#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 0.27 -3.85 3.13 0.00 -1.26 -5.10 120.51 113.71 2jmx n ALA 2 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 53.44 51.95 2jmx n ALA 2 Cb 0.00 0.61 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 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 -3.00 2.48 0.29 0.00 1.02 -1.26 -5.07 119.74 114.19 2jmx s LYS 3 Ca 0.03 -3.02 0.00 0.00 0.02 0.00 0.00 55.97 53.00 2jmx s LYS 3 Cb -0.00 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2jmx s LYS 3 CO 0.02 -1.22 0.02 1.28 -0.92 0.00 0.00 175.35 174.53 2jmx n LEU 4 N 2.56 0.00 -2.80 3.17 4.32 -1.26 -5.08 117.00 117.91 2jmx n LEU 4 Ca 0.14 -1.77 -0.24 0.00 -0.02 0.00 0.00 56.01 54.12 2jmx n LEU 4 Cb 0.35 0.18 -0.02 0.00 -1.62 0.00 0.00 43.42 42.31 2jmx n LEU 4 CO 0.31 -0.27 0.10 0.52 -1.22 0.00 0.00 177.39 176.83 2jmx n VAL 5 N -0.75 2.30 -3.19 4.08 0.31 -1.26 -4.90 118.33 114.92 2jmx n VAL 5 Ca -0.11 -5.05 -0.24 0.00 -0.01 0.00 0.00 64.34 58.93 2jmx n VAL 5 Cb 0.36 -1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 32.17 2jmx n VAL 5 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jmx n ARG 6 N -0.25 0.71 -2.24 5.55 1.74 -1.26 -5.12 116.66 115.79 2jmx n ARG 6 Ca 0.31 -3.21 -0.34 0.00 -0.77 0.00 0.00 57.85 53.85 2jmx n ARG 6 Cb 0.55 -1.22 -0.00 0.00 -1.02 0.00 0.00 32.46 30.77 2jmx n ARG 6 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2jmx s PRO 7 N -1.16 3.44 0.17 5.56 0.04 -1.26 -5.05 135.00 136.74 2jmx s PRO 7 Ca 0.35 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2jmx s PRO 7 Cb 0.17 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.71 2jmx s PRO 7 CO -0.11 -0.73 0.17 -0.35 0.04 0.00 0.00 177.00 176.02 2jmx n PRO 8 N -1.53 -0.97 -3.22 0.56 -0.04 -1.26 -5.04 135.00 123.50 2jmx n PRO 8 Ca 0.10 -0.27 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 2jmx n PRO 8 Cb 0.52 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.69 2jmx n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jmx n VAL 9 N -2.67 0.17 -4.21 0.52 0.24 -1.26 -5.10 118.33 106.01 2jmx n VAL 9 Ca 0.02 -4.42 -0.14 0.00 -2.04 0.00 0.00 64.34 57.76 2jmx n VAL 9 Cb 0.09 -1.69 -0.10 0.00 -1.47 0.00 0.00 33.84 30.66 2jmx n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jmx s GLN 10 N -1.74 0.95 0.23 7.34 -2.07 -1.26 -5.05 119.66 118.05 2jmx s GLN 10 Ca 0.37 -1.30 0.00 0.00 -1.82 0.00 0.00 55.36 52.62 2jmx s GLN 10 Cb 0.20 -0.58 0.00 0.00 -1.09 0.00 0.00 33.01 31.54 2jmx s GLN 10 CO -0.09 0.08 0.00 -0.89 -1.32 0.00 0.00 175.29 173.07 2jmx n ILE 11 N 0.21-13.43 -3.05 3.63 2.08 -1.26 -5.05 119.36 102.49 2jmx n ILE 11 Ca -0.13 3.50 -0.02 0.00 0.56 0.00 0.00 62.75 66.66 2jmx n ILE 11 Cb 0.59 -5.51 -0.01 0.00 -0.75 0.00 0.00 39.64 33.97 2jmx n ILE 11 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2jmx s TYR 12 N -0.63 -1.59 0.00 1.39 -0.85 -1.26 -5.11 117.35 109.29 2jmx s TYR 12 Ca 0.00 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 2jmx s TYR 12 Cb 0.00 0.27 0.00 0.00 0.38 0.00 0.00 41.96 42.61 2jmx s TYR 12 CO 0.00 -1.20 0.00 0.41 -1.52 0.00 0.00 175.55 173.24 2jmx n GLY 13 N 3.82 3.48 0.52 5.49 0.00 -1.26 -4.83 105.19 112.40 2jmx n GLY 13 Ca 0.14 -0.89 0.37 0.00 0.00 0.00 0.00 46.02 45.64 2jmx n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jmx h ILE 14 N 0.00 0.24 -0.84 -0.61 6.09 -2.01 0.40 117.51 120.78 2jmx h ILE 14 Ca 0.00 -0.04 0.21 0.00 -1.37 0.00 0.00 64.86 63.66 2jmx h ILE 14 Cb 0.00 0.12 -0.05 0.00 0.47 0.00 0.00 36.82 37.36 2jmx h ILE 14 CO 0.00 0.02 0.58 -0.33 -3.07 0.00 0.00 178.15 175.35 2jmx h GLU 15 N 0.11 0.22 -0.21 2.19 3.07 -1.97 0.10 114.58 118.09 2jmx h GLU 15 Ca 0.74 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 59.43 2jmx h GLU 15 Cb 2.52 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 30.38 2jmx h GLU 15 CO -0.23 0.15 -0.48 0.78 -1.40 0.00 0.00 179.01 177.83 2jmx h GLY 16 N 0.23 0.76 1.54 -3.84 0.00 -0.45 -2.95 103.07 98.37 2jmx h GLY 16 Ca 0.42 -0.93 0.06 0.00 0.00 0.00 0.00 47.33 46.88 2jmx h GLY 16 CO -0.10 0.83 0.17 -0.09 0.00 0.00 0.00 176.54 177.36 2jmx h ARG 17 N 0.40 0.00 -0.97 4.80 2.43 -0.87 -1.60 114.38 118.58 2jmx h ARG 17 Ca -0.00 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 2jmx h ARG 17 Cb 1.09 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.55 2jmx h ARG 17 CO 0.11 0.00 0.61 1.88 -1.51 0.00 0.00 179.97 181.06 2jmx h TYR 18 N 0.00 0.88 -0.11 2.20 -1.99 -1.26 1.07 116.97 117.75 2jmx h TYR 18 Ca 0.10 0.03 -0.21 0.00 2.00 0.00 0.00 58.73 60.64 2jmx h TYR 18 Cb 0.44 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 38.91 2jmx h TYR 18 CO 0.00 0.22 -0.78 0.00 -0.00 0.00 0.00 178.16 177.60 2jmx h ALA 19 N 1.62 0.40 0.01 3.88 0.00 -1.45 -2.35 119.26 121.37 2jmx h ALA 19 Ca 0.53 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 2jmx h ALA 19 Cb 0.97 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jmx h ALA 19 CO -0.29 0.72 -0.93 1.79 0.00 0.00 0.00 179.25 180.53 2jmx h THR 20 N 0.43 1.45 0.00 0.00 1.35 -0.94 0.16 112.91 115.37 2jmx h THR 20 Ca -0.05 -2.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2jmx h THR 20 Cb 1.40 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 2jmx h THR 20 CO 0.15 0.76 0.00 0.00 -0.25 0.00 0.00 175.52 176.18 2jmx h ALA 21 N 0.84 1.00 0.01 6.62 0.00 0.10 0.46 119.26 128.29 2jmx h ALA 21 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.44 2jmx h ALA 21 Cb 1.57 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 2jmx h ALA 21 CO 0.15 0.00 -2.36 -0.11 0.00 0.00 0.00 179.25 176.93 2jmx n LEU 22 N -2.64 2.45 0.12 0.00 7.94 -0.88 -4.24 117.00 119.74 2jmx n LEU 22 Ca 0.03 0.13 0.13 0.00 -1.11 0.00 0.00 56.01 55.19 2jmx n LEU 22 Cb 0.34 -0.90 0.43 0.00 0.53 0.00 0.00 43.42 43.82 2jmx n LEU 22 CO 0.26 0.73 0.88 0.00 -1.11 0.00 0.00 177.39 178.16 2jmx n TYR 23 N -3.77 0.94 -0.35 1.96 0.18 0.56 -3.38 117.16 113.30 2jmx n TYR 23 Ca -0.47 0.30 0.13 0.00 1.88 0.00 0.00 57.90 59.73 2jmx n TYR 23 Cb 0.93 -0.99 0.31 0.00 -0.38 0.00 0.00 39.34 39.22 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 0.74 -0.05 9.48 0.87 -0.25 1.20 113.55 125.54 2jmx h SER 24 Ca 0.00 0.10 -0.21 0.00 -1.23 0.00 0.00 61.79 60.45 2jmx h SER 24 Cb 0.64 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2jmx h SER 24 CO 0.00 0.25 -0.79 0.00 -0.53 0.00 0.00 176.83 175.76 2jmx h ALA 25 N 1.64 0.17 -0.94 6.23 0.00 -1.80 -3.14 119.26 121.42 2jmx h ALA 25 Ca 0.57 -0.61 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2jmx h ALA 25 Cb 0.89 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2jmx h ALA 25 CO -0.39 0.56 0.60 0.00 0.00 0.00 0.00 179.25 180.02 2jmx h ALA 26 N 0.43 1.65 -0.81 0.00 0.00 -0.12 -0.89 119.26 119.52 2jmx h ALA 26 Ca -0.08 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2jmx h ALA 26 Cb 1.45 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2jmx h ALA 26 CO 0.16 0.12 0.47 1.03 0.00 0.00 0.00 179.25 181.02 2jmx h SER 27 N 0.87 0.68 -0.53 0.00 0.87 0.12 0.87 113.55 116.43 2jmx h SER 27 Ca 0.46 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.95 2jmx h SER 27 Cb 0.54 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2jmx h SER 27 CO -0.22 0.40 -0.12 0.50 -0.53 0.00 0.00 176.83 176.86 2jmx h LYS 28 N 0.80 1.02 -0.00 2.24 3.64 -1.24 -2.54 116.57 120.50 2jmx h LYS 28 Ca 0.38 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2jmx h LYS 28 Cb 0.31 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2jmx h LYS 28 CO -0.23 1.07 -0.03 1.04 -2.27 0.00 0.00 179.45 179.04 2jmx n GLN 29 N -4.15 0.68 -3.14 1.90 6.02 -0.40 -4.57 117.38 113.72 2jmx n GLN 29 Ca 0.01 -0.10 -0.14 0.00 -0.01 0.00 0.00 57.00 56.76 2jmx n GLN 29 Cb 0.41 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.07 -4.34 -1.04 1.08 2.85 0.28 -4.94 115.26 108.08 2jmx n ASN 30 Ca 0.17 -0.35 0.08 0.00 -0.11 0.00 0.00 54.58 54.37 2jmx n ASN 30 Cb 0.22 -3.35 0.26 0.00 1.24 0.00 0.00 39.78 38.15 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 -3.27 3.22 -0.34 1.20 4.76 -0.13 -4.64 118.16 118.95 2jmx n LYS 31 Ca -0.02 -2.62 0.24 0.00 -2.87 0.00 0.00 58.31 53.04 2jmx n LYS 31 Cb 0.55 -1.69 0.52 0.00 -1.84 0.00 0.00 35.03 32.56 2jmx n LYS 31 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2jmx h LEU 32 N 2.59 0.43 -0.09 -0.35 -0.00 -1.93 0.45 115.31 116.41 2jmx h LEU 32 Ca 0.00 0.09 -0.20 0.00 -0.00 0.00 0.00 57.88 57.78 2jmx h LEU 32 Cb 1.24 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.95 2jmx h LEU 32 CO 0.17 0.05 -0.72 -0.08 -0.00 0.00 0.00 178.44 177.86 2jmx h GLU 33 N 0.36 0.65 0.00 1.13 4.81 -1.97 0.78 114.58 120.34 2jmx h GLU 33 Ca 0.63 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2jmx h GLU 33 Cb 1.63 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 31.14 2jmx h GLU 33 CO -0.33 1.19 -0.11 1.96 -0.73 0.00 0.00 179.01 180.99 2jmx h GLN 34 N 0.30 0.00 0.00 1.92 1.08 -0.58 -1.91 115.11 115.92 2jmx h GLN 34 Ca -0.06 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.80 2jmx h GLN 34 Cb 1.36 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.73 2jmx h GLN 34 CO 0.15 0.11 -2.26 0.28 -0.95 0.00 0.00 178.83 176.16 2jmx n VAL 35 N -4.18 1.26 0.19 -0.54 0.31 0.41 -3.90 118.33 111.87 2jmx n VAL 35 Ca -0.03 -0.58 0.06 0.00 -0.01 0.00 0.00 64.34 63.79 2jmx n VAL 35 Cb 0.19 -1.05 0.32 0.00 -0.91 0.00 0.00 33.84 32.39 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 0.06 5.55 4.81 0.58 -2.55 114.58 123.02 2jmx h GLU 36 Ca -0.49 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.41 2jmx h GLU 36 Cb 1.88 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.22 2jmx h GLU 36 CO -0.04 0.37 -1.87 1.17 -0.73 0.00 0.00 179.01 177.91 2jmx n LYS 37 N -3.50 0.69 0.06 1.92 4.81 -0.72 -3.96 118.16 117.46 2jmx n LYS 37 Ca -0.00 0.27 -0.11 0.00 -0.87 0.00 0.00 58.31 57.60 2jmx n LYS 37 Cb 0.52 -1.74 -0.01 0.00 0.02 0.00 0.00 35.03 33.82 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 0.03 0.41 -0.90 1.64 3.07 -1.68 -3.09 114.58 114.07 2jmx h GLU 38 Ca -0.36 -0.38 0.13 0.00 -0.50 0.00 0.00 59.36 58.25 2jmx h GLU 38 Cb 2.03 0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 29.96 2jmx h GLU 38 CO 0.08 1.03 0.58 -0.07 -1.40 0.00 0.00 179.01 179.23 2jmx h LEU 39 N 0.26 0.72 -1.65 1.33 4.07 -1.62 0.81 115.31 119.23 2jmx h LEU 39 Ca -0.05 0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.03 2jmx h LEU 39 Cb 1.43 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 43.03 2jmx h LEU 39 CO 0.14 0.38 0.38 -0.07 -1.08 0.00 0.00 178.44 178.19 2jmx h LEU 40 N 0.77 0.36 -0.69 1.67 3.38 -1.66 -1.73 115.31 117.41 2jmx h LEU 40 Ca 0.44 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.46 2jmx h LEU 40 Cb 0.62 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2jmx h LEU 40 CO -0.21 0.22 0.43 0.03 0.09 0.00 0.00 178.44 179.00 2jmx h ARG 41 N 0.41 0.80 -0.76 1.13 3.08 -0.94 0.58 114.38 118.69 2jmx h ARG 41 Ca 0.26 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 2jmx h ARG 41 Cb 0.49 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 2jmx h ARG 41 CO -0.07 0.53 0.38 0.28 -1.07 0.00 0.00 179.97 180.02 2jmx h VAL 42 N 0.83 1.23 -0.20 2.04 2.07 -1.37 -0.76 116.25 120.08 2jmx h VAL 42 Ca 0.29 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2jmx h VAL 42 Cb 0.05 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2jmx h VAL 42 CO -0.12 0.27 -0.07 1.23 0.02 0.00 0.00 177.57 178.90 2jmx h GLY 43 N 1.11 0.43 0.99 2.17 0.00 -1.20 -1.60 103.07 104.96 2jmx h GLY 43 Ca 0.26 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.26 2jmx h GLY 43 CO -0.04 0.34 0.59 1.46 0.00 0.00 0.00 176.54 178.89 2jmx h GLN 44 N 0.10 1.08 0.55 4.80 4.20 -0.56 0.13 115.11 125.41 2jmx h GLN 44 Ca 0.05 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2jmx h GLN 44 Cb 0.54 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 28.08 2jmx h GLN 44 CO 0.02 0.71 -0.26 0.82 -0.67 0.00 0.00 178.83 179.46 2jmx h ILE 45 N 1.11 0.36 -0.60 2.54 2.04 -0.97 0.23 117.51 122.22 2jmx h ILE 45 Ca 0.36 -0.33 0.11 0.00 1.00 0.00 0.00 64.86 66.00 2jmx h ILE 45 Cb 0.03 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2jmx h ILE 45 CO -0.11 0.04 0.40 -0.07 0.00 0.00 0.00 178.15 178.42 2jmx h LEU 46 N -0.97 0.33 -0.28 1.44 4.07 -0.99 -0.08 115.31 118.83 2jmx h LEU 46 Ca -0.07 0.01 -0.20 0.00 0.08 0.00 0.00 57.88 57.69 2jmx h LEU 46 Cb 0.63 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 2jmx h LEU 46 CO 0.12 0.19 -0.85 0.50 -1.08 0.00 0.00 178.44 177.33 2jmx h LYS 47 N 0.36 0.36 -6.86 1.13 3.11 -0.52 -3.38 116.57 110.77 2jmx h LYS 47 Ca 0.28 -0.36 -0.56 0.00 -2.81 0.00 0.00 60.65 57.20 2jmx h LYS 47 Cb 0.61 0.09 0.13 0.00 -1.00 0.00 0.00 32.23 32.06 2jmx h LYS 47 CO -0.07 1.02 0.46 0.39 -2.81 0.00 0.00 179.45 178.44 2jmx n GLU 48 N -3.76 1.74 -0.02 1.90 1.02 0.78 -4.86 120.64 117.45 2jmx n GLU 48 Ca -0.05 0.63 -0.17 0.00 -0.02 0.00 0.00 57.16 57.55 2jmx n GLU 48 Cb 0.78 -2.38 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 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 1.76 0.79 -0.61 3.49 0.13 -1.87 -1.32 132.00 134.37 2jmx h PRO 49 Ca -0.48 -0.64 0.03 0.00 -0.87 0.00 0.00 66.00 64.03 2jmx h PRO 49 Cb 1.31 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.54 2jmx h PRO 49 CO 0.58 1.25 0.40 -0.22 -0.23 0.00 0.00 178.00 179.79 2jmx h LYS 50 N 0.54 0.72 0.08 0.86 1.63 -1.91 -2.82 116.57 115.67 2jmx h LYS 50 Ca -0.05 -0.04 -0.31 0.00 -0.85 0.00 0.00 60.65 59.39 2jmx h LYS 50 Cb 1.40 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.85 2jmx h LYS 50 CO 0.16 0.48 -1.67 0.52 -3.45 0.00 0.00 179.45 175.48 2jmx h MET 51 N 0.74 0.16 -0.94 1.90 2.86 -1.77 -3.35 114.93 114.54 2jmx h MET 51 Ca 0.24 -0.28 0.17 0.00 -2.06 0.00 0.00 59.70 57.77 2jmx h MET 51 Cb 0.04 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 2jmx h MET 51 CO -0.06 0.94 0.60 0.00 1.06 0.00 0.00 176.91 179.45 2jmx h ALA 52 N 0.57 1.84 0.00 6.32 0.00 -0.99 0.26 119.26 127.27 2jmx h ALA 52 Ca -0.29 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2jmx h ALA 52 Cb 2.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2jmx h ALA 52 CO 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.22 2jmx h ALA 53 N 1.61 1.29 0.01 0.00 0.00 -1.66 -2.02 119.26 118.49 2jmx h ALA 53 Ca 0.50 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.99 2jmx h ALA 53 Cb 0.85 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 2jmx h ALA 53 CO -0.26 0.02 -2.28 0.43 0.00 0.00 0.00 179.25 177.16 2jmx n SER 54 N -3.52 1.96 0.24 0.00 7.64 0.82 -3.61 113.62 117.15 2jmx n SER 54 Ca -0.03 0.22 0.07 0.00 1.01 0.00 0.00 58.87 60.14 2jmx n SER 54 Cb 0.10 -0.75 0.57 0.00 -1.01 0.00 0.00 64.21 63.12 2jmx n SER 54 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jmx h LEU 55 N -0.66 0.01 -3.03 -3.43 3.38 -1.25 -2.48 115.31 107.84 2jmx h LEU 55 Ca -0.59 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2jmx h LEU 55 Cb 1.67 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2jmx h LEU 55 CO -0.26 0.10 0.00 -0.11 0.09 0.00 0.00 178.44 178.26 2jmx n LEU 56 N -4.43 4.21 -4.83 1.67 0.00 -0.76 -4.98 117.00 107.88 2jmx n LEU 56 Ca -0.03 -2.34 -0.31 0.00 0.00 0.00 0.00 56.01 53.34 2jmx n LEU 56 Cb 0.17 -0.50 -0.06 0.00 0.00 0.00 0.00 43.42 43.03 2jmx n LEU 56 CO 0.35 0.82 -0.22 0.20 0.00 0.00 0.00 177.39 178.54 2jmx s ASN 57 N -1.04 5.85 0.00 1.96 0.02 -0.94 -4.99 114.94 115.80 2jmx s ASN 57 Ca 0.45 0.13 0.28 0.00 -1.02 0.00 0.00 52.86 52.69 2jmx s ASN 57 Cb 0.28 -1.69 1.55 0.00 0.02 0.00 0.00 41.25 41.41 2jmx s ASN 57 CO 0.23 0.20 2.01 -0.81 0.02 0.00 0.00 177.10 178.75 2jmx n PRO 58 N 0.59 1.13 -0.02 -0.60 -0.04 -1.26 -3.67 135.00 131.13 2jmx n PRO 58 Ca -0.09 -0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.07 2jmx n PRO 58 Cb 0.52 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.72 1.04 0.30 0.54 4.01 -1.26 -3.98 117.16 117.09 2jmx n TYR 59 Ca 0.21 0.33 0.17 0.00 -0.16 0.00 0.00 57.90 58.44 2jmx n TYR 59 Cb 0.14 -1.17 0.78 0.00 -0.31 0.00 0.00 39.34 38.78 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2jmx h VAL 60 N 0.02 0.00 -2.69 -0.72 2.07 -1.82 -3.49 116.25 109.62 2jmx h VAL 60 Ca -0.33 -0.22 0.33 0.00 0.82 0.00 0.00 66.70 67.29 2jmx h VAL 60 Cb 2.03 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 32.78 2jmx h VAL 60 CO 0.08 0.00 -0.45 0.29 0.02 0.00 0.00 177.57 177.51 2jmx n LYS 61 N -2.76 -2.43 -0.11 1.57 4.76 -1.26 -3.33 118.16 114.61 2jmx n LYS 61 Ca -0.00 1.62 -0.18 0.00 -2.87 0.00 0.00 58.31 56.87 2jmx n LYS 61 Cb 0.18 -2.97 -0.06 0.00 -1.84 0.00 0.00 35.03 30.34 2jmx n LYS 61 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2jmx n ARG 62 N -3.62 0.55 -0.35 1.97 0.63 -1.26 -3.62 116.66 110.95 2jmx n ARG 62 Ca 0.01 0.23 0.08 0.00 -0.92 0.00 0.00 57.85 57.25 2jmx n ARG 62 Cb 0.64 -1.45 0.25 0.00 0.45 0.00 0.00 32.46 32.36 2jmx n ARG 62 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2jmx h SER 63 N -0.99 0.85 -0.45 6.15 0.02 -1.91 0.58 113.55 117.79 2jmx h SER 63 Ca -0.31 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 60.58 2jmx h SER 63 Cb 1.26 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2jmx h SER 63 CO -0.19 0.41 -0.20 0.58 -1.14 0.00 0.00 176.83 176.29 2jmx h VAL 64 N 0.90 1.27 -0.68 2.27 2.07 -1.79 -2.88 116.25 117.41 2jmx h VAL 64 Ca 0.51 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2jmx h VAL 64 Cb 0.60 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2jmx h VAL 64 CO -0.30 0.46 0.26 0.50 0.02 0.00 0.00 177.57 178.51 2jmx h LYS 65 N 0.77 1.00 -0.83 1.57 1.63 -1.07 -2.00 116.57 117.65 2jmx h LYS 65 Ca 0.10 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2jmx h LYS 65 Cb 0.78 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.20 2jmx h LYS 65 CO 0.06 0.82 0.50 0.28 -3.45 0.00 0.00 179.45 177.67 2jmx h VAL 66 N 0.98 1.23 -0.52 2.00 2.07 -0.80 -1.37 116.25 119.85 2jmx h VAL 66 Ca 0.23 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2jmx h VAL 66 Cb 0.20 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2jmx h VAL 66 CO -0.02 0.24 -0.03 0.11 0.02 0.00 0.00 177.57 177.89 2jmx h LYS 67 N 1.14 0.94 -0.83 1.57 1.57 -1.26 -2.65 116.57 117.06 2jmx h LYS 67 Ca 0.30 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jmx h LYS 67 Cb -0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2jmx h LYS 67 CO -0.06 0.97 0.51 1.03 -0.57 0.00 0.00 179.45 181.34 2jmx h SER 68 N 0.81 0.97 -0.07 0.86 0.87 -0.87 -0.70 113.55 115.42 2jmx h SER 68 Ca 0.14 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2jmx h SER 68 Cb 0.57 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2jmx h SER 68 CO 0.03 0.73 0.03 -0.07 -0.53 0.00 0.00 176.83 177.03 2jmx h LEU 69 N 1.13 0.09 -0.74 2.23 3.38 -1.00 0.47 115.31 120.87 2jmx h LEU 69 Ca 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2jmx h LEU 69 Cb -0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2jmx h LEU 69 CO -0.06 0.20 0.44 0.28 0.09 0.00 0.00 178.44 179.40 2jmx h SER 70 N -0.02 0.90 1.08 -0.43 0.02 -1.14 0.88 113.55 114.85 2jmx h SER 70 Ca 0.02 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2jmx h SER 70 Cb 0.14 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jmx h SER 70 CO -0.00 0.71 -0.13 -0.78 -1.14 0.00 0.00 176.83 175.49 2jmx h ASP 71 N 1.02 0.00 0.12 3.07 1.82 -0.87 -2.24 116.42 119.34 2jmx h ASP 71 Ca 0.27 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.61 2jmx h ASP 71 Cb -0.02 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 2jmx h ASP 71 CO -0.05 0.13 -1.50 -0.03 -1.61 0.00 0.00 179.24 176.18 2jmx h MET 72 N 0.00 0.26 -0.88 0.28 4.05 0.99 -3.31 114.93 116.31 2jmx h MET 72 Ca -0.00 -0.44 0.13 0.00 -0.28 0.00 0.00 59.70 59.12 2jmx h MET 72 Cb 0.70 0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 31.60 2jmx h MET 72 CO 0.02 1.21 0.57 1.15 0.23 0.00 0.00 176.91 180.08 2jmx h THR 73 N -0.24 0.86 -0.96 -0.77 2.02 0.81 0.49 112.91 115.11 2jmx h THR 73 Ca -0.32 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.67 2jmx h THR 73 Cb 1.81 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.25 2jmx h THR 73 CO 0.07 0.13 0.62 0.00 0.37 0.00 0.00 175.52 176.70 2jmx h ALA 74 N 1.60 1.31 0.10 6.16 0.00 -1.49 -0.64 119.26 126.29 2jmx h ALA 74 Ca 0.43 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 55.03 2jmx h ALA 74 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jmx h ALA 74 CO -0.19 0.44 -1.41 -0.22 0.00 0.00 0.00 179.25 177.86 2jmx h LYS 75 N 1.15 0.21 0.00 0.00 3.64 -1.06 -3.27 116.57 117.24 2jmx h LYS 75 Ca 0.40 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jmx h LYS 75 Cb 0.10 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2jmx h LYS 75 CO -0.15 1.09 0.00 1.49 -2.27 0.00 0.00 179.45 179.60 2jmx h GLU 76 N 0.06 0.00 -5.85 1.90 4.57 0.36 -3.46 114.58 112.16 2jmx h GLU 76 Ca -0.19 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.61 2jmx h GLU 76 Cb 1.98 0.00 0.12 0.00 -0.16 0.00 0.00 28.75 30.69 2jmx h GLU 76 CO 0.16 0.00 -0.77 1.63 -1.18 0.00 0.00 179.01 178.85 2jmx n LYS 77 N -2.34 -6.34 -0.11 1.92 5.02 -0.29 -4.97 118.16 111.05 2jmx n LYS 77 Ca 0.01 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 56.98 2jmx n LYS 77 Cb 0.19 -5.67 0.09 0.00 -0.02 0.00 0.00 35.03 29.62 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 -4.36 -2.27 -3.48 2.13 3.72 -1.23 -5.03 117.46 106.94 2jmx n PHE 78 Ca -0.22 -0.20 -0.17 0.00 -0.05 0.00 0.00 57.45 56.82 2jmx n PHE 78 Cb 0.64 -0.46 0.02 0.00 -0.94 0.00 0.00 39.48 38.74 2jmx n PHE 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jmx n SER 79 N -3.14 1.95 0.05 4.37 7.64 -1.26 -4.98 113.62 118.25 2jmx n SER 79 Ca 0.04 -2.24 0.09 0.00 1.01 0.00 0.00 58.87 57.77 2jmx n SER 79 Cb 0.18 -0.14 0.39 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.61 0.07 -0.29 1.43 -0.04 -1.26 -2.59 135.00 130.72 2jmx n PRO 80 Ca 0.04 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 2jmx n PRO 80 Cb 0.44 -1.64 0.20 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.78 3.27 -0.06 1.53 4.77 -1.26 -4.61 117.00 118.87 2jmx n LEU 81 Ca 0.03 -2.83 0.01 0.00 -0.03 0.00 0.00 56.01 53.19 2jmx n LEU 81 Cb 0.20 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2jmx n LEU 81 CO 0.16 0.68 0.41 0.41 -1.33 0.00 0.00 177.39 177.72 2jmx n THR 82 N -0.59 0.72 -1.83 -5.08 -1.04 -1.07 -4.66 114.28 100.73 2jmx n THR 82 Ca 0.17 -0.78 -0.19 0.00 -2.04 0.00 0.00 64.05 61.21 2jmx n THR 82 Cb 0.73 0.55 0.07 0.00 -1.82 0.00 0.00 70.33 69.86 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 -0.43 4.59 0.16 8.00 2.88 -1.25 -4.10 113.62 123.47 2jmx n SER 83 Ca 0.02 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.78 2jmx n SER 83 Cb 0.42 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -1.03 0.15 -3.46 2.85 -1.26 -4.79 115.26 106.89 2jmx n ASN 84 Ca 0.42 0.57 0.16 0.00 -0.11 0.00 0.00 54.58 55.62 2jmx n ASN 84 Cb 0.90 1.14 0.74 0.00 1.24 0.00 0.00 39.78 43.81 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 -1.22 1.20 5.85 -1.83 -0.14 115.31 119.17 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 0.53 -0.29 -0.34 0.00 0.00 178.44 178.34 2jmx h ILE 86 N 0.00 1.18 -0.10 4.05 2.10 -1.87 -1.68 117.51 121.19 2jmx h ILE 86 Ca 0.12 -0.36 -0.02 0.00 1.08 0.00 0.00 64.86 65.68 2jmx h ILE 86 Cb 0.55 0.03 -0.00 0.00 -1.09 0.00 0.00 36.82 36.31 2jmx h ILE 86 CO -0.00 0.19 -0.02 0.78 -1.08 0.00 0.00 178.15 178.02 2jmx h ASN 87 N 1.06 0.19 -0.96 2.19 4.21 -1.33 -2.81 115.58 118.12 2jmx h ASN 87 Ca 0.30 -0.37 0.17 0.00 1.21 0.00 0.00 56.30 57.62 2jmx h ASN 87 Cb -0.07 -0.05 -0.10 0.00 -1.12 0.00 0.00 38.32 36.98 2jmx h ASN 87 CO -0.07 0.51 0.57 -0.07 -1.29 0.00 0.00 177.43 177.07 2jmx h LEU 88 N -0.14 0.73 -1.07 1.61 3.38 -1.34 0.78 115.31 119.27 2jmx h LEU 88 Ca 0.02 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2jmx h LEU 88 Cb 0.43 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2jmx h LEU 88 CO 0.01 0.29 0.40 -0.07 0.09 0.00 0.00 178.44 179.16 2jmx h LEU 89 N 0.75 0.94 -3.61 1.67 3.38 -1.15 -2.33 115.31 114.96 2jmx h LEU 89 Ca 0.54 -0.08 -0.32 0.00 0.09 0.00 0.00 57.88 58.11 2jmx h LEU 89 Cb 0.78 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 41.10 2jmx h LEU 89 CO -0.36 0.77 0.21 0.00 0.09 0.00 0.00 178.44 179.14 2jmx n ALA 90 N -2.43 4.86 -0.11 1.53 0.00 0.61 -1.45 120.51 123.52 2jmx n ALA 90 Ca 0.08 -3.05 -0.23 0.00 0.00 0.00 0.00 53.44 50.24 2jmx n ALA 90 Cb 0.11 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.13 0.50 -0.73 0.00 2.13 0.24 -4.63 120.64 117.01 2jmx n GLU 91 Ca 0.44 0.19 -0.01 0.00 0.66 0.00 0.00 57.16 58.44 2jmx n GLU 91 Cb 1.30 -1.34 0.20 0.00 0.27 0.00 0.00 31.44 31.87 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 -3.83 2.38 -1.17 4.31 3.02 -1.25 -4.93 115.26 113.78 2jmx n ASN 92 Ca -0.44 -3.75 -0.03 0.00 -0.03 0.00 0.00 54.58 50.33 2jmx n ASN 92 Cb 0.84 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.10 0.50 2.06 7.41 0.00 -1.26 -4.97 105.19 107.83 2jmx n GLY 93 Ca 0.29 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.31 2.38 -1.09 1.61 5.12 -0.53 -4.51 116.66 118.33 2jmx n ARG 94 Ca -0.02 -3.19 -0.17 0.00 -1.93 0.00 0.00 57.85 52.54 2jmx n ARG 94 Cb 0.52 -2.15 0.17 0.00 -1.16 0.00 0.00 32.46 29.84 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 -1.06 5.63 -0.04 0.55 4.77 -1.18 -4.03 117.00 121.65 2jmx n LEU 95 Ca 0.55 -3.80 -0.09 0.00 -0.03 0.00 0.00 56.01 52.65 2jmx n LEU 95 Cb 1.24 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2jmx n LEU 95 CO 0.58 1.23 -0.66 0.35 -1.33 0.00 0.00 177.39 177.56 2jmx n THR 96 N -1.10 0.92 -1.35 -5.08 -2.24 -1.26 -4.65 114.28 99.52 2jmx n THR 96 Ca 0.48 0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 62.02 2jmx n THR 96 Cb 1.29 -1.76 0.13 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 -3.68 5.19 -0.04 3.42 3.02 -1.26 -4.68 115.26 117.23 2jmx n ASN 97 Ca -0.16 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.68 2jmx n ASN 97 Cb 0.49 -0.84 0.30 0.00 -0.61 0.00 0.00 39.78 39.12 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 1.07 1.18 -0.70 3.41 1.03 -1.83 -2.83 112.91 114.25 2jmx h THR 98 Ca 0.56 -0.64 -0.04 0.00 -0.01 0.00 0.00 66.41 66.28 2jmx h THR 98 Cb 1.86 0.75 -0.03 0.00 -1.07 0.00 0.00 68.15 69.65 2jmx h THR 98 CO 1.19 0.24 0.28 1.55 -0.01 0.00 0.00 175.52 178.77 2jmx h PRO 99 N 0.60 1.03 -0.53 0.00 0.13 -1.94 -1.95 132.00 129.34 2jmx h PRO 99 Ca 0.14 -0.17 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 2jmx h PRO 99 Cb 0.21 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.14 2jmx h PRO 99 CO -0.01 0.84 0.35 0.00 -0.23 0.00 0.00 178.00 178.95 2jmx h ALA 100 N 1.30 1.69 -0.40 -0.56 0.00 -1.88 -0.54 119.26 118.87 2jmx h ALA 100 Ca 0.24 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2jmx h ALA 100 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jmx h ALA 100 CO -0.02 0.26 -0.13 0.28 0.00 0.00 0.00 179.25 179.64 2jmx h VAL 101 N 0.65 1.26 0.03 0.00 2.07 -1.35 -2.99 116.25 115.92 2jmx h VAL 101 Ca 0.21 -1.17 -0.23 0.00 0.82 0.00 0.00 66.70 66.33 2jmx h VAL 101 Cb 0.02 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2jmx h VAL 101 CO -0.05 0.40 -0.99 0.40 0.02 0.00 0.00 177.57 177.34 2jmx h ILE 102 N 0.65 1.45 -0.48 4.57 2.04 -1.07 -3.26 117.51 121.41 2jmx h ILE 102 Ca 0.11 -2.64 0.04 0.00 1.00 0.00 0.00 64.86 63.37 2jmx h ILE 102 Cb 0.59 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 2jmx h ILE 102 CO 0.04 0.78 0.25 -1.28 0.00 0.00 0.00 178.15 177.93 2jmx h SER 103 N 0.16 0.36 -0.51 1.72 0.87 -1.01 -0.78 113.55 114.36 2jmx h SER 103 Ca -0.08 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2jmx h SER 103 Cb 1.65 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.53 2jmx h SER 103 CO 0.16 0.25 0.34 0.00 -0.53 0.00 0.00 176.83 177.06 2jmx h ALA 104 N 1.25 1.93 -0.51 6.23 0.00 -1.59 -1.88 119.26 124.68 2jmx h ALA 104 Ca 0.21 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jmx h ALA 104 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2jmx h ALA 104 CO -0.14 -0.02 0.26 0.35 0.00 0.00 0.00 179.25 179.71 2jmx h PHE 105 N 0.43 0.49 -0.46 0.00 3.04 -1.18 0.49 116.94 119.73 2jmx h PHE 105 Ca 0.22 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.11 2jmx h PHE 105 Cb 0.33 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 2jmx h PHE 105 CO -0.00 0.24 -0.06 1.03 -2.02 0.00 0.00 178.31 177.51 2jmx h SER 106 N 0.52 0.78 0.25 0.41 0.87 -1.24 0.31 113.55 115.45 2jmx h SER 106 Ca 0.22 -0.21 -0.23 0.00 -1.23 0.00 0.00 61.79 60.34 2jmx h SER 106 Cb 0.12 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2jmx h SER 106 CO -0.15 0.88 -0.92 0.74 -0.53 0.00 0.00 176.83 176.86 2jmx h THR 107 N 0.74 1.37 -0.00 2.23 2.02 -1.12 -3.06 112.91 115.08 2jmx h THR 107 Ca 0.13 -2.35 -0.19 0.00 0.77 0.00 0.00 66.41 64.78 2jmx h THR 107 Cb 0.53 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2jmx h THR 107 CO 0.03 0.71 -0.84 0.24 0.37 0.00 0.00 175.52 176.03 2jmx h MET 108 N 0.28 0.18 -0.97 6.66 2.07 0.11 -3.13 114.93 120.12 2jmx h MET 108 Ca -0.08 -0.19 0.05 0.00 -2.07 0.00 0.00 59.70 57.41 2jmx h MET 108 Cb 1.54 0.05 -0.06 0.00 -1.87 0.00 0.00 31.60 31.27 2jmx h MET 108 CO 0.16 0.92 0.63 1.98 1.07 0.00 0.00 176.91 181.68 2jmx h MET 109 N 0.10 1.15 -0.44 1.72 -1.53 -0.39 -0.40 114.93 115.15 2jmx h MET 109 Ca -0.04 -0.07 0.10 0.00 -3.44 0.00 0.00 59.70 56.26 2jmx h MET 109 Cb 1.45 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 32.22 2jmx h MET 109 CO 0.13 0.76 0.31 0.77 0.14 0.00 0.00 176.91 179.01 2jmx h SER 110 N 1.18 0.13 1.03 1.39 0.02 -1.47 0.14 113.55 115.96 2jmx h SER 110 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2jmx h SER 110 Cb 0.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2jmx h SER 110 CO -0.14 0.08 0.00 0.52 -1.14 0.00 0.00 176.83 176.15 2jmx n VAL 111 N -4.44 0.23 0.08 2.27 0.31 -0.17 -2.65 118.33 113.96 2jmx n VAL 111 Ca 0.07 -0.02 0.05 0.00 -0.01 0.00 0.00 64.34 64.43 2jmx n VAL 111 Cb 0.41 -0.58 -0.02 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.00 3.52 -0.00 -0.62 -3.38 115.15 114.67 2jmx h HIS 112 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 60.37 60.03 2jmx h HIS 112 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.86 2jmx h HIS 112 CO 0.00 0.32 -2.20 -2.13 -0.00 0.00 0.00 177.93 173.93 2jmx n ARG 113 N -2.87 0.67 0.00 5.12 0.63 -1.16 -3.52 116.66 115.53 2jmx n ARG 113 Ca -0.04 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2jmx n ARG 113 Cb 0.70 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 32.02 2jmx n ARG 113 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jmx n GLY 114 N 1.68 -2.66 2.58 5.14 0.00 -1.08 -4.30 105.19 106.56 2jmx n GLY 114 Ca -0.28 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 2jmx n GLY 114 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jmx n GLU 115 N -2.17 2.07 -2.82 1.61 0.28 -1.26 -4.88 120.64 113.47 2jmx n GLU 115 Ca 0.00 -3.74 -0.11 0.00 -0.16 0.00 0.00 57.16 53.15 2jmx n GLU 115 Cb 0.00 -1.65 0.04 0.00 1.43 0.00 0.00 31.44 31.25 2jmx n GLU 115 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2jmx n VAL 116 N -0.26 0.35 -2.42 3.84 0.31 -1.23 -5.05 118.33 113.87 2jmx n VAL 116 Ca 0.21 -2.94 -0.41 0.00 -0.01 0.00 0.00 64.34 61.18 2jmx n VAL 116 Cb 0.77 0.60 -0.04 0.00 -0.91 0.00 0.00 33.84 34.26 2jmx n VAL 116 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2jmx s PRO 117 N -1.82 4.53 -0.19 5.55 0.04 -1.26 -4.67 135.00 137.18 2jmx s PRO 117 Ca 0.29 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 63.11 2jmx s PRO 117 Cb 0.40 -3.25 0.09 0.00 0.04 0.00 0.00 34.50 31.78 2jmx s PRO 117 CO -0.03 -0.02 0.21 0.00 0.04 0.00 0.00 177.00 177.20 2jmx s THR 119 N 2.31 2.28 0.00 0.00 -4.23 -1.26 -4.77 115.64 109.97 2jmx s THR 119 Ca 0.06 -3.06 0.00 0.00 -1.18 0.00 0.00 61.69 57.51 2jmx s THR 119 Cb -0.15 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2jmx s THR 119 CO -0.11 -0.81 0.09 0.52 -0.54 0.00 0.00 174.62 173.78