#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 2.71 -2.67 3.13 0.00 -1.26 -5.15 120.51 117.28 2jmx n ALA 2 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2jmx n ALA 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.79 2.21 -0.03 0.00 1.02 -1.26 -5.16 119.74 114.73 2jmx s LYS 3 Ca 0.00 -2.30 -0.03 0.00 0.02 0.00 0.00 55.97 53.66 2jmx s LYS 3 Cb 0.00 -1.67 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 2jmx s LYS 3 CO 0.00 -0.41 0.09 -1.17 -0.92 0.00 0.00 175.35 172.93 2jmx s LEU 4 N -3.97 1.60 0.14 3.17 0.20 -1.26 -5.16 118.68 113.39 2jmx s LEU 4 Ca 0.13 0.18 0.08 0.00 0.69 0.00 0.00 54.13 55.21 2jmx s LEU 4 Cb 0.01 0.29 -0.04 0.00 -0.43 0.00 0.00 46.19 46.01 2jmx s LEU 4 CO 0.08 -0.04 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.28 2jmx s VAL 5 N 0.14 3.11 -0.37 1.68 1.01 -1.26 -5.10 120.40 119.61 2jmx s VAL 5 Ca -0.01 -1.49 0.02 0.00 0.00 0.00 0.00 61.98 60.50 2jmx s VAL 5 Cb -0.02 -2.47 0.15 0.00 0.00 0.00 0.00 36.38 34.04 2jmx s VAL 5 CO -0.00 0.03 0.28 -0.13 0.00 0.00 0.00 175.10 175.27 2jmx s ARG 6 N -2.40 0.67 0.53 2.72 0.52 -1.26 -5.13 118.95 114.60 2jmx s ARG 6 Ca 0.21 -1.52 -0.19 0.00 -0.52 0.00 0.00 55.73 53.71 2jmx s ARG 6 Cb -0.10 -1.26 -0.07 0.00 0.52 0.00 0.00 34.95 34.05 2jmx s ARG 6 CO 0.13 -1.27 1.07 -1.25 0.02 0.00 0.00 175.30 174.00 2jmx s PRO 7 N 0.79 3.56 0.67 3.54 0.04 -1.26 -5.05 135.00 137.30 2jmx s PRO 7 Ca 0.23 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 2jmx s PRO 7 Cb -0.13 -2.05 0.16 0.00 0.04 0.00 0.00 34.50 32.52 2jmx s PRO 7 CO -0.06 -0.64 0.67 -0.35 0.04 0.00 0.00 177.00 176.66 2jmx n PRO 8 N -1.28 -1.86 -3.67 0.56 -0.04 -1.26 -5.09 135.00 122.36 2jmx n PRO 8 Ca 0.10 -1.06 -0.11 0.00 -0.04 0.00 0.00 63.50 62.39 2jmx n PRO 8 Cb 0.52 -0.91 -0.11 0.00 -0.04 0.00 0.00 33.50 32.96 2jmx n PRO 8 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jmx s VAL 9 N -2.29 -0.43 -0.29 0.52 -7.23 -1.26 -5.15 120.40 104.27 2jmx s VAL 9 Ca 0.42 0.20 -0.20 0.00 -1.81 0.00 0.00 61.98 60.58 2jmx s VAL 9 Cb -0.03 -0.55 0.16 0.00 0.56 0.00 0.00 36.38 36.51 2jmx s VAL 9 CO 0.31 0.08 1.14 -1.58 -0.31 0.00 0.00 175.10 174.75 2jmx s GLN 10 N 2.27 0.29 0.32 4.82 0.74 -1.26 -5.08 119.66 121.76 2jmx s GLN 10 Ca -0.02 0.41 0.00 0.00 0.05 0.00 0.00 55.36 55.80 2jmx s GLN 10 Cb -0.11 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.10 2jmx s GLN 10 CO -0.11 -0.05 0.00 -0.89 -0.55 0.00 0.00 175.29 173.70 2jmx n ILE 11 N 2.73 -9.75 0.14 -2.34 -0.00 -1.26 -5.06 119.36 103.82 2jmx n ILE 11 Ca -0.15 3.16 0.00 0.00 -0.00 0.00 0.00 62.75 65.76 2jmx n ILE 11 Cb 0.57 -4.56 0.00 0.00 -0.00 0.00 0.00 39.64 35.64 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 1.22 -2.67 0.00 1.39 4.02 -1.26 -5.06 117.16 114.80 2jmx n TYR 12 Ca 0.00 0.58 0.00 0.00 -0.01 0.00 0.00 57.90 58.47 2jmx n TYR 12 Cb 0.00 1.07 0.00 0.00 -0.02 0.00 0.00 39.34 40.39 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jmx n GLY 13 N 1.05 -1.69 0.40 2.72 0.00 -1.26 -4.94 105.19 101.47 2jmx n GLY 13 Ca 0.00 0.66 0.21 0.00 0.00 0.00 0.00 46.02 46.89 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 0.59 -0.23 -0.61 6.09 -2.01 0.33 117.51 121.67 2jmx h ILE 14 Ca 0.00 -0.15 -0.19 0.00 -1.37 0.00 0.00 64.86 63.16 2jmx h ILE 14 Cb 0.00 0.12 0.00 0.00 0.47 0.00 0.00 36.82 37.41 2jmx h ILE 14 CO 0.00 0.08 -0.60 -0.33 -3.07 0.00 0.00 178.15 174.23 2jmx h GLU 15 N 0.43 0.75 -0.35 2.19 5.08 -1.99 -2.80 114.58 117.89 2jmx h GLU 15 Ca 0.55 -0.50 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2jmx h GLU 15 Cb 1.35 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2jmx h GLU 15 CO -0.26 1.13 -0.18 0.78 -1.00 0.00 0.00 179.01 179.48 2jmx h GLY 16 N 0.81 0.81 1.75 -3.84 0.00 -1.00 -2.72 103.07 98.87 2jmx h GLY 16 Ca -0.00 -0.73 0.03 0.00 0.00 0.00 0.00 47.33 46.63 2jmx h GLY 16 CO 0.12 0.66 0.10 3.21 0.00 0.00 0.00 176.54 180.64 2jmx h ARG 17 N 0.53 0.00 -0.41 4.80 2.47 -0.47 -1.38 114.38 119.93 2jmx h ARG 17 Ca 0.08 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 2jmx h ARG 17 Cb 0.72 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.02 2jmx h ARG 17 CO 0.05 0.00 0.22 1.88 0.56 0.00 0.00 179.97 182.68 2jmx h TYR 18 N 0.00 0.56 0.00 3.04 -1.99 -1.20 1.13 116.97 118.51 2jmx h TYR 18 Ca 0.05 -0.02 -0.25 0.00 2.00 0.00 0.00 58.73 60.51 2jmx h TYR 18 Cb 0.24 -0.18 0.01 0.00 2.00 0.00 0.00 36.73 38.81 2jmx h TYR 18 CO 0.00 0.44 -1.01 0.00 -0.00 0.00 0.00 178.16 177.59 2jmx h ALA 19 N 1.07 0.21 0.00 3.88 0.00 -1.46 -2.87 119.26 120.09 2jmx h ALA 19 Ca 0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 2jmx h ALA 19 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jmx h ALA 19 CO -0.02 0.74 -0.51 1.79 0.00 0.00 0.00 179.25 181.24 2jmx h THR 20 N 0.33 1.09 0.00 0.00 1.35 -1.09 0.21 112.91 114.80 2jmx h THR 20 Ca -0.11 -1.95 0.00 0.00 -0.55 0.00 0.00 66.41 63.79 2jmx h THR 20 Cb 1.66 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 2jmx h THR 20 CO 0.19 0.50 0.00 0.00 -0.25 0.00 0.00 175.52 175.96 2jmx h ALA 21 N 1.49 1.00 0.01 6.62 0.00 0.13 0.27 119.26 128.78 2jmx h ALA 21 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 2jmx h ALA 21 Cb 1.10 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2jmx h ALA 21 CO 0.07 0.00 -2.40 -0.11 0.00 0.00 0.00 179.25 176.81 2jmx n LEU 22 N -2.89 2.55 0.14 0.00 7.94 -1.08 -4.25 117.00 119.41 2jmx n LEU 22 Ca 0.04 0.08 0.13 0.00 -1.11 0.00 0.00 56.01 55.15 2jmx n LEU 22 Cb 0.50 -0.90 0.42 0.00 0.53 0.00 0.00 43.42 43.97 2jmx n LEU 22 CO 0.33 0.78 0.88 0.10 -1.11 0.00 0.00 177.39 178.36 2jmx h TYR 23 N -0.38 0.00 -1.00 1.96 -0.00 -0.71 -3.18 116.97 113.66 2jmx h TYR 23 Ca -0.60 0.00 0.18 0.00 0.00 0.00 0.00 58.73 58.31 2jmx h TYR 23 Cb 1.79 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 38.41 2jmx h TYR 23 CO -0.00 0.00 0.61 0.66 -0.00 0.00 0.00 178.16 179.43 2jmx h SER 24 N 0.00 0.80 -0.11 0.10 4.64 -1.10 1.12 113.55 119.00 2jmx h SER 24 Ca 0.00 0.09 -0.20 0.00 -0.47 0.00 0.00 61.79 61.21 2jmx h SER 24 Cb 0.64 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2jmx h SER 24 CO 0.00 0.30 -0.70 0.00 -0.87 0.00 0.00 176.83 175.57 2jmx h ALA 25 N 1.63 0.24 -0.99 5.18 0.00 -1.79 -3.12 119.26 120.40 2jmx h ALA 25 Ca 0.57 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2jmx h ALA 25 Cb 0.84 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2jmx h ALA 25 CO -0.37 0.55 0.63 0.00 0.00 0.00 0.00 179.25 180.07 2jmx h ALA 26 N 0.49 1.49 -1.00 0.00 0.00 -0.19 -0.95 119.26 119.10 2jmx h ALA 26 Ca -0.06 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2jmx h ALA 26 Cb 1.34 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 2jmx h ALA 26 CO 0.14 0.31 0.63 1.03 0.00 0.00 0.00 179.25 181.36 2jmx h SER 27 N 1.05 0.91 0.17 0.00 0.87 0.11 0.77 113.55 117.43 2jmx h SER 27 Ca 0.46 0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.87 2jmx h SER 27 Cb 0.35 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jmx h SER 27 CO -0.22 0.47 -0.77 0.50 -0.53 0.00 0.00 176.83 176.28 2jmx h LYS 28 N 0.97 0.50 -0.27 2.24 3.64 -1.26 -3.10 116.57 119.30 2jmx h LYS 28 Ca 0.50 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2jmx h LYS 28 Cb 0.53 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2jmx h LYS 28 CO -0.28 1.06 0.00 1.04 -2.27 0.00 0.00 179.45 179.00 2jmx n GLN 29 N -3.85 1.80 -3.37 1.90 6.02 -0.30 -4.93 117.38 114.66 2jmx n GLN 29 Ca -0.05 -1.22 -0.19 0.00 -0.01 0.00 0.00 57.00 55.53 2jmx n GLN 29 Cb 0.74 -1.34 0.07 0.00 1.02 0.00 0.00 30.24 30.72 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 0.46 -4.91 -0.97 1.08 5.15 0.24 -4.92 115.26 111.38 2jmx n ASN 30 Ca 0.14 -0.46 0.09 0.00 -0.60 0.00 0.00 54.58 53.75 2jmx n ASN 30 Cb 0.32 -4.29 0.20 0.00 -0.53 0.00 0.00 39.78 35.48 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 -4.12 2.40 -0.36 1.20 4.01 0.30 -4.57 118.16 117.02 2jmx n LYS 31 Ca -0.04 -2.16 0.27 0.00 -0.51 0.00 0.00 58.31 55.86 2jmx n LYS 31 Cb 0.57 -1.42 0.55 0.00 -0.51 0.00 0.00 35.03 34.21 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 3.50 0.39 0.07 -0.35 -0.00 -1.91 1.01 115.31 118.01 2jmx h LEU 32 Ca 0.00 0.11 -0.25 0.00 -0.00 0.00 0.00 57.88 57.74 2jmx h LEU 32 Cb 0.85 0.05 0.02 0.00 -0.00 0.00 0.00 40.66 41.59 2jmx h LEU 32 CO 0.00 -0.01 -1.01 -0.08 -0.00 0.00 0.00 178.44 177.34 2jmx h GLU 33 N 0.30 0.56 0.00 1.13 4.57 -1.97 0.47 114.58 119.64 2jmx h GLU 33 Ca 0.67 -0.70 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2jmx h GLU 33 Cb 1.83 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 2jmx h GLU 33 CO -0.35 1.29 -0.17 1.96 -1.18 0.00 0.00 179.01 180.56 2jmx h GLN 34 N 0.15 0.00 0.00 1.92 4.20 0.03 -1.55 115.11 119.86 2jmx h GLN 34 Ca -0.15 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.18 2jmx h GLN 34 Cb 1.71 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.42 2jmx h GLN 34 CO 0.20 0.17 -2.44 0.28 -0.67 0.00 0.00 178.83 176.37 2jmx n VAL 35 N -4.02 1.48 0.14 -0.54 0.31 0.29 -3.78 118.33 112.21 2jmx n VAL 35 Ca -0.02 -0.64 -0.01 0.00 -0.01 0.00 0.00 64.34 63.66 2jmx n VAL 35 Cb 0.25 -1.21 0.19 0.00 -0.91 0.00 0.00 33.84 32.16 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 0.01 0.12 5.55 4.22 -0.07 -2.15 114.58 122.25 2jmx h GLU 36 Ca -0.57 -0.00 -0.30 0.00 0.08 0.00 0.00 59.36 58.57 2jmx h GLU 36 Cb 1.98 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 2jmx h GLU 36 CO -0.06 0.60 -1.51 -0.22 -2.18 0.00 0.00 179.01 175.65 2jmx h LYS 37 N 0.00 0.25 -0.07 1.92 1.63 -1.45 -3.17 116.57 115.68 2jmx h LYS 37 Ca -0.01 -0.42 -0.24 0.00 -0.85 0.00 0.00 60.65 59.13 2jmx h LYS 37 Cb 1.06 0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.86 2jmx h LYS 37 CO 0.08 1.11 -0.91 0.93 -3.45 0.00 0.00 179.45 177.21 2jmx h GLU 38 N 0.07 0.73 -0.81 1.90 3.07 -1.65 -3.15 114.58 114.74 2jmx h GLU 38 Ca -0.23 -0.69 0.04 0.00 -0.50 0.00 0.00 59.36 57.98 2jmx h GLU 38 Cb 2.01 0.17 -0.05 0.00 -0.84 0.00 0.00 28.75 30.04 2jmx h GLU 38 CO 0.16 1.28 0.53 -0.07 -1.40 0.00 0.00 179.01 179.52 2jmx h LEU 39 N 0.46 0.84 -1.51 1.33 4.07 -1.52 -1.14 115.31 117.84 2jmx h LEU 39 Ca -0.09 -0.01 0.12 0.00 0.08 0.00 0.00 57.88 57.98 2jmx h LEU 39 Cb 1.55 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 43.05 2jmx h LEU 39 CO 0.18 0.57 0.48 -0.07 -1.08 0.00 0.00 178.44 178.52 2jmx h LEU 40 N 0.97 0.48 -1.02 1.67 3.38 -1.51 -1.04 115.31 118.23 2jmx h LEU 40 Ca 0.33 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.36 2jmx h LEU 40 Cb 0.10 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2jmx h LEU 40 CO -0.10 0.27 0.65 0.03 0.09 0.00 0.00 178.44 179.38 2jmx h ARG 41 N 0.53 1.22 -0.87 1.13 2.47 -1.27 -1.50 114.38 116.07 2jmx h ARG 41 Ca 0.34 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2jmx h ARG 41 Cb 0.62 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 2jmx h ARG 41 CO -0.12 0.80 0.54 0.28 0.56 0.00 0.00 179.97 182.03 2jmx h VAL 42 N 1.25 1.24 -0.34 2.04 2.07 -1.25 0.16 116.25 121.41 2jmx h VAL 42 Ca 0.40 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 2jmx h VAL 42 Cb 0.03 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 2jmx h VAL 42 CO -0.13 0.25 -0.01 1.23 0.02 0.00 0.00 177.57 178.93 2jmx h GLY 43 N 1.21 0.66 1.12 2.17 0.00 -1.27 -2.08 103.07 104.88 2jmx h GLY 43 Ca 0.32 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2jmx h GLY 43 CO -0.06 0.45 -0.03 -1.61 0.00 0.00 0.00 176.54 175.29 2jmx h GLN 44 N 0.42 1.05 -0.88 4.80 4.15 -0.87 0.44 115.11 124.22 2jmx h GLN 44 Ca 0.10 -0.34 0.01 0.00 0.77 0.00 0.00 58.65 59.18 2jmx h GLN 44 Cb 0.46 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 2jmx h GLN 44 CO 0.02 1.04 0.58 0.82 -1.93 0.00 0.00 178.83 179.36 2jmx h ILE 45 N 0.95 1.22 0.04 2.39 2.04 -0.55 0.66 117.51 124.26 2jmx h ILE 45 Ca 0.16 -0.41 -0.23 0.00 1.00 0.00 0.00 64.86 65.38 2jmx h ILE 45 Cb 0.59 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2jmx h ILE 45 CO 0.03 0.22 -1.11 0.25 0.00 0.00 0.00 178.15 177.54 2jmx h LEU 46 N 1.19 0.13 -0.85 1.44 5.85 -1.14 -3.23 115.31 118.71 2jmx h LEU 46 Ca 0.32 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 2jmx h LEU 46 Cb -0.13 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2jmx h LEU 46 CO -0.07 1.12 -0.54 0.11 -0.34 0.00 0.00 178.44 178.72 2jmx h LYS 47 N 0.02 0.00 -6.55 1.25 1.57 0.44 -3.35 116.57 109.95 2jmx h LYS 47 Ca -0.06 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.12 2jmx h LYS 47 Cb 1.85 0.00 0.09 0.00 0.08 0.00 0.00 32.23 34.24 2jmx h LYS 47 CO 0.15 0.54 0.49 0.39 -0.57 0.00 0.00 179.45 180.44 2jmx n GLU 48 N -3.75 1.82 0.04 3.15 -0.58 0.23 -4.78 120.64 116.76 2jmx n GLU 48 Ca -0.01 0.64 -0.07 0.00 -0.42 0.00 0.00 57.16 57.31 2jmx n GLU 48 Cb 0.57 -2.23 0.10 0.00 -0.57 0.00 0.00 31.44 29.31 2jmx n GLU 48 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2jmx h PRO 49 N 3.62 0.40 0.13 3.49 0.13 -1.90 0.81 132.00 138.69 2jmx h PRO 49 Ca -0.44 -0.25 -0.28 0.00 -0.87 0.00 0.00 66.00 64.16 2jmx h PRO 49 Cb 1.30 0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.47 2jmx h PRO 49 CO 0.71 0.85 -1.23 -0.22 -0.23 0.00 0.00 178.00 177.88 2jmx h LYS 50 N 0.31 0.38 0.00 0.86 3.64 -1.94 -3.31 116.57 116.51 2jmx h LYS 50 Ca 0.01 -0.58 -0.18 0.00 -1.27 0.00 0.00 60.65 58.63 2jmx h LYS 50 Cb 1.06 0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 2jmx h LYS 50 CO 0.09 1.26 -1.02 1.98 -2.27 0.00 0.00 179.45 179.49 2jmx h MET 51 N 0.13 0.00 -0.95 1.90 4.05 -1.79 -3.33 114.93 114.94 2jmx h MET 51 Ca -0.15 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.34 2jmx h MET 51 Cb 1.93 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 32.67 2jmx h MET 51 CO 0.21 0.63 0.61 0.00 0.23 0.00 0.00 176.91 178.60 2jmx h ALA 52 N 1.24 1.50 -0.64 0.39 0.00 0.57 -1.49 119.26 120.83 2jmx h ALA 52 Ca -0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2jmx h ALA 52 Cb 1.65 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2jmx h ALA 52 CO 0.09 0.34 0.08 0.00 0.00 0.00 0.00 179.25 179.75 2jmx h ALA 53 N 1.50 0.92 -0.59 0.00 0.00 -1.67 -1.47 119.26 117.95 2jmx h ALA 53 Ca 0.42 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2jmx h ALA 53 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jmx h ALA 53 CO -0.17 0.66 0.05 0.77 0.00 0.00 0.00 179.25 180.56 2jmx h SER 54 N 1.00 0.95 0.31 0.00 0.02 -1.44 0.54 113.55 114.94 2jmx h SER 54 Ca 0.19 -0.24 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 2jmx h SER 54 Cb 0.47 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2jmx h SER 54 CO 0.02 0.98 -0.65 -0.07 -1.14 0.00 0.00 176.83 175.97 2jmx h LEU 55 N 0.92 0.36 0.00 5.07 3.38 -1.15 -3.22 115.31 120.68 2jmx h LEU 55 Ca 0.18 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jmx h LEU 55 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2jmx h LEU 55 CO 0.02 0.91 -0.87 -0.11 0.09 0.00 0.00 178.44 178.48 2jmx n LEU 56 N -3.86 0.63 -4.55 1.67 0.00 -0.57 -4.96 117.00 105.36 2jmx n LEU 56 Ca -0.03 0.05 -0.39 0.00 0.00 0.00 0.00 56.01 55.64 2jmx n LEU 56 Cb 0.65 -0.13 0.03 0.00 0.00 0.00 0.00 43.42 43.97 2jmx n LEU 56 CO 0.46 0.02 0.35 -3.20 0.00 0.00 0.00 177.39 175.02 2jmx n ASN 57 N -1.97 0.12 -0.00 1.96 5.15 0.19 -4.86 115.26 115.84 2jmx n ASN 57 Ca 0.03 0.84 0.16 0.00 -0.60 0.00 0.00 54.58 55.01 2jmx n ASN 57 Cb 0.43 -1.28 0.94 0.00 -0.53 0.00 0.00 39.78 39.34 2jmx n ASN 57 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2jmx n PRO 58 N -0.27 1.01 -0.03 1.20 -0.04 -1.26 -3.62 135.00 131.99 2jmx n PRO 58 Ca 0.12 -0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2jmx n PRO 58 Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.99 0.93 -0.11 0.54 4.02 -1.26 -4.09 117.16 116.21 2jmx n TYR 59 Ca 0.24 0.30 0.25 0.00 -0.01 0.00 0.00 57.90 58.69 2jmx n TYR 59 Cb 0.11 -1.16 0.71 0.00 -0.02 0.00 0.00 39.34 38.99 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2jmx h VAL 60 N 0.01 0.59 -1.71 -0.72 2.07 -1.85 -3.47 116.25 111.18 2jmx h VAL 60 Ca -0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2jmx h VAL 60 Cb 2.04 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2jmx h VAL 60 CO 0.07 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.83 2jmx n LYS 61 N -4.26 0.00 -0.06 1.57 4.81 -1.26 -2.59 118.16 116.37 2jmx n LYS 61 Ca 0.15 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.48 2jmx n LYS 61 Cb 0.83 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.85 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 -1.67 0.37 -0.27 1.64 0.00 -1.26 -3.88 116.66 111.58 2jmx n ARG 62 Ca 0.00 0.15 -0.02 0.00 -0.00 0.00 0.00 57.85 57.98 2jmx n ARG 62 Cb 0.00 -1.14 0.09 0.00 0.00 0.00 0.00 32.46 31.42 2jmx n ARG 62 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2jmx h SER 63 N -0.67 0.78 -0.63 6.15 0.02 -1.94 -1.66 113.55 115.60 2jmx h SER 63 Ca -0.16 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 2jmx h SER 63 Cb 0.92 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2jmx h SER 63 CO -0.10 0.54 0.08 0.58 -1.14 0.00 0.00 176.83 176.79 2jmx h VAL 64 N 0.93 1.26 -0.60 2.27 2.07 -1.83 -2.62 116.25 117.73 2jmx h VAL 64 Ca 0.31 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.83 2jmx h VAL 64 Cb 0.03 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2jmx h VAL 64 CO -0.12 0.39 0.40 0.50 0.02 0.00 0.00 177.57 178.76 2jmx h LYS 65 N 0.97 0.61 -0.76 1.57 3.64 -1.07 -1.69 116.57 119.85 2jmx h LYS 65 Ca 0.19 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2jmx h LYS 65 Cb 0.46 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 2jmx h LYS 65 CO 0.02 0.40 0.49 0.28 -2.27 0.00 0.00 179.45 178.37 2jmx h VAL 66 N 0.63 1.12 -0.28 2.00 2.07 -0.97 0.21 116.25 121.04 2jmx h VAL 66 Ca 0.25 -0.33 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 2jmx h VAL 66 Cb 0.20 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 2jmx h VAL 66 CO -0.07 0.17 -0.39 0.50 0.02 0.00 0.00 177.57 177.80 2jmx h LYS 67 N 0.95 0.75 -0.63 1.57 3.64 -1.38 -2.60 116.57 118.87 2jmx h LYS 67 Ca 0.30 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2jmx h LYS 67 Cb -0.00 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2jmx h LYS 67 CO -0.11 1.07 0.40 0.77 -2.27 0.00 0.00 179.45 179.31 2jmx h SER 68 N 0.50 0.73 0.29 4.20 0.02 -0.74 0.27 113.55 118.83 2jmx h SER 68 Ca 0.03 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jmx h SER 68 Cb 0.98 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2jmx h SER 68 CO 0.09 0.55 -0.14 0.25 -1.14 0.00 0.00 176.83 176.44 2jmx h LEU 69 N 0.86 -0.33 -0.92 5.07 5.85 -0.44 0.03 115.31 125.43 2jmx h LEU 69 Ca 0.23 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2jmx h LEU 69 Cb -0.07 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2jmx h LEU 69 CO -0.05 -0.03 0.50 -1.28 -0.34 0.00 0.00 178.44 177.24 2jmx h SER 70 N -0.64 1.13 0.80 1.25 0.87 -1.19 -0.47 113.55 115.30 2jmx h SER 70 Ca -0.04 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2jmx h SER 70 Cb 0.45 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2jmx h SER 70 CO 0.07 0.90 0.00 -0.78 -0.53 0.00 0.00 176.83 176.48 2jmx h ASP 71 N 1.27 0.00 0.07 6.23 1.82 -0.34 -2.07 116.42 123.40 2jmx h ASP 71 Ca 0.32 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.67 2jmx h ASP 71 Cb 0.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 2jmx h ASP 71 CO -0.05 0.00 -1.56 -0.03 -1.61 0.00 0.00 179.24 175.99 2jmx h MET 72 N 0.00 0.15 -0.82 0.28 4.05 0.16 -3.34 114.93 115.40 2jmx h MET 72 Ca 0.00 -0.25 0.10 0.00 -0.28 0.00 0.00 59.70 59.28 2jmx h MET 72 Cb 0.40 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.23 2jmx h MET 72 CO 0.00 1.12 0.54 1.15 0.23 0.00 0.00 176.91 179.94 2jmx h THR 73 N -0.47 0.93 -0.96 -0.77 2.02 -1.02 0.44 112.91 113.07 2jmx h THR 73 Ca -0.37 -0.25 0.07 0.00 0.77 0.00 0.00 66.41 66.63 2jmx h THR 73 Cb 1.66 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 2jmx h THR 73 CO -0.05 0.13 0.62 0.00 0.37 0.00 0.00 175.52 176.60 2jmx h ALA 74 N 1.59 1.46 0.05 6.16 0.00 -1.50 -1.38 119.26 125.65 2jmx h ALA 74 Ca 0.39 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.98 2jmx h ALA 74 Cb 0.49 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jmx h ALA 74 CO -0.15 0.39 -1.62 -0.22 0.00 0.00 0.00 179.25 177.64 2jmx h LYS 75 N 1.10 0.11 0.00 0.00 1.63 -1.24 -3.32 116.57 114.86 2jmx h LYS 75 Ca 0.42 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2jmx h LYS 75 Cb 0.21 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2jmx h LYS 75 CO -0.17 0.85 0.00 1.49 -3.45 0.00 0.00 179.45 178.17 2jmx h GLU 76 N 0.03 0.00 -5.79 1.90 4.81 0.22 -3.46 114.58 112.29 2jmx h GLU 76 Ca -0.26 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.60 2jmx h GLU 76 Cb 1.99 0.00 0.13 0.00 0.63 0.00 0.00 28.75 31.50 2jmx h GLU 76 CO 0.11 0.00 -0.77 1.63 -0.73 0.00 0.00 179.01 179.25 2jmx n LYS 77 N -2.41 -6.48 -0.09 1.92 5.02 -0.56 -4.97 118.16 110.59 2jmx n LYS 77 Ca 0.01 0.79 -0.07 0.00 -2.02 0.00 0.00 58.31 57.02 2jmx n LYS 77 Cb 0.17 -5.72 0.07 0.00 -0.02 0.00 0.00 35.03 29.53 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jmx n PHE 78 N -4.33 -2.10 -3.70 2.13 3.72 -1.24 -5.04 117.46 106.91 2jmx n PHE 78 Ca -0.23 -0.15 -0.21 0.00 -0.05 0.00 0.00 57.45 56.81 2jmx n PHE 78 Cb 0.65 -0.36 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 2jmx n PHE 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jmx n SER 79 N -2.91 2.37 0.13 4.37 7.64 -1.26 -4.98 113.62 118.97 2jmx n SER 79 Ca 0.03 -2.55 0.11 0.00 1.01 0.00 0.00 58.87 57.48 2jmx n SER 79 Cb 0.14 -0.09 0.49 0.00 -1.01 0.00 0.00 64.21 63.75 2jmx n SER 79 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jmx n PRO 80 N -1.66 0.17 -0.61 1.43 -0.04 -1.26 -2.33 135.00 130.69 2jmx n PRO 80 Ca 0.01 0.46 0.02 0.00 -0.04 0.00 0.00 63.50 63.95 2jmx n PRO 80 Cb 0.52 -1.87 0.23 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 -2.19 4.11 -0.64 1.53 7.99 -1.26 -4.59 117.00 121.94 2jmx n LEU 81 Ca 0.01 -3.32 0.02 0.00 -0.01 0.00 0.00 56.01 52.71 2jmx n LEU 81 Cb 0.18 -0.59 0.02 0.00 -0.11 0.00 0.00 43.42 42.92 2jmx n LEU 81 CO 0.17 0.90 0.25 0.41 -1.51 0.00 0.00 177.39 177.61 2jmx n THR 82 N -0.77 0.20 -2.10 -5.08 -1.04 -0.98 -4.76 114.28 99.75 2jmx n THR 82 Ca 0.28 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 2jmx n THR 82 Cb 0.98 0.51 0.06 0.00 -1.82 0.00 0.00 70.33 70.06 2jmx n THR 82 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jmx n SER 83 N -0.05 3.68 0.19 8.00 7.64 -1.25 -4.32 113.62 127.50 2jmx n SER 83 Ca 0.03 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.49 2jmx n SER 83 Cb 0.77 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jmx n ASN 84 N -0.71 -1.90 0.16 6.43 4.13 -1.26 -4.81 115.26 117.30 2jmx n ASN 84 Ca 0.32 0.68 0.16 0.00 1.68 0.00 0.00 54.58 57.41 2jmx n ASN 84 Cb 0.90 1.91 0.74 0.00 -1.54 0.00 0.00 39.78 41.79 2jmx n ASN 84 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2jmx h LEU 85 N 0.00 0.00 -1.20 3.41 5.85 -1.85 -0.37 115.31 121.15 2jmx h LEU 85 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 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 0.54 -0.29 -0.34 0.00 0.00 178.44 178.35 2jmx h ILE 86 N 0.00 1.20 0.04 4.05 2.10 -1.88 -2.36 117.51 120.68 2jmx h ILE 86 Ca 0.11 -0.38 -0.00 0.00 1.08 0.00 0.00 64.86 65.67 2jmx h ILE 86 Cb 0.50 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 2jmx h ILE 86 CO -0.00 0.20 -0.02 0.78 -1.08 0.00 0.00 178.15 178.03 2jmx h ASN 87 N 1.10 -0.05 -0.99 2.19 2.35 -1.39 -2.66 115.58 116.13 2jmx h ASN 87 Ca 0.30 -0.15 0.21 0.00 -0.55 0.00 0.00 56.30 56.11 2jmx h ASN 87 Cb -0.12 0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.15 2jmx h ASN 87 CO -0.07 0.12 0.59 -0.07 -1.65 0.00 0.00 177.43 176.36 2jmx h LEU 88 N -0.22 0.73 -0.74 1.61 3.38 -1.44 0.86 115.31 119.49 2jmx h LEU 88 Ca -0.01 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jmx h LEU 88 Cb 0.20 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jmx h LEU 88 CO 0.01 0.22 0.40 -0.07 0.09 0.00 0.00 178.44 179.09 2jmx h LEU 89 N 0.70 0.93 -3.68 1.67 3.38 -1.11 -2.56 115.31 114.64 2jmx h LEU 89 Ca 0.59 -0.10 -0.35 0.00 0.09 0.00 0.00 57.88 58.11 2jmx h LEU 89 Cb 0.99 -0.24 -0.21 0.00 0.09 0.00 0.00 40.66 41.29 2jmx h LEU 89 CO -0.41 0.76 0.28 0.00 0.09 0.00 0.00 178.44 179.16 2jmx n ALA 90 N -2.36 4.99 -0.13 1.53 0.00 0.44 -1.22 120.51 123.76 2jmx n ALA 90 Ca 0.07 -3.04 -0.23 0.00 0.00 0.00 0.00 53.44 50.24 2jmx n ALA 90 Cb 0.09 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.14 0.62 -0.90 0.00 2.13 0.27 -4.58 120.64 117.04 2jmx n GLU 91 Ca 0.47 0.19 -0.04 0.00 0.66 0.00 0.00 57.16 58.44 2jmx n GLU 91 Cb 1.35 -1.50 0.18 0.00 0.27 0.00 0.00 31.44 31.74 2jmx n GLU 91 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2jmx n ASN 92 N -3.67 2.62 -1.60 4.31 4.13 -1.25 -4.93 115.26 114.87 2jmx n ASN 92 Ca -0.49 -3.84 -0.05 0.00 1.68 0.00 0.00 54.58 51.88 2jmx n ASN 92 Cb 0.94 -0.58 0.02 0.00 -1.54 0.00 0.00 39.78 38.63 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 -1.07 0.29 1.97 7.41 0.00 -1.26 -4.96 105.19 107.56 2jmx n GLY 93 Ca 0.30 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2jmx n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jmx n ARG 94 N -1.83 2.35 -1.03 1.61 0.63 -0.36 -4.53 116.66 113.49 2jmx n ARG 94 Ca -0.06 -3.21 -0.13 0.00 -0.92 0.00 0.00 57.85 53.52 2jmx n ARG 94 Cb 0.54 -2.12 0.21 0.00 0.45 0.00 0.00 32.46 31.54 2jmx n ARG 94 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jmx n LEU 95 N -1.06 5.75 -0.06 6.15 4.77 -1.20 -3.85 117.00 127.49 2jmx n LEU 95 Ca 0.53 -3.55 -0.13 0.00 -0.03 0.00 0.00 56.01 52.83 2jmx n LEU 95 Cb 1.22 -0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2jmx n LEU 95 CO 0.53 1.04 -0.81 0.35 -1.33 0.00 0.00 177.39 177.18 2jmx n THR 96 N -0.91 1.11 -1.42 -5.08 -2.24 -1.26 -4.61 114.28 99.86 2jmx n THR 96 Ca 0.47 -0.04 -0.28 0.00 -2.27 0.00 0.00 64.05 61.93 2jmx n THR 96 Cb 1.40 -1.86 0.10 0.00 -2.10 0.00 0.00 70.33 67.88 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 -3.88 5.95 0.12 3.42 3.02 -1.26 -4.68 115.26 117.95 2jmx n ASN 97 Ca -0.23 -3.75 -0.01 0.00 -0.03 0.00 0.00 54.58 50.56 2jmx n ASN 97 Cb 0.56 -0.82 0.22 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.17 1.34 -0.32 3.41 1.03 -1.82 -3.16 112.91 114.57 2jmx h THR 98 Ca 0.54 -1.67 -0.11 0.00 -0.01 0.00 0.00 66.41 65.16 2jmx h THR 98 Cb 1.44 1.83 -0.01 0.00 -1.07 0.00 0.00 68.15 70.33 2jmx h THR 98 CO 1.25 0.49 -0.25 1.55 -0.01 0.00 0.00 175.52 178.55 2jmx h PRO 99 N 0.11 0.64 -0.85 0.00 0.13 -1.92 -2.83 132.00 127.29 2jmx h PRO 99 Ca 0.00 -0.26 0.05 0.00 -0.87 0.00 0.00 66.00 64.93 2jmx h PRO 99 Cb 0.89 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.94 2jmx h PRO 99 CO 0.07 0.84 0.56 0.00 -0.23 0.00 0.00 178.00 179.23 2jmx h ALA 100 N 1.16 1.53 -0.62 -0.56 0.00 -1.92 -1.37 119.26 117.47 2jmx h ALA 100 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2jmx h ALA 100 Cb 0.73 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2jmx h ALA 100 CO 0.06 0.36 0.14 0.28 0.00 0.00 0.00 179.25 180.09 2jmx h VAL 101 N 0.99 1.25 -0.50 0.00 2.07 -1.57 -2.74 116.25 115.75 2jmx h VAL 101 Ca 0.36 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2jmx h VAL 101 Cb 0.14 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2jmx h VAL 101 CO -0.12 0.35 -0.12 0.40 0.02 0.00 0.00 177.57 178.10 2jmx h ILE 102 N 0.94 1.27 -0.56 4.57 2.04 -1.20 -3.01 117.51 121.56 2jmx h ILE 102 Ca 0.20 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.82 2jmx h ILE 102 Cb 0.35 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2jmx h ILE 102 CO 0.00 0.44 0.35 0.28 0.00 0.00 0.00 178.15 179.22 2jmx h SER 103 N 0.84 0.58 -0.59 1.72 0.02 -1.08 -1.32 113.55 113.72 2jmx h SER 103 Ca 0.13 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 2jmx h SER 103 Cb 0.66 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2jmx h SER 103 CO 0.05 0.41 0.40 0.00 -1.14 0.00 0.00 176.83 176.54 2jmx h ALA 104 N 1.23 2.07 -0.61 3.77 0.00 -1.36 -1.61 119.26 122.75 2jmx h ALA 104 Ca 0.22 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2jmx h ALA 104 Cb -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2jmx h ALA 104 CO -0.08 -0.20 0.32 0.35 0.00 0.00 0.00 179.25 179.64 2jmx h PHE 105 N 0.36 0.59 -0.85 0.00 3.04 -1.16 0.19 116.94 119.12 2jmx h PHE 105 Ca 0.27 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.23 2jmx h PHE 105 Cb 0.59 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.88 2jmx h PHE 105 CO -0.00 0.28 0.45 0.77 -2.02 0.00 0.00 178.31 177.79 2jmx h SER 106 N 0.60 1.08 -0.18 0.41 0.02 -1.29 0.26 113.55 114.46 2jmx h SER 106 Ca 0.27 -0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 60.95 2jmx h SER 106 Cb 0.18 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jmx h SER 106 CO -0.18 0.88 -0.50 0.74 -1.14 0.00 0.00 176.83 176.63 2jmx h THR 107 N 1.19 1.29 -0.28 -2.27 2.02 -1.26 -2.86 112.91 110.75 2jmx h THR 107 Ca 0.30 -1.70 -0.14 0.00 0.77 0.00 0.00 66.41 65.63 2jmx h THR 107 Cb 0.05 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2jmx h THR 107 CO -0.05 0.55 -0.41 0.24 0.37 0.00 0.00 175.52 176.22 2jmx h MET 108 N 0.59 0.68 -0.98 6.66 2.86 -0.24 -3.00 114.93 121.49 2jmx h MET 108 Ca 0.02 -0.36 0.03 0.00 -2.06 0.00 0.00 59.70 57.34 2jmx h MET 108 Cb 1.07 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 2jmx h MET 108 CO 0.11 0.97 0.65 1.98 1.06 0.00 0.00 176.91 181.67 2jmx h MET 109 N 0.56 1.23 -0.67 1.72 -1.53 -0.40 -1.22 114.93 114.62 2jmx h MET 109 Ca 0.04 -0.07 0.13 0.00 -3.44 0.00 0.00 59.70 56.36 2jmx h MET 109 Cb 0.95 -0.28 -0.04 0.00 -0.55 0.00 0.00 31.60 31.68 2jmx h MET 109 CO 0.09 0.81 0.45 1.03 0.14 0.00 0.00 176.91 179.43 2jmx h SER 110 N 1.26 0.35 1.27 1.39 0.87 -1.36 0.13 113.55 117.46 2jmx h SER 110 Ca 0.39 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2jmx h SER 110 Cb -0.03 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2jmx h SER 110 CO -0.11 0.19 0.00 0.58 -0.53 0.00 0.00 176.83 176.96 2jmx h VAL 111 N 0.38 0.00 0.00 2.23 2.07 -1.28 -2.59 116.25 117.05 2jmx h VAL 111 Ca 0.32 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2jmx h VAL 111 Cb 0.73 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2jmx h VAL 111 CO -0.09 0.00 -0.71 1.12 0.02 0.00 0.00 177.57 177.91 2jmx h HIS 112 N 0.00 0.00 0.01 1.57 -0.00 -0.63 -3.37 115.15 112.73 2jmx h HIS 112 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 60.37 60.01 2jmx h HIS 112 Cb 0.63 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.98 2jmx h HIS 112 CO 0.00 0.20 -2.24 -2.13 -0.00 0.00 0.00 177.93 173.76 2jmx n ARG 113 N -2.93 0.68 -0.16 5.12 0.63 -1.12 -4.31 116.66 114.56 2jmx n ARG 113 Ca -0.00 0.09 0.10 0.00 -0.92 0.00 0.00 57.85 57.12 2jmx n ARG 113 Cb 0.63 -1.59 0.43 0.00 0.45 0.00 0.00 32.46 32.38 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 3.53 0.83 -3.97 5.14 0.00 -1.62 -1.88 103.07 105.10 2jmx h GLY 114 Ca -0.49 -0.24 -0.65 0.00 0.00 0.00 0.00 47.33 45.95 2jmx h GLY 114 CO 0.03 0.14 0.52 1.18 0.00 0.00 0.00 176.54 178.40 2jmx n GLU 115 N -4.49 2.89 -3.37 4.80 1.02 -1.26 -4.81 120.64 115.42 2jmx n GLU 115 Ca 0.12 -3.49 -0.18 0.00 -0.02 0.00 0.00 57.16 53.59 2jmx n GLU 115 Cb 0.35 -2.29 -0.08 0.00 -0.02 0.00 0.00 31.44 29.40 2jmx n GLU 115 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jmx s VAL 116 N -4.79 -0.30 -0.22 2.62 1.01 -0.71 -5.08 120.40 112.93 2jmx s VAL 116 Ca 0.62 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 2jmx s VAL 116 Cb 0.49 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2jmx s VAL 116 CO -0.01 -0.60 1.43 -2.16 0.00 0.00 0.00 175.10 173.76 2jmx s PRO 117 N 1.53 3.96 -0.35 2.72 0.04 -1.26 -4.90 135.00 136.74 2jmx s PRO 117 Ca 0.16 1.56 0.15 0.00 0.04 0.00 0.00 61.00 62.91 2jmx s PRO 117 Cb -0.16 -3.92 0.42 0.00 0.04 0.00 0.00 34.50 30.88 2jmx s PRO 117 CO -0.07 -1.07 0.96 0.00 0.04 0.00 0.00 177.00 176.86 2jmx s THR 119 N -2.34 -0.01 0.00 0.00 2.01 -1.26 -5.31 115.64 108.72 2jmx s THR 119 Ca 0.29 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2jmx s THR 119 Cb 0.42 -0.06 0.00 0.00 0.01 0.00 0.00 72.50 72.87 2jmx s THR 119 CO -0.01 0.02 0.02 0.52 -0.69 0.00 0.00 174.62 174.48