178.09 2jmx n THR 82 N -1.26 0.70 -1.66 -5.08 -1.04 -1.10 -4.61 114.28 100.22 2jmx n THR 82 Ca 0.18 -0.85 -0.28 0.00 -2.04 0.00 0.00 64.05 61.06 2jmx n THR 82 Cb 0.69 0.65 0.06 0.00 -1.82 0.00 0.00 70.33 69.91 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 -0.32 6.05 0.15 8.00 2.88 -1.26 -3.89 113.62 125.23 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 0.18 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 -0.83 -0.79 0.18 -3.46 2.85 -1.26 -4.79 115.26 107.15 2jmx n ASN 84 Ca 0.52 0.52 0.15 0.00 -0.11 0.00 0.00 54.58 55.67 2jmx n ASN 84 Cb 0.84 0.93 0.75 0.00 1.24 0.00 0.00 39.78 43.55 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 -1.24 1.20 5.85 -1.81 -0.28 115.31 119.02 2jmx h LEU 85 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 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 0.52 -0.29 -0.34 0.00 0.00 178.44 178.33 2jmx h ILE 86 N 0.00 1.15 -0.15 4.05 2.10 -1.87 -1.90 117.51 120.90 2jmx h ILE 86 Ca 0.10 -0.35 -0.03 0.00 1.08 0.00 0.00 64.86 65.66 2jmx h ILE 86 Cb 0.45 0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 36.24 2jmx h ILE 86 CO -0.00 0.18 -0.02 0.78 -1.08 0.00 0.00 178.15 178.02 2jmx h ASN 87 N 1.01 0.27 -0.98 2.19 2.35 -1.36 -2.83 115.58 116.23 2jmx h ASN 87 Ca 0.31 -0.34 0.17 0.00 -0.55 0.00 0.00 56.30 55.88 2jmx h ASN 87 Cb -0.02 -0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.18 2jmx h ASN 87 CO -0.08 0.55 0.59 -0.07 -1.65 0.00 0.00 177.43 176.77 2jmx h LEU 88 N -0.01 0.79 -0.92 1.61 4.07 -1.35 0.75 115.31 120.26 2jmx h LEU 88 Ca 0.04 0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2jmx h LEU 88 Cb 0.42 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 2jmx h LEU 88 CO 0.01 0.32 0.51 -0.07 -1.08 0.00 0.00 178.44 178.13 2jmx h LEU 89 N 0.80 1.13 -3.70 1.67 3.38 -1.15 -2.29 115.31 115.15 2jmx h LEU 89 Ca 0.54 -0.10 -0.36 0.00 0.09 0.00 0.00 57.88 58.06 2jmx h LEU 89 Cb 0.77 -0.29 -0.21 0.00 0.09 0.00 0.00 40.66 41.01 2jmx h LEU 89 CO -0.35 0.90 0.31 0.00 0.09 0.00 0.00 178.44 179.39 2jmx n ALA 90 N -2.41 5.01 -0.13 1.53 0.00 0.37 -0.75 120.51 124.13 2jmx n ALA 90 Ca 0.10 -3.01 -0.25 0.00 0.00 0.00 0.00 53.44 50.28 2jmx n ALA 90 Cb 0.09 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.12 0.56 -0.73 0.00 4.07 0.24 -4.64 120.64 119.01 2jmx n GLU 91 Ca 0.47 0.22 -0.02 0.00 -0.06 0.00 0.00 57.16 57.77 2jmx n GLU 91 Cb 1.38 -1.43 0.21 0.00 -0.06 0.00 0.00 31.44 31.53 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 -3.92 2.57 -1.01 4.31 3.02 -1.25 -4.94 115.26 114.04 2jmx n ASN 92 Ca -0.49 -3.68 0.00 0.00 -0.03 0.00 0.00 54.58 50.38 2jmx n ASN 92 Cb 0.89 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2jmx n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jmx n GLY 93 N -1.07 0.46 1.84 7.41 0.00 -1.26 -4.98 105.19 107.59 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 0.54 0.00 0.00 0.00 173.32 173.86 2jmx n ARG 94 N -1.01 2.22 -3.51 1.61 3.00 0.07 -4.82 116.66 114.22 2jmx n ARG 94 Ca 0.00 -3.18 -0.41 0.00 -0.01 0.00 0.00 57.85 54.25 2jmx n ARG 94 Cb 0.50 -2.07 -0.04 0.00 0.00 0.00 0.00 32.46 30.85 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 -3.37 5.96 0.04 0.55 1.43 -1.21 -4.30 118.68 117.78 2jmx s LEU 95 Ca 0.53 -3.28 0.00 0.00 -1.03 0.00 0.00 54.13 50.35 2jmx s LEU 95 Cb 0.45 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.63 2jmx s LEU 95 CO 0.05 -0.33 0.00 0.35 0.23 0.00 0.00 176.35 176.64 2jmx n THR 96 N 3.03 0.00 -0.67 5.49 -2.24 -1.26 -4.91 114.28 113.72 2jmx n THR 96 Ca 0.18 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.00 2jmx n THR 96 Cb 0.40 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.41 5.05 -0.32 3.42 3.02 -1.26 -4.70 115.26 118.06 2jmx n ASN 97 Ca 0.00 -2.85 0.02 0.00 -0.03 0.00 0.00 54.58 51.72 2jmx n ASN 97 Cb 0.00 -0.67 0.07 0.00 -0.61 0.00 0.00 39.78 38.57 2jmx n ASN 97 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jmx n THR 98 N 0.45 -0.42 -0.18 3.41 -1.04 -1.26 0.10 114.28 115.35 2jmx n THR 98 Ca 0.26 2.00 -0.01 0.00 -2.04 0.00 0.00 64.05 64.25 2jmx n THR 98 Cb 1.11 -2.69 0.21 0.00 -1.82 0.00 0.00 70.33 67.14 2jmx n THR 98 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2jmx h PRO 99 N 0.00 0.93 -0.66 -2.82 0.13 -1.90 -1.68 132.00 126.00 2jmx h PRO 99 Ca 0.34 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2jmx h PRO 99 Cb 0.56 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 2jmx h PRO 99 CO -0.87 0.71 0.41 0.00 -0.23 0.00 0.00 178.00 178.03 2jmx h ALA 100 N 1.43 1.49 -0.59 -0.56 0.00 0.33 -0.21 119.26 121.14 2jmx h ALA 100 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2jmx h ALA 100 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2jmx h ALA 100 CO -0.03 0.46 0.02 0.28 0.00 0.00 0.00 179.25 179.97 2jmx h VAL 101 N 0.90 1.26 -0.11 0.00 2.07 -0.55 -2.96 116.25 116.86 2jmx h VAL 101 Ca 0.24 -1.12 -0.15 0.00 0.82 0.00 0.00 66.70 66.49 2jmx h VAL 101 Cb -0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2jmx h VAL 101 CO -0.05 0.40 -0.58 0.40 0.02 0.00 0.00 177.57 177.76 2jmx h ILE 102 N 0.92 1.36 -0.71 4.57 2.04 -0.99 -3.17 117.51 121.52 2jmx h ILE 102 Ca 0.17 -1.90 0.07 0.00 1.00 0.00 0.00 64.86 64.19 2jmx h ILE 102 Cb 0.53 1.92 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 2jmx h ILE 102 CO 0.03 0.57 0.40 0.28 0.00 0.00 0.00 178.15 179.43 2jmx h SER 103 N 0.26 0.58 -0.49 1.72 0.02 -0.89 -0.18 113.55 114.56 2jmx h SER 103 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2jmx h SER 103 Cb 1.09 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2jmx h SER 103 CO 0.10 0.36 0.32 0.00 -1.14 0.00 0.00 176.83 176.47 2jmx h ALA 104 N 1.38 1.63 -0.40 3.77 0.00 -1.52 -2.27 119.26 121.85 2jmx h ALA 104 Ca 0.33 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.24 2jmx h ALA 104 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2jmx h ALA 104 CO -0.20 0.34 0.17 0.35 0.00 0.00 0.00 179.25 179.90 2jmx h PHE 105 N 0.68 0.31 -0.17 0.00 3.04 -1.06 0.11 116.94 119.84 2jmx h PHE 105 Ca 0.18 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.09 2jmx h PHE 105 Cb -0.07 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 2jmx h PHE 105 CO 0.00 0.14 -0.16 1.03 -2.02 0.00 0.00 178.31 177.30 2jmx h SER 106 N 0.35 0.27 -0.09 0.41 0.87 -1.21 0.81 113.55 114.96 2jmx h SER 106 Ca 0.18 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 2jmx h SER 106 Cb 0.13 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2jmx h SER 106 CO -0.16 0.46 -0.45 0.74 -0.53 0.00 0.00 176.83 176.89 2jmx h THR 107 N 0.27 1.39 -0.01 2.23 2.02 -0.90 -2.52 112.91 115.38 2jmx h THR 107 Ca 0.05 -1.80 -0.21 0.00 0.77 0.00 0.00 66.41 65.22 2jmx h THR 107 Cb 0.45 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2jmx h THR 107 CO 0.03 0.53 -0.89 -0.03 0.37 0.00 0.00 175.52 175.54 2jmx h MET 108 N 0.03 0.30 -0.98 6.66 1.85 -0.69 -3.11 114.93 118.99 2jmx h MET 108 Ca -0.03 -0.32 0.09 0.00 -0.61 0.00 0.00 59.70 58.83 2jmx h MET 108 Cb 1.10 0.09 -0.07 0.00 0.43 0.00 0.00 31.60 33.14 2jmx h MET 108 CO 0.09 1.01 0.63 1.98 -0.40 0.00 0.00 176.91 180.23 2jmx h MET 109 N 0.17 1.01 -0.49 0.39 -1.53 0.65 0.53 114.93 115.66 2jmx h MET 109 Ca -0.06 -0.06 0.01 0.00 -3.44 0.00 0.00 59.70 56.15 2jmx h MET 109 Cb 1.51 -0.23 -0.03 0.00 -0.55 0.00 0.00 31.60 32.31 2jmx h MET 109 CO 0.14 0.67 0.33 0.66 0.14 0.00 0.00 176.91 178.85 2jmx h SER 110 N 1.05 0.54 0.77 1.39 4.64 -1.38 -0.18 113.55 120.37 2jmx h SER 110 Ca 0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2jmx h SER 110 Cb 0.35 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2jmx h SER 110 CO -0.21 0.39 0.00 0.52 -0.87 0.00 0.00 176.83 176.66 2jmx n VAL 111 N -4.47 0.55 0.14 0.95 0.31 0.15 -2.88 118.33 113.09 2jmx n VAL 111 Ca 0.05 0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.58 2jmx n VAL 111 Cb 0.08 -0.78 0.05 0.00 -0.91 0.00 0.00 33.84 32.28 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 0.12 3.52 -0.00 -0.74 -3.23 115.15 114.82 2jmx h HIS 112 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.09 2jmx h HIS 112 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2jmx h HIS 112 CO 0.00 0.17 -1.21 -0.09 -0.00 0.00 0.00 177.93 176.79 2jmx h ARG 113 N 0.00 0.37 -0.94 5.12 9.65 -1.52 -3.31 114.38 123.75 2jmx h ARG 113 Ca -0.02 -0.56 -0.65 0.00 -1.10 0.00 0.00 59.98 57.65 2jmx h ARG 113 Cb 1.15 0.20 -0.33 0.00 -1.39 0.00 0.00 29.97 29.60 2jmx h ARG 113 CO 0.02 1.24 0.45 0.41 2.80 0.00 0.00 179.97 184.89 2jmx n GLY 114 N 1.42 6.01 2.61 2.80 0.00 -1.25 -4.51 105.19 112.28 2jmx n GLY 114 Ca -0.10 -2.40 -0.02 0.00 0.00 0.00 0.00 46.02 43.50 2jmx n GLY 114 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jmx n GLU 115 N -0.87 1.33 -3.94 1.61 2.13 -1.22 -5.04 120.64 114.64 2jmx n GLU 115 Ca 0.58 -1.33 -0.20 0.00 0.66 0.00 0.00 57.16 56.87 2jmx n GLU 115 Cb 0.74 0.32 -0.17 0.00 0.27 0.00 0.00 31.44 32.60 2jmx n GLU 115 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jmx s VAL 116 N -0.10 0.34 0.71 6.31 1.01 -1.26 -4.93 120.40 122.49 2jmx s VAL 116 Ca 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 2jmx s VAL 116 Cb 0.42 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 36.39 2jmx s VAL 116 CO -0.12 0.21 1.07 -2.16 0.00 0.00 0.00 175.10 174.10 2jmx s PRO 117 N 1.33 2.73 -0.00 2.72 0.04 -1.26 -5.08 135.00 135.48 2jmx s PRO 117 Ca -0.05 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.01 2jmx s PRO 117 Cb -0.13 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 2jmx s PRO 117 CO -0.02 -1.27 0.05 0.00 0.04 0.00 0.00 177.00 175.80 2jmx n THR 119 N 2.24 1.18 -1.35 0.00 5.66 -1.26 -5.34 114.28 115.41 2jmx n THR 119 Ca -0.18 -2.78 0.00 0.00 -3.05 0.00 0.00 64.05 58.04 2jmx n THR 119 Cb 0.57 1.29 0.00 0.00 -1.55 0.00 0.00 70.33 70.64 2jmx n THR 119 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57