#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 0.00 0.00 3.13 0.00 -1.26 -5.12 120.51 117.26 2jmx n ALA 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2jmx n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jmx n ALA 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jmx n LYS 3 N -0.13 0.06 -3.64 0.00 4.01 -1.26 -5.10 118.16 112.10 2jmx n LYS 3 Ca 0.00 0.03 -0.06 0.00 -0.51 0.00 0.00 58.31 57.77 2jmx n LYS 3 Cb 0.00 -0.40 -0.07 0.00 -0.51 0.00 0.00 35.03 34.05 2jmx n LYS 3 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2jmx s LEU 4 N -5.83 -0.81 -0.31 -0.35 2.96 -1.26 -5.13 118.68 107.94 2jmx s LEU 4 Ca -0.03 1.30 0.03 0.00 -0.22 0.00 0.00 54.13 55.21 2jmx s LEU 4 Cb 0.00 2.19 0.09 0.00 0.50 0.00 0.00 46.19 48.97 2jmx s LEU 4 CO 0.05 -0.21 0.01 -0.69 -1.32 0.00 0.00 176.35 174.19 2jmx s VAL 5 N 1.55 2.03 0.33 1.68 1.01 -1.26 -5.11 120.40 120.62 2jmx s VAL 5 Ca -0.10 -1.97 0.09 0.00 0.00 0.00 0.00 61.98 60.00 2jmx s VAL 5 Cb -0.05 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2jmx s VAL 5 CO -0.18 -0.43 -0.03 -0.13 0.00 0.00 0.00 175.10 174.32 2jmx s ARG 6 N 1.07 2.00 0.34 2.72 0.52 -1.26 -5.11 118.95 119.24 2jmx s ARG 6 Ca 0.05 -1.75 -0.27 0.00 -0.52 0.00 0.00 55.73 53.23 2jmx s ARG 6 Cb -0.19 -1.89 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 2jmx s ARG 6 CO -0.09 0.18 1.13 -1.25 0.02 0.00 0.00 175.30 175.29 2jmx s PRO 7 N -3.67 4.34 -0.44 3.54 0.04 -1.26 -4.96 135.00 132.59 2jmx s PRO 7 Ca 0.33 1.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 2jmx s PRO 7 Cb -0.01 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2jmx s PRO 7 CO 0.18 -0.06 1.50 -1.25 0.04 0.00 0.00 177.00 177.41 2jmx s PRO 8 N -1.94 3.42 -0.52 0.56 0.04 -1.26 -4.94 135.00 130.36 2jmx s PRO 8 Ca 0.51 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2jmx s PRO 8 Cb -0.30 -4.10 0.17 0.00 0.04 0.00 0.00 34.50 30.31 2jmx s PRO 8 CO 0.39 -1.76 0.39 0.08 0.04 0.00 0.00 177.00 176.13 2jmx s VAL 9 N 6.01 1.31 -0.20 -0.36 1.01 -1.26 -4.91 120.40 122.00 2jmx s VAL 9 Ca 0.62 -3.20 -0.10 0.00 0.00 0.00 0.00 61.98 59.30 2jmx s VAL 9 Cb -0.14 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 2jmx s VAL 9 CO 0.30 -1.13 -0.26 1.67 0.00 0.00 0.00 175.10 175.69 2jmx n GLN 10 N 2.61 0.42 0.00 2.72 7.27 -1.26 -4.77 117.38 124.37 2jmx n GLN 10 Ca 0.24 0.18 0.05 0.00 0.07 0.00 0.00 57.00 57.55 2jmx n GLN 10 Cb 0.42 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 31.87 2jmx n GLN 10 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 2jmx n ILE 11 N -3.91 0.00 -3.37 1.69 0.13 -1.26 -5.06 119.36 107.59 2jmx n ILE 11 Ca -0.38 -0.40 -0.25 0.00 -1.10 0.00 0.00 62.75 60.62 2jmx n ILE 11 Cb 0.76 1.12 0.01 0.00 -0.84 0.00 0.00 39.64 40.70 2jmx n ILE 11 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2jmx n TYR 12 N -0.20 -1.87 0.00 9.51 4.11 -1.26 -4.67 117.16 122.78 2jmx n TYR 12 Ca 0.04 0.78 0.00 0.00 -0.00 0.00 0.00 57.90 58.72 2jmx n TYR 12 Cb 0.21 -1.91 0.00 0.00 -0.00 0.00 0.00 39.34 37.64 2jmx n TYR 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2jmx n GLY 13 N -0.93 2.94 0.48 -7.48 0.00 -1.26 -4.86 105.19 94.09 2jmx n GLY 13 Ca -0.19 -0.79 0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 0.50 -0.84 -0.61 6.09 -2.02 0.88 117.51 121.52 2jmx h ILE 14 Ca 0.00 -0.04 0.18 0.00 -1.37 0.00 0.00 64.86 63.63 2jmx h ILE 14 Cb 0.00 0.38 -0.06 0.00 0.47 0.00 0.00 36.82 37.61 2jmx h ILE 14 CO 0.00 0.02 0.56 -0.33 -3.07 0.00 0.00 178.15 175.33 2jmx h GLU 15 N 0.11 0.40 -0.69 2.19 3.07 -1.93 0.95 114.58 118.68 2jmx h GLU 15 Ca 0.52 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.31 2jmx h GLU 15 Cb 1.84 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.63 2jmx h GLU 15 CO -0.08 0.27 0.29 0.78 -1.40 0.00 0.00 179.01 178.87 2jmx h GLY 16 N 0.41 1.10 1.57 -3.84 0.00 -1.04 -2.29 103.07 98.97 2jmx h GLY 16 Ca 0.42 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2jmx h GLY 16 CO -0.15 0.55 0.24 3.21 0.00 0.00 0.00 176.54 180.39 2jmx h ARG 17 N 0.97 0.57 -0.94 4.80 3.08 -0.93 -1.96 114.38 119.98 2jmx h ARG 17 Ca 0.23 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.40 2jmx h ARG 17 Cb 0.19 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 2jmx h ARG 17 CO -0.02 0.42 0.60 1.88 -1.07 0.00 0.00 179.97 181.77 2jmx h TYR 18 N 0.58 0.86 -0.06 3.04 -1.99 -1.11 1.01 116.97 119.29 2jmx h TYR 18 Ca 0.15 0.03 -0.24 0.00 2.00 0.00 0.00 58.73 60.67 2jmx h TYR 18 Cb 0.00 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 38.48 2jmx h TYR 18 CO 0.00 0.27 -0.92 0.00 -0.00 0.00 0.00 178.16 177.51 2jmx h ALA 19 N 1.60 0.24 -0.03 3.88 0.00 -1.41 -2.23 119.26 121.31 2jmx h ALA 19 Ca 0.49 -0.66 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 2jmx h ALA 19 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jmx h ALA 19 CO -0.25 0.70 -0.75 1.79 0.00 0.00 0.00 179.25 180.74 2jmx h THR 20 N 0.44 1.44 0.00 0.00 1.35 -0.83 0.41 112.91 115.71 2jmx h THR 20 Ca -0.09 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 2jmx h THR 20 Cb 1.56 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 2jmx h THR 20 CO 0.18 0.68 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 2jmx n ALA 21 N -2.47 2.14 -0.13 6.62 0.00 0.33 -0.54 120.51 126.46 2jmx n ALA 21 Ca -0.03 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 2jmx n ALA 21 Cb 0.72 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.30 2.48 0.12 0.00 7.94 -0.84 -4.27 117.00 120.13 2jmx n LEU 22 Ca 0.05 0.11 0.13 0.00 -1.11 0.00 0.00 56.01 55.18 2jmx n LEU 22 Cb 0.39 -0.88 0.43 0.00 0.53 0.00 0.00 43.42 43.89 2jmx n LEU 22 CO 0.28 0.75 0.88 0.10 -1.11 0.00 0.00 177.39 178.29 2jmx h TYR 23 N -0.47 0.00 -0.95 1.96 -0.00 -0.27 -3.21 116.97 114.04 2jmx h TYR 23 Ca -0.62 0.00 0.17 0.00 0.00 0.00 0.00 58.73 58.28 2jmx h TYR 23 Cb 1.76 0.00 -0.10 0.00 0.00 0.00 0.00 36.73 38.39 2jmx h TYR 23 CO -0.02 0.00 0.54 1.03 -0.00 0.00 0.00 178.16 179.72 2jmx h SER 24 N 0.00 0.70 -0.10 0.10 0.87 -0.98 1.13 113.55 115.26 2jmx h SER 24 Ca 0.00 0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.43 2jmx h SER 24 Cb 0.62 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2jmx h SER 24 CO 0.00 0.27 -0.79 0.00 -0.53 0.00 0.00 176.83 175.79 2jmx h ALA 25 N 1.60 0.23 -0.93 6.23 0.00 -1.80 -3.12 119.26 121.48 2jmx h ALA 25 Ca 0.53 -0.61 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2jmx h ALA 25 Cb 0.77 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2jmx h ALA 25 CO -0.37 0.62 0.60 0.00 0.00 0.00 0.00 179.25 180.10 2jmx h ALA 26 N 0.49 1.59 -0.98 0.00 0.00 -0.31 -1.08 119.26 118.98 2jmx h ALA 26 Ca -0.07 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.96 2jmx h ALA 26 Cb 1.43 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2jmx h ALA 26 CO 0.16 0.22 0.61 0.66 0.00 0.00 0.00 179.25 180.90 2jmx h SER 27 N 0.94 0.90 -0.13 0.00 4.64 0.11 0.35 113.55 120.37 2jmx h SER 27 Ca 0.44 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.66 2jmx h SER 27 Cb 0.40 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2jmx h SER 27 CO -0.20 0.48 -0.39 0.11 -0.87 0.00 0.00 176.83 175.97 2jmx h LYS 28 N 0.97 0.65 -0.34 4.77 1.57 -1.27 -2.89 116.57 120.03 2jmx h LYS 28 Ca 0.48 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2jmx h LYS 28 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2jmx h LYS 28 CO -0.26 0.93 0.00 1.04 -0.57 0.00 0.00 179.45 180.59 2jmx n GLN 29 N -4.04 1.89 -3.43 3.15 6.02 -0.27 -4.93 117.38 115.78 2jmx n GLN 29 Ca -0.02 -1.37 -0.20 0.00 -0.01 0.00 0.00 57.00 55.41 2jmx n GLN 29 Cb 0.52 -1.34 0.07 0.00 1.02 0.00 0.00 30.24 30.52 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 0.60 -4.87 -0.99 1.08 2.85 0.10 -4.92 115.26 109.11 2jmx n ASN 30 Ca 0.14 -0.50 0.09 0.00 -0.11 0.00 0.00 54.58 54.20 2jmx n ASN 30 Cb 0.34 -4.57 0.21 0.00 1.24 0.00 0.00 39.78 37.00 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 -4.33 2.48 -0.35 1.20 4.01 0.04 -4.58 118.16 116.63 2jmx n LYS 31 Ca -0.06 -2.22 0.26 0.00 -0.51 0.00 0.00 58.31 55.78 2jmx n LYS 31 Cb 0.58 -1.43 0.53 0.00 -0.51 0.00 0.00 35.03 34.20 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 3.49 0.42 0.06 -0.35 -0.00 -1.92 0.99 115.31 118.00 2jmx h LEU 32 Ca 0.00 0.11 -0.26 0.00 -0.00 0.00 0.00 57.88 57.73 2jmx h LEU 32 Cb 0.86 0.05 0.02 0.00 -0.00 0.00 0.00 40.66 41.60 2jmx h LEU 32 CO 0.00 0.01 -1.04 -0.08 -0.00 0.00 0.00 178.44 177.33 2jmx h GLU 33 N 0.33 0.59 0.00 1.13 4.57 -1.97 0.52 114.58 119.75 2jmx h GLU 33 Ca 0.66 -0.72 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2jmx h GLU 33 Cb 1.75 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.56 2jmx h GLU 33 CO -0.36 1.31 -0.21 1.96 -1.18 0.00 0.00 179.01 180.53 2jmx h GLN 34 N 0.20 0.00 0.02 1.92 1.08 -0.18 -1.79 115.11 116.37 2jmx h GLN 34 Ca -0.15 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 56.67 2jmx h GLN 34 Cb 1.72 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 29.09 2jmx h GLN 34 CO 0.20 0.21 -2.39 0.28 -0.95 0.00 0.00 178.83 176.18 2jmx n VAL 35 N -3.92 1.53 0.26 -0.54 0.31 0.29 -3.44 118.33 112.81 2jmx n VAL 35 Ca -0.02 -0.60 0.14 0.00 -0.01 0.00 0.00 64.34 63.86 2jmx n VAL 35 Cb 0.30 -1.42 0.60 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.01 0.00 0.03 5.55 4.81 0.03 -2.41 114.58 122.60 2jmx h GLU 36 Ca -0.55 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.30 2jmx h GLU 36 Cb 1.94 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.26 2jmx h GLU 36 CO -0.06 0.08 -2.30 1.17 -0.73 0.00 0.00 179.01 177.18 2jmx n LYS 37 N -3.22 0.68 -0.03 1.92 4.81 -0.67 -4.15 118.16 117.50 2jmx n LYS 37 Ca 0.00 0.16 -0.09 0.00 -0.87 0.00 0.00 58.31 57.52 2jmx n LYS 37 Cb 0.35 -1.58 0.07 0.00 0.02 0.00 0.00 35.03 33.88 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 0.02 0.66 -0.82 1.64 4.39 -1.61 -2.89 114.58 115.96 2jmx h GLU 38 Ca -0.52 -0.34 0.11 0.00 0.34 0.00 0.00 59.36 58.95 2jmx h GLU 38 Cb 1.99 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.60 2jmx h GLU 38 CO -0.02 0.95 0.54 -0.07 -1.16 0.00 0.00 179.01 179.25 2jmx h LEU 39 N 0.54 0.65 -1.52 1.33 3.38 -1.63 -0.54 115.31 117.52 2jmx h LEU 39 Ca 0.04 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 2jmx h LEU 39 Cb 0.94 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2jmx h LEU 39 CO 0.09 0.37 0.41 0.25 0.09 0.00 0.00 178.44 179.64 2jmx h LEU 40 N 0.71 0.52 -0.75 1.67 6.46 -1.67 -2.07 115.31 120.17 2jmx h LEU 40 Ca 0.39 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 58.16 2jmx h LEU 40 Cb 0.54 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 2jmx h LEU 40 CO -0.16 0.34 0.50 0.03 -0.62 0.00 0.00 178.44 178.52 2jmx h ARG 41 N 0.59 0.98 -0.61 1.25 -0.00 -1.18 -1.85 114.38 113.54 2jmx h ARG 41 Ca 0.26 -0.06 0.09 0.00 -0.50 0.00 0.00 59.98 59.77 2jmx h ARG 41 Cb 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 29.97 30.00 2jmx h ARG 41 CO -0.08 0.65 0.41 0.28 0.00 0.00 0.00 179.97 181.23 2jmx h VAL 42 N 1.01 0.93 -0.46 2.04 2.07 -1.43 -1.50 116.25 118.90 2jmx h VAL 42 Ca 0.28 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 2jmx h VAL 42 Cb -0.10 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2jmx h VAL 42 CO -0.07 0.09 0.04 1.23 0.02 0.00 0.00 177.57 178.88 2jmx h GLY 43 N 0.48 0.85 0.76 2.17 0.00 -1.35 -2.77 103.07 103.22 2jmx h GLY 43 Ca 0.28 -0.60 0.08 0.00 0.00 0.00 0.00 47.33 47.09 2jmx h GLY 43 CO -0.08 0.55 0.61 1.46 0.00 0.00 0.00 176.54 179.08 2jmx h GLN 44 N 0.65 1.00 -0.94 4.80 1.08 -1.11 0.19 115.11 120.78 2jmx h GLN 44 Ca 0.14 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2jmx h GLN 44 Cb 0.44 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.60 2jmx h GLN 44 CO 0.02 0.66 0.57 0.82 -0.95 0.00 0.00 178.83 179.95 2jmx h ILE 45 N 1.04 1.26 -0.01 2.54 5.03 -1.29 0.71 117.51 126.79 2jmx h ILE 45 Ca 0.42 -0.55 -0.22 0.00 -0.12 0.00 0.00 64.86 64.38 2jmx h ILE 45 Cb 0.26 -0.08 0.00 0.00 -3.03 0.00 0.00 36.82 33.98 2jmx h ILE 45 CO -0.17 0.27 -0.92 0.25 -0.68 0.00 0.00 178.15 176.90 2jmx h LEU 46 N 1.29 0.55 -0.45 1.44 7.12 -1.03 -3.21 115.31 121.03 2jmx h LEU 46 Ca 0.34 -0.43 -0.11 0.00 0.13 0.00 0.00 57.88 57.81 2jmx h LEU 46 Cb -0.07 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 39.88 2jmx h LEU 46 CO -0.06 1.22 -0.52 0.50 -0.13 0.00 0.00 178.44 179.45 2jmx h LYS 47 N 0.25 0.00 -6.57 1.25 3.64 -0.22 -3.37 116.57 111.55 2jmx h LYS 47 Ca -0.08 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.71 2jmx h LYS 47 Cb 1.55 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.46 2jmx h LYS 47 CO 0.16 0.52 0.52 0.39 -2.27 0.00 0.00 179.45 178.77 2jmx n GLU 48 N -3.40 1.89 0.09 1.90 1.02 0.24 -4.78 120.64 117.60 2jmx n GLU 48 Ca 0.01 0.67 -0.04 0.00 -0.02 0.00 0.00 57.16 57.77 2jmx n GLU 48 Cb 0.66 -2.28 0.14 0.00 -0.02 0.00 0.00 31.44 29.94 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 3.75 0.21 0.06 3.49 0.13 -1.89 0.81 132.00 138.55 2jmx h PRO 49 Ca -0.45 -0.14 -0.24 0.00 -0.87 0.00 0.00 66.00 64.30 2jmx h PRO 49 Cb 1.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jmx h PRO 49 CO 0.72 0.73 -1.07 0.87 -0.23 0.00 0.00 178.00 179.03 2jmx h LYS 50 N 0.15 0.30 0.01 0.86 1.57 -1.94 -3.31 116.57 114.21 2jmx h LYS 50 Ca -0.00 -0.40 -0.27 0.00 -1.87 0.00 0.00 60.65 58.10 2jmx h LYS 50 Cb 1.08 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 2jmx h LYS 50 CO 0.09 1.13 -1.53 1.98 -0.57 0.00 0.00 179.45 180.55 2jmx h MET 51 N 0.13 0.02 -0.89 3.15 4.05 -1.79 -3.35 114.93 116.25 2jmx h MET 51 Ca -0.10 -0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.41 2jmx h MET 51 Cb 1.75 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.50 2jmx h MET 51 CO 0.18 0.68 0.57 0.00 0.23 0.00 0.00 176.91 178.57 2jmx h ALA 52 N 0.94 1.77 -0.44 0.39 0.00 0.57 -0.07 119.26 122.42 2jmx h ALA 52 Ca -0.22 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2jmx h ALA 52 Cb 1.95 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2jmx h ALA 52 CO 0.10 0.00 0.30 0.00 0.00 0.00 0.00 179.25 179.65 2jmx h ALA 53 N 1.59 1.99 0.00 0.00 0.00 -1.69 0.59 119.26 121.73 2jmx h ALA 53 Ca 0.44 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 2jmx h ALA 53 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jmx h ALA 53 CO -0.20 -0.08 -0.20 1.03 0.00 0.00 0.00 179.25 179.81 2jmx h SER 54 N 0.33 0.00 0.50 0.00 0.87 -1.23 -2.23 113.55 111.79 2jmx h SER 54 Ca 0.19 -0.76 -0.07 0.00 -1.23 0.00 0.00 61.79 59.93 2jmx h SER 54 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2jmx h SER 54 CO -0.04 0.99 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.85 2jmx h LEU 55 N -1.00 0.00 0.00 2.23 3.38 -1.31 -2.96 115.31 115.65 2jmx h LEU 55 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2jmx h LEU 55 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2jmx h LEU 55 CO -0.03 0.33 -0.90 0.25 0.09 0.00 0.00 178.44 178.18 2jmx h LEU 56 N 0.00 0.00 -9.46 1.67 7.12 0.06 -3.48 115.31 111.22 2jmx h LEU 56 Ca -0.00 0.00 -0.59 0.00 0.13 0.00 0.00 57.88 57.42 2jmx h LEU 56 Cb 0.67 0.00 0.16 0.00 -0.53 0.00 0.00 40.66 40.96 2jmx h LEU 56 CO 0.04 0.40 -0.38 0.59 -0.13 0.00 0.00 178.44 178.97 2jmx n ASN 57 N -2.99 -0.92 0.03 1.25 4.13 -0.84 -4.84 115.26 111.09 2jmx n ASN 57 Ca -0.03 0.79 0.10 0.00 1.68 0.00 0.00 54.58 57.12 2jmx n ASN 57 Cb 0.73 -1.16 0.40 0.00 -1.54 0.00 0.00 39.78 38.21 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 0.15 0.06 -0.08 3.52 -0.04 -1.26 -3.82 135.00 133.53 2jmx n PRO 58 Ca 0.11 0.24 -0.08 0.00 -0.04 0.00 0.00 63.50 63.74 2jmx n PRO 58 Cb 0.45 -1.59 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 2jmx n PRO 58 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jmx n TYR 59 N -1.69 0.79 -3.08 0.54 4.02 -1.26 -5.05 117.16 111.43 2jmx n TYR 59 Ca 0.04 0.34 -0.12 0.00 -0.01 0.00 0.00 57.90 58.16 2jmx n TYR 59 Cb 0.23 -0.78 0.01 0.00 -0.02 0.00 0.00 39.34 38.78 2jmx n TYR 59 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2jmx n VAL 60 N -4.57 -7.06 -1.93 -0.72 0.31 -1.25 -4.80 118.33 98.32 2jmx n VAL 60 Ca -0.12 0.82 -0.42 0.00 -0.01 0.00 0.00 64.34 64.61 2jmx n VAL 60 Cb 0.36 -5.09 -0.03 0.00 -0.91 0.00 0.00 33.84 28.17 2jmx n VAL 60 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2jmx s LYS 61 N -1.89 4.19 0.31 5.55 -0.14 -1.26 -4.88 119.74 121.61 2jmx s LYS 61 Ca 0.15 2.31 -0.01 0.00 -1.36 0.00 0.00 55.97 57.07 2jmx s LYS 61 Cb -0.03 -3.82 0.49 0.00 -1.68 0.00 0.00 37.83 32.79 2jmx s LYS 61 CO 0.59 -0.80 1.97 0.00 -0.76 0.00 0.00 175.35 176.34 2jmx h ARG 62 N 9.09 1.03 -0.22 1.68 2.47 -1.95 -0.91 114.38 125.57 2jmx h ARG 62 Ca -0.42 -0.06 -0.20 0.00 -1.26 0.00 0.00 59.98 58.04 2jmx h ARG 62 Cb 1.20 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2jmx h ARG 62 CO 0.94 0.68 -0.63 0.66 0.56 0.00 0.00 179.97 182.18 2jmx h SER 63 N 1.06 0.90 -0.55 7.04 4.64 -1.96 -2.00 113.55 122.67 2jmx h SER 63 Ca 0.31 -0.52 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 2jmx h SER 63 Cb -0.06 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.75 2jmx h SER 63 CO -0.08 1.31 -0.04 0.58 -0.87 0.00 0.00 176.83 177.73 2jmx h VAL 64 N 0.58 1.27 -0.53 0.95 2.07 -1.84 0.98 116.25 119.73 2jmx h VAL 64 Ca -0.01 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.20 2jmx h VAL 64 Cb 1.24 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2jmx h VAL 64 CO 0.13 0.42 -0.14 0.11 0.02 0.00 0.00 177.57 178.11 2jmx h LYS 65 N 0.89 1.04 -0.34 1.57 1.79 -1.17 0.19 116.57 120.53 2jmx h LYS 65 Ca 0.15 -0.40 -0.17 0.00 -2.18 0.00 0.00 60.65 58.05 2jmx h LYS 65 Cb 0.60 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2jmx h LYS 65 CO 0.04 1.09 -0.46 0.28 -1.08 0.00 0.00 179.45 179.32 2jmx h VAL 66 N 0.91 1.27 -0.31 0.50 2.07 -1.21 -0.54 116.25 118.95 2jmx h VAL 66 Ca 0.13 -1.64 -0.16 0.00 0.82 0.00 0.00 66.70 65.86 2jmx h VAL 66 Cb 0.72 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 2jmx h VAL 66 CO 0.06 0.54 -0.44 0.50 0.02 0.00 0.00 177.57 178.25 2jmx h LYS 67 N 0.71 0.78 -0.33 1.57 3.64 -0.69 -1.82 116.57 120.44 2jmx h LYS 67 Ca 0.04 -0.43 -0.14 0.00 -1.27 0.00 0.00 60.65 58.84 2jmx h LYS 67 Cb 1.06 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2jmx h LYS 67 CO 0.11 1.06 -0.37 1.03 -2.27 0.00 0.00 179.45 179.01 2jmx h SER 68 N 0.63 0.81 -0.42 4.20 0.87 -0.57 -1.29 113.55 117.78 2jmx h SER 68 Ca 0.04 -0.36 -0.12 0.00 -1.23 0.00 0.00 61.79 60.13 2jmx h SER 68 Cb 1.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2jmx h SER 68 CO 0.10 1.09 -0.17 -0.07 -0.53 0.00 0.00 176.83 177.25 2jmx h LEU 69 N 0.64 0.92 -0.30 2.23 3.38 -1.01 -0.05 115.31 121.11 2jmx h LEU 69 Ca 0.06 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2jmx h LEU 69 Cb 0.91 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jmx h LEU 69 CO 0.08 1.07 -0.36 -1.28 0.09 0.00 0.00 178.44 178.05 2jmx h SER 70 N 0.80 0.84 1.19 -0.43 0.87 -1.23 0.24 113.55 115.83 2jmx h SER 70 Ca 0.12 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2jmx h SER 70 Cb 0.71 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2jmx h SER 70 CO 0.05 1.16 0.00 0.44 -0.53 0.00 0.00 176.83 177.95 2jmx h ASP 71 N 0.53 0.00 0.09 6.23 3.32 -1.14 -0.98 116.42 124.47 2jmx h ASP 71 Ca 0.04 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.78 2jmx h ASP 71 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2jmx h ASP 71 CO 0.09 0.00 -1.66 -0.03 -1.72 0.00 0.00 179.24 175.91 2jmx h MET 72 N 0.00 0.18 -0.56 3.56 4.05 -0.78 -3.27 114.93 118.11 2jmx h MET 72 Ca 0.00 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.10 2jmx h MET 72 Cb 0.59 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.48 2jmx h MET 72 CO 0.00 1.15 0.30 1.15 0.23 0.00 0.00 176.91 179.74 2jmx h THR 73 N -0.33 1.18 -0.71 -0.77 2.02 -0.49 0.90 112.91 114.70 2jmx h THR 73 Ca -0.38 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2jmx h THR 73 Cb 1.76 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 2jmx h THR 73 CO -0.01 0.20 0.33 0.00 0.37 0.00 0.00 175.52 176.41 2jmx h ALA 74 N 1.55 1.24 0.00 6.16 0.00 -1.30 -2.85 119.26 124.07 2jmx h ALA 74 Ca 0.20 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 2jmx h ALA 74 Cb 0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 2jmx h ALA 74 CO -0.03 0.58 -1.75 1.63 0.00 0.00 0.00 179.25 179.68 2jmx n LYS 75 N -4.32 0.64 0.16 0.00 4.76 -0.81 -4.04 118.16 114.54 2jmx n LYS 75 Ca 0.07 0.27 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 2jmx n LYS 75 Cb 0.14 -1.77 0.56 0.00 -1.84 0.00 0.00 35.03 32.12 2jmx n LYS 75 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2jmx h GLU 76 N 0.00 0.00 -5.61 1.97 4.57 0.92 -3.46 114.58 112.97 2jmx h GLU 76 Ca -0.30 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.54 2jmx h GLU 76 Cb 2.01 0.00 0.16 0.00 -0.16 0.00 0.00 28.75 30.75 2jmx h GLU 76 CO 0.07 0.00 -0.72 1.17 -1.18 0.00 0.00 179.01 178.35 2jmx n LYS 77 N -2.33 -6.88 -0.12 1.92 4.81 -1.08 -4.98 118.16 109.51 2jmx n LYS 77 Ca 0.01 0.82 -0.08 0.00 -0.87 0.00 0.00 58.31 58.18 2jmx n LYS 77 Cb 0.17 -5.79 0.08 0.00 0.02 0.00 0.00 35.03 29.51 2jmx n LYS 77 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2jmx n PHE 78 N -4.33 -2.16 -3.61 5.64 3.72 -1.25 -5.04 117.46 110.42 2jmx n PHE 78 Ca -0.19 -0.17 -0.07 0.00 -0.05 0.00 0.00 57.45 56.97 2jmx n PHE 78 Cb 0.63 -0.45 -0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2jmx n PHE 78 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jmx n SER 79 N -2.91 1.47 0.02 4.37 3.41 -1.26 -4.99 113.62 113.72 2jmx n SER 79 Ca 0.04 -1.49 0.09 0.00 -0.26 0.00 0.00 58.87 57.25 2jmx n SER 79 Cb 0.17 -0.01 0.41 0.00 -0.26 0.00 0.00 64.21 64.52 2jmx n SER 79 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2jmx n PRO 80 N -0.82 0.03 -0.68 4.33 -0.04 -1.26 -2.77 135.00 133.79 2jmx n PRO 80 Ca -0.01 0.21 -0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2jmx n PRO 80 Cb 0.16 -1.55 0.22 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.61 4.07 -0.97 1.53 7.99 -1.26 -4.58 117.00 122.16 2jmx n LEU 81 Ca 0.04 -3.50 0.04 0.00 -0.01 0.00 0.00 56.01 52.58 2jmx n LEU 81 Cb 0.23 -0.61 0.05 0.00 -0.11 0.00 0.00 43.42 42.99 2jmx n LEU 81 CO 0.18 1.05 0.20 0.41 -1.51 0.00 0.00 177.39 177.72 2jmx n THR 82 N -0.94 0.49 -2.54 -5.08 -1.04 -1.11 -4.74 114.28 99.31 2jmx n THR 82 Ca 0.30 -1.17 -0.20 0.00 -2.04 0.00 0.00 64.05 60.94 2jmx n THR 82 Cb 1.00 0.57 0.01 0.00 -1.82 0.00 0.00 70.33 70.09 2jmx n THR 82 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2jmx n SER 83 N -0.04 3.45 0.14 8.00 3.41 -1.26 -4.48 113.62 122.84 2jmx n SER 83 Ca 0.07 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 2jmx n SER 83 Cb 0.92 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2jmx n SER 83 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jmx n ASN 84 N -0.33 -2.56 0.19 4.04 4.13 -1.26 -4.87 115.26 114.59 2jmx n ASN 84 Ca 0.27 0.59 0.15 0.00 1.68 0.00 0.00 54.58 57.28 2jmx n ASN 84 Cb 0.73 2.56 0.77 0.00 -1.54 0.00 0.00 39.78 42.29 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 -0.44 3.41 5.85 -1.85 -0.70 115.31 121.58 2jmx h LEU 85 Ca 0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 2jmx h LEU 85 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2jmx h LEU 85 CO 0.00 0.00 0.02 0.40 -0.34 0.00 0.00 178.44 178.52 2jmx h ILE 86 N 0.00 1.26 0.17 4.05 5.03 -1.90 -1.42 117.51 124.70 2jmx h ILE 86 Ca 0.09 -0.99 -0.01 0.00 -0.12 0.00 0.00 64.86 63.83 2jmx h ILE 86 Cb 0.42 1.03 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 2jmx h ILE 86 CO -0.00 0.34 -0.08 -1.13 -0.68 0.00 0.00 178.15 176.60 2jmx h ASN 87 N 0.61 -0.20 -0.98 1.72 -1.24 -1.48 -1.96 115.58 112.05 2jmx h ASN 87 Ca 0.13 -0.03 0.12 0.00 0.71 0.00 0.00 56.30 57.23 2jmx h ASN 87 Cb 0.45 0.05 -0.09 0.00 0.73 0.00 0.00 38.32 39.47 2jmx h ASN 87 CO 0.02 -0.10 0.61 -0.07 -1.29 0.00 0.00 177.43 176.60 2jmx h LEU 88 N -0.28 0.88 -0.88 0.34 3.38 -1.39 0.67 115.31 118.03 2jmx h LEU 88 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2jmx h LEU 88 Cb 0.22 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2jmx h LEU 88 CO 0.04 0.46 0.52 -0.07 0.09 0.00 0.00 178.44 179.48 2jmx h LEU 89 N 0.95 1.06 -3.71 1.67 3.38 -0.82 -2.26 115.31 115.57 2jmx h LEU 89 Ca 0.49 -0.07 -0.35 0.00 0.09 0.00 0.00 57.88 58.04 2jmx h LEU 89 Cb 0.51 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 40.78 2jmx h LEU 89 CO -0.28 0.82 0.32 0.00 0.09 0.00 0.00 178.44 179.40 2jmx n ALA 90 N -2.38 4.96 -0.08 1.53 0.00 -0.14 -0.27 120.51 124.14 2jmx n ALA 90 Ca 0.09 -2.94 -0.21 0.00 0.00 0.00 0.00 53.44 50.38 2jmx n ALA 90 Cb 0.06 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.05 0.68 -1.44 0.00 2.13 0.22 -4.64 120.64 116.55 2jmx n GLU 91 Ca 0.47 0.24 0.01 0.00 0.66 0.00 0.00 57.16 58.54 2jmx n GLU 91 Cb 1.39 -1.61 0.09 0.00 0.27 0.00 0.00 31.44 31.57 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 -3.56 1.75 -1.40 4.31 3.02 -1.26 -4.97 115.26 113.15 2jmx n ASN 92 Ca -0.40 -2.84 -0.02 0.00 -0.03 0.00 0.00 54.58 51.29 2jmx n ASN 92 Cb 0.97 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.75 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 -0.33 0.42 1.45 7.41 0.00 -1.26 -4.98 105.19 107.91 2jmx n GLY 93 Ca 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.47 2.97 -1.10 1.61 5.12 0.63 -4.53 116.66 119.89 2jmx n ARG 94 Ca -0.03 -3.03 -0.18 0.00 -1.93 0.00 0.00 57.85 52.68 2jmx n ARG 94 Cb 0.52 -2.00 0.18 0.00 -1.16 0.00 0.00 32.46 29.99 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 -0.54 5.80 -0.10 0.55 4.77 -1.14 -4.10 117.00 122.24 2jmx n LEU 95 Ca 0.34 -3.75 -0.20 0.00 -0.03 0.00 0.00 56.01 52.36 2jmx n LEU 95 Cb 1.16 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 2jmx n LEU 95 CO 0.29 1.19 -1.14 0.41 -1.33 0.00 0.00 177.39 176.81 2jmx n THR 96 N -1.12 1.11 -1.36 -5.08 -1.04 -1.26 -4.52 114.28 101.00 2jmx n THR 96 Ca 0.50 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.05 61.96 2jmx n THR 96 Cb 1.36 -1.79 0.11 0.00 -1.82 0.00 0.00 70.33 68.19 2jmx n THR 96 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2jmx n ASN 97 N -3.91 6.22 0.05 8.00 3.02 -1.26 -4.66 115.26 122.72 2jmx n ASN 97 Ca -0.37 -3.74 -0.01 0.00 -0.03 0.00 0.00 54.58 50.43 2jmx n ASN 97 Cb 0.75 -0.88 0.28 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.09 1.23 -0.59 3.41 1.03 -1.79 -2.91 112.91 114.38 2jmx h THR 98 Ca 0.58 -1.05 -0.01 0.00 -0.01 0.00 0.00 66.41 65.92 2jmx h THR 98 Cb 1.44 1.24 -0.03 0.00 -1.07 0.00 0.00 68.15 69.73 2jmx h THR 98 CO 1.35 0.33 0.31 1.55 -0.01 0.00 0.00 175.52 179.05 2jmx h PRO 99 N 0.37 0.81 -0.47 0.00 0.13 -1.95 -1.15 132.00 129.74 2jmx h PRO 99 Ca 0.07 -0.08 0.04 0.00 -0.87 0.00 0.00 66.00 65.15 2jmx h PRO 99 Cb 0.52 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.46 2jmx h PRO 99 CO 0.03 0.60 0.31 0.00 -0.23 0.00 0.00 178.00 178.72 2jmx h ALA 100 N 1.53 1.85 -0.43 -0.56 0.00 -1.89 0.48 119.26 120.25 2jmx h ALA 100 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2jmx h ALA 100 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jmx h ALA 100 CO -0.03 0.08 -0.22 0.28 0.00 0.00 0.00 179.25 179.36 2jmx h VAL 101 N 0.47 1.28 -0.33 0.00 2.07 -1.28 -1.52 116.25 116.92 2jmx h VAL 101 Ca 0.20 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.23 2jmx h VAL 101 Cb 0.19 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2jmx h VAL 101 CO -0.05 0.46 -0.26 0.40 0.02 0.00 0.00 177.57 178.14 2jmx h ILE 102 N 0.73 1.29 -0.10 4.57 2.04 -1.02 -2.49 117.51 122.54 2jmx h ILE 102 Ca 0.09 -1.42 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2jmx h ILE 102 Cb 0.79 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2jmx h ILE 102 CO 0.06 0.46 0.05 -1.28 0.00 0.00 0.00 178.15 177.45 2jmx h SER 103 N 0.53 0.12 -0.73 1.72 0.87 -0.90 -2.27 113.55 112.89 2jmx h SER 103 Ca 0.06 -0.10 0.10 0.00 -1.23 0.00 0.00 61.79 60.62 2jmx h SER 103 Cb 0.83 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 2jmx h SER 103 CO 0.07 0.19 0.48 0.00 -0.53 0.00 0.00 176.83 177.03 2jmx h ALA 104 N 0.94 1.87 -0.69 6.23 0.00 -1.27 -1.40 119.26 124.94 2jmx h ALA 104 Ca 0.03 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2jmx h ALA 104 Cb 0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2jmx h ALA 104 CO -0.00 -0.03 0.40 0.35 0.00 0.00 0.00 179.25 179.97 2jmx h PHE 105 N 0.60 0.74 -0.61 0.00 3.04 -0.93 0.92 116.94 120.70 2jmx h PHE 105 Ca 0.34 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.25 2jmx h PHE 105 Cb 0.51 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 2jmx h PHE 105 CO -0.00 0.37 0.12 0.77 -2.02 0.00 0.00 178.31 177.56 2jmx h SER 106 N 0.75 0.92 -0.22 0.41 0.02 -1.12 0.28 113.55 114.59 2jmx h SER 106 Ca 0.30 -0.19 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 2jmx h SER 106 Cb 0.14 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jmx h SER 106 CO -0.16 0.90 -0.52 0.74 -1.14 0.00 0.00 176.83 176.65 2jmx h THR 107 N 0.92 1.28 -0.13 -2.27 2.02 -1.13 -2.81 112.91 110.80 2jmx h THR 107 Ca 0.19 -1.72 -0.19 0.00 0.77 0.00 0.00 66.41 65.46 2jmx h THR 107 Cb 0.36 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2jmx h THR 107 CO 0.00 0.56 -0.70 0.24 0.37 0.00 0.00 175.52 175.99 2jmx h MET 108 N 0.63 0.57 -0.90 6.66 2.86 -0.62 -3.08 114.93 121.05 2jmx h MET 108 Ca 0.02 -0.43 0.06 0.00 -2.06 0.00 0.00 59.70 57.29 2jmx h MET 108 Cb 1.11 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.80 2jmx h MET 108 CO 0.11 1.06 0.58 1.98 1.06 0.00 0.00 176.91 181.70 2jmx h MET 109 N 0.40 0.99 -0.43 1.72 -1.53 -0.38 -0.07 114.93 115.62 2jmx h MET 109 Ca -0.03 -0.06 0.08 0.00 -3.44 0.00 0.00 59.70 56.26 2jmx h MET 109 Cb 1.28 -0.22 -0.02 0.00 -0.55 0.00 0.00 31.60 32.09 2jmx h MET 109 CO 0.13 0.65 0.29 0.77 0.14 0.00 0.00 176.91 178.90 2jmx h SER 110 N 1.02 0.19 1.16 1.39 0.02 -1.40 0.76 113.55 116.68 2jmx h SER 110 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2jmx h SER 110 Cb 0.20 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2jmx h SER 110 CO -0.14 0.12 0.00 0.52 -1.14 0.00 0.00 176.83 176.19 2jmx n VAL 111 N -4.46 0.34 0.09 2.27 0.31 -0.05 -2.55 118.33 114.27 2jmx n VAL 111 Ca 0.06 -0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.33 2jmx n VAL 111 Cb 0.34 -0.59 -0.02 0.00 -0.91 0.00 0.00 33.84 32.66 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 0.01 3.52 -0.00 -0.71 -3.37 115.15 114.60 2jmx h HIS 112 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.02 2jmx h HIS 112 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.93 2jmx h HIS 112 CO 0.00 0.42 -2.16 -2.13 -0.00 0.00 0.00 177.93 174.06 2jmx n ARG 113 N -2.96 0.67 -0.30 5.12 0.63 -1.15 -4.32 116.66 114.36 2jmx n ARG 113 Ca -0.04 0.13 0.09 0.00 -0.92 0.00 0.00 57.85 57.11 2jmx n ARG 113 Cb 0.74 -1.62 0.32 0.00 0.45 0.00 0.00 32.46 32.35 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 3.36 1.37 0.69 5.14 0.00 -1.66 -1.07 103.07 110.90 2jmx h GLY 114 Ca -0.46 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 46.60 2jmx h GLY 114 CO 0.03 0.13 0.61 0.83 0.00 0.00 0.00 176.54 178.14 2jmx h GLU 115 N 0.83 0.97 -3.23 4.80 5.08 -1.75 -3.28 114.58 118.00 2jmx h GLU 115 Ca 0.46 -0.06 -0.63 0.00 -1.00 0.00 0.00 59.36 58.13 2jmx h GLU 115 Cb 0.59 -0.22 -0.41 0.00 0.50 0.00 0.00 28.75 29.20 2jmx h GLU 115 CO -0.22 0.64 -0.58 0.08 -1.00 0.00 0.00 179.01 177.92 2jmx s VAL 116 N -5.91 2.81 0.48 3.13 1.01 -0.41 -5.09 120.40 116.43 2jmx s VAL 116 Ca -0.12 -3.84 -0.21 0.00 0.00 0.00 0.00 61.98 57.81 2jmx s VAL 116 Cb 0.21 -2.89 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 2jmx s VAL 116 CO 0.80 -0.92 1.08 -2.16 0.00 0.00 0.00 175.10 173.91 2jmx s PRO 117 N -0.93 3.74 -0.03 2.72 0.04 -1.23 -4.92 135.00 134.38 2jmx s PRO 117 Ca 0.21 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 2jmx s PRO 117 Cb -0.14 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.22 2jmx s PRO 117 CO -0.09 -0.51 0.15 0.00 0.04 0.00 0.00 177.00 176.59 2jmx n THR 119 N 2.36 -8.39 -1.00 0.00 -1.04 -1.26 -5.25 114.28 99.71 2jmx n THR 119 Ca -0.17 1.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.90 2jmx n THR 119 Cb 0.57 -5.65 0.00 0.00 -1.82 0.00 0.00 70.33 63.43 2jmx n THR 119 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98