#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmd s PRO 2 N 0.00 3.01 -0.83 1.61 0.02 -1.26 -1.07 135.00 136.49 2jmd s PRO 2 Ca 0.00 2.23 -0.03 0.00 0.02 0.00 0.00 61.00 63.22 2jmd s PRO 2 Cb 0.00 -2.18 -0.01 0.00 0.02 0.00 0.00 34.50 32.33 2jmd s PRO 2 CO 0.00 -1.29 0.71 -0.11 -0.33 0.00 0.00 177.00 175.98 2jmd n LEU 3 N -1.20 -5.33 0.00 -5.54 7.94 -1.26 -4.65 117.00 106.96 2jmd n LEU 3 Ca 0.11 -0.41 0.00 0.00 -1.11 0.00 0.00 56.01 54.61 2jmd n LEU 3 Cb 0.45 -2.88 0.00 0.00 0.53 0.00 0.00 43.42 41.52 2jmd n LEU 3 CO 0.52 -0.55 0.00 0.61 -1.11 0.00 0.00 177.39 176.86 2jmd n GLY 4 N -1.68 -0.30 0.29 -3.96 0.00 -1.25 -4.93 105.19 93.35 2jmd n GLY 4 Ca -0.08 0.14 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 2jmd n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jmd h SER 5 N 0.00 0.91 -3.34 1.61 0.87 -1.74 -3.40 113.55 108.46 2jmd h SER 5 Ca 0.00 -0.15 -0.59 0.00 -1.23 0.00 0.00 61.79 59.82 2jmd h SER 5 Cb 0.00 -0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 61.64 2jmd h SER 5 CO 0.00 0.80 0.32 -0.75 -0.53 0.00 0.00 176.83 176.68 2jmd s LYS 6 N -5.64 4.24 -0.71 2.24 2.47 -0.23 -4.98 119.74 117.13 2jmd s LYS 6 Ca -0.13 0.87 -0.27 0.00 -1.56 0.00 0.00 55.97 54.88 2jmd s LYS 6 Cb 0.14 -3.59 0.03 0.00 -1.46 0.00 0.00 37.83 32.95 2jmd s LYS 6 CO 0.80 -0.34 1.29 0.71 0.16 0.00 0.00 175.35 177.97 2jmd s TYR 7 N 2.23 2.31 -0.28 4.03 2.02 -1.26 -4.40 117.35 121.99 2jmd s TYR 7 Ca 0.34 0.04 -0.22 0.00 -0.37 0.00 0.00 57.07 56.86 2jmd s TYR 7 Cb -0.16 -4.60 0.11 0.00 -0.40 0.00 0.00 41.96 36.91 2jmd s TYR 7 CO 0.11 -2.02 0.88 -2.00 -1.57 0.00 0.00 175.55 170.94 2jmd s GLU 8 N 5.67 0.61 -0.31 -0.62 2.12 -1.26 -4.29 118.70 120.61 2jmd s GLU 8 Ca 0.37 0.83 -0.29 0.00 0.36 0.00 0.00 54.97 56.24 2jmd s GLU 8 Cb -0.08 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.55 2jmd s GLU 8 CO 0.17 -0.09 1.31 0.00 -0.54 0.00 0.00 175.26 176.10 2jmd h PRO 10 N 9.37 0.00 -0.29 0.00 0.13 -1.90 0.11 132.00 139.42 2jmd h PRO 10 Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 2jmd h PRO 10 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2jmd h PRO 10 CO 1.04 0.00 -0.11 0.82 -0.23 0.00 0.00 178.00 179.52 2jmd h ILE 11 N 0.00 1.29 0.00 -3.56 2.04 -1.93 -3.35 117.51 112.01 2jmd h ILE 11 Ca 0.00 -1.18 -0.17 0.00 1.00 0.00 0.00 64.86 64.52 2jmd h ILE 11 Cb 0.34 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2jmd h ILE 11 CO 0.00 0.37 -2.16 0.00 0.00 0.00 0.00 178.15 176.36 2jmd n LEU 13 N -2.48 -1.25 0.00 0.00 4.32 0.36 -4.90 117.00 113.05 2jmd n LEU 13 Ca -0.17 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 2jmd n LEU 13 Cb 0.83 -2.28 0.00 0.00 -1.62 0.00 0.00 43.42 40.35 2jmd n LEU 13 CO 0.44 -0.70 0.00 0.23 -1.22 0.00 0.00 177.39 176.15 2jmd n MET 14 N -2.54 0.00 -1.59 3.23 2.81 -1.26 -5.00 117.12 112.78 2jmd n MET 14 Ca -0.16 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 2jmd n MET 14 Cb 0.54 -0.58 0.00 0.00 -0.71 0.00 0.00 33.22 32.47 2jmd n MET 14 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jmd n ALA 15 N -2.39 0.00 -2.84 3.04 0.00 -1.26 -4.86 120.51 112.19 2jmd n ALA 15 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2jmd n ALA 15 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2jmd n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jmd s LEU 16 N 0.00 3.74 -0.04 0.00 1.43 -1.26 -2.13 118.68 120.41 2jmd s LEU 16 Ca 0.00 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2jmd s LEU 16 Cb 0.00 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 2jmd s LEU 16 CO 0.00 0.01 -0.03 -0.09 0.23 0.00 0.00 176.35 176.47 2jmd h ARG 17 N 7.95 0.00 0.00 1.70 9.65 -1.96 -3.40 114.38 128.32 2jmd h ARG 17 Ca -0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 2jmd h ARG 17 Cb 1.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2jmd h ARG 17 CO 0.60 0.00 -0.65 0.93 2.80 0.00 0.00 179.97 183.65 2jmd h GLU 18 N -0.36 0.00 -6.09 0.20 3.07 -1.93 -3.49 114.58 105.98 2jmd h GLU 18 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.45 2jmd h GLU 18 Cb 0.08 0.00 0.08 0.00 -0.84 0.00 0.00 28.75 28.08 2jmd h GLU 18 CO 0.00 0.00 -0.89 0.00 -1.40 0.00 0.00 179.01 176.72 2jmd n ALA 19 N -1.88 -2.35 -2.64 3.43 0.00 -1.24 -4.54 120.51 111.30 2jmd n ALA 19 Ca 0.03 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 2jmd n ALA 19 Cb 0.45 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 16.32 2jmd n ALA 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jmd s VAL 20 N -3.56 4.55 0.02 0.00 -7.23 0.32 -4.41 120.40 110.10 2jmd s VAL 20 Ca 0.30 1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 61.85 2jmd s VAL 20 Cb -0.09 -4.38 -0.04 0.00 0.56 0.00 0.00 36.38 32.43 2jmd s VAL 20 CO 0.83 -0.45 0.91 -1.58 -0.31 0.00 0.00 175.10 174.51 2jmd s GLN 21 N 3.55 4.57 0.53 4.82 0.74 0.46 -2.03 119.66 132.31 2jmd s GLN 21 Ca 0.44 1.32 -0.09 0.00 0.05 0.00 0.00 55.36 57.08 2jmd s GLN 21 Cb -0.12 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 2jmd s GLN 21 CO 0.15 0.06 0.89 0.95 -0.55 0.00 0.00 175.29 176.79 2jmd s THR 22 N 0.64 4.80 0.56 -0.34 -4.23 0.11 -0.06 115.64 117.12 2jmd s THR 22 Ca 0.47 0.57 0.32 0.00 -1.18 0.00 0.00 61.69 61.87 2jmd s THR 22 Cb -0.21 -3.85 0.36 0.00 1.34 0.00 0.00 72.50 70.14 2jmd s THR 22 CO 0.27 -0.93 2.23 1.55 -0.54 0.00 0.00 174.62 177.20 2jmd h PRO 23 N 0.14 0.00 0.00 3.99 0.13 -1.89 -0.29 132.00 134.08 2jmd h PRO 23 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jmd h PRO 23 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jmd h PRO 23 CO 0.62 0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 2jmd n GLY 25 N 0.82 1.50 3.40 0.00 0.00 -0.12 -5.11 105.19 105.68 2jmd n GLY 25 Ca 0.04 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2jmd n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jmd s HIS 26 N -2.04 2.31 -0.02 1.61 3.76 -1.25 -4.90 115.29 114.76 2jmd s HIS 26 Ca 0.00 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 2jmd s HIS 26 Cb 0.00 -1.23 -0.02 0.00 1.11 0.00 0.00 32.58 32.44 2jmd s HIS 26 CO 0.00 0.37 -0.23 1.03 -0.85 0.00 0.00 174.74 175.06 2jmd s ARG 27 N -2.17 1.90 0.24 1.40 0.52 -1.26 0.07 118.95 119.65 2jmd s ARG 27 Ca 0.15 -0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 2jmd s ARG 27 Cb -0.10 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 2jmd s ARG 27 CO 0.07 0.49 0.25 -0.06 0.02 0.00 0.00 175.30 176.07 2jmd s PHE 28 N -0.52 1.09 0.42 -0.53 0.08 -0.86 -4.43 117.98 113.23 2jmd s PHE 28 Ca 0.08 -1.29 -0.13 0.00 0.12 0.00 0.00 56.93 55.71 2jmd s PHE 28 Cb -0.09 -0.40 -0.07 0.00 -0.57 0.00 0.00 43.02 41.88 2jmd s PHE 28 CO -0.01 -0.78 0.83 0.00 -0.10 0.00 0.00 175.22 175.17 2jmd n LYS 30 N -1.19 0.16 -0.02 0.00 4.81 -1.26 -1.57 118.16 119.09 2jmd n LYS 30 Ca 0.04 0.43 0.04 0.00 -0.87 0.00 0.00 58.31 57.95 2jmd n LYS 30 Cb 0.54 -1.84 0.05 0.00 0.02 0.00 0.00 35.03 33.80 2jmd n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jmd n ALA 31 N -1.74 2.44 -0.10 3.14 0.00 -1.26 -3.65 120.51 119.34 2jmd n ALA 31 Ca 0.02 -0.64 -0.14 0.00 0.00 0.00 0.00 53.44 52.68 2jmd n ALA 31 Cb 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 2jmd n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmd h ILE 33 N -1.00 1.27 -0.67 0.00 6.09 -1.52 -2.46 117.51 119.23 2jmd h ILE 33 Ca -0.20 -1.15 -0.04 0.00 -1.37 0.00 0.00 64.86 62.10 2jmd h ILE 33 Cb 1.04 1.06 -0.03 0.00 0.47 0.00 0.00 36.82 39.36 2jmd h ILE 33 CO -0.12 0.40 0.26 0.40 -3.07 0.00 0.00 178.15 176.01 2jmd h ILE 34 N 0.71 1.24 0.00 2.19 2.04 -1.77 -1.16 117.51 120.77 2jmd h ILE 34 Ca 0.13 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2jmd h ILE 34 Cb 0.58 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 2jmd h ILE 34 CO 0.03 0.31 0.00 1.17 0.00 0.00 0.00 178.15 179.66 2jmd n LYS 35 N -4.38 0.63 -0.01 2.37 3.00 -1.14 -1.92 118.16 116.71 2jmd n LYS 35 Ca 0.05 0.02 0.07 0.00 -0.00 0.00 0.00 58.31 58.45 2jmd n LYS 35 Cb 0.18 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.61 2jmd n LYS 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jmd n SER 36 N -1.14 1.49 -0.00 3.14 7.64 -0.67 -4.61 113.62 119.48 2jmd n SER 36 Ca 0.17 -0.19 0.07 0.00 1.01 0.00 0.00 58.87 59.93 2jmd n SER 36 Cb 0.15 1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 64.77 2jmd n SER 36 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2jmd n ILE 37 N -1.84 0.00 0.91 0.44 -5.35 -0.53 -3.76 119.36 109.23 2jmd n ILE 37 Ca -0.01 -0.19 0.11 0.00 -0.27 0.00 0.00 62.75 62.38 2jmd n ILE 37 Cb 0.34 0.86 0.04 0.00 -1.74 0.00 0.00 39.64 39.14 2jmd n ILE 37 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2jmd n ARG 38 N -1.45 0.06 -0.03 6.28 1.85 -0.81 -2.97 116.66 119.59 2jmd n ARG 38 Ca 0.02 -0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.81 2jmd n ARG 38 Cb 0.25 -1.52 -0.02 0.00 -1.05 0.00 0.00 32.46 30.12 2jmd n ARG 38 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2jmd n ASP 39 N -1.59 1.72 0.00 2.89 5.75 -1.26 -4.89 116.55 119.17 2jmd n ASP 39 Ca 0.04 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 2jmd n ASP 39 Cb 0.35 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 2jmd n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jmd n ALA 40 N -3.02 -0.03 -3.51 2.12 0.00 -1.25 -5.05 120.51 109.77 2jmd n ALA 40 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2jmd n ALA 40 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 2jmd n ALA 40 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jmd s GLY 41 N -1.18 -0.44 -1.43 0.00 0.00 -1.25 -5.04 107.32 97.98 2jmd s GLY 41 Ca 0.00 1.15 -0.11 0.00 0.00 0.00 0.00 44.72 45.76 2jmd s GLY 41 CO 0.00 0.43 2.27 1.42 0.00 0.00 0.00 173.10 177.22 2jmd n HIS 42 N -0.10 3.10 -3.91 1.90 8.25 -1.16 -4.09 115.22 119.21 2jmd n HIS 42 Ca -0.09 -2.93 -0.10 0.00 -0.26 0.00 0.00 57.72 54.34 2jmd n HIS 42 Cb 0.61 -2.31 -0.10 0.00 1.12 0.00 0.00 29.99 29.31 2jmd n HIS 42 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2jmd s LYS 43 N 1.85 0.45 -0.15 -0.41 -2.85 -1.26 -0.51 119.74 116.86 2jmd s LYS 43 Ca 0.49 -0.52 -0.26 0.00 -1.00 0.00 0.00 55.97 54.68 2jmd s LYS 43 Cb 0.14 0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 36.07 2jmd s LYS 43 CO -0.06 -0.10 0.88 0.00 0.10 0.00 0.00 175.35 176.17 2jmd h PRO 45 N 7.24 0.00 -0.18 0.00 0.13 -1.96 0.21 132.00 137.44 2jmd h PRO 45 Ca -0.30 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2jmd h PRO 45 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jmd h PRO 45 CO 0.84 0.07 -0.17 -0.39 -0.23 0.00 0.00 178.00 178.13 2jmd h VAL 46 N 0.00 1.33 0.00 1.56 -1.51 -1.98 -3.36 116.25 112.29 2jmd h VAL 46 Ca -0.00 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 2jmd h VAL 46 Cb 0.15 1.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 2jmd h VAL 46 CO 0.01 0.40 0.00 -0.90 -1.23 0.00 0.00 177.57 175.84 2jmd n ASP 47 N -4.50 1.54 -2.82 4.19 5.75 -1.12 -5.01 116.55 114.59 2jmd n ASP 47 Ca -0.05 -1.55 -0.21 0.00 -0.01 0.00 0.00 54.79 52.96 2jmd n ASP 47 Cb 0.38 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 2jmd n ASP 47 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2jmd n ASN 48 N -0.28 -5.61 -4.88 -1.12 3.02 0.72 -4.98 115.26 102.13 2jmd n ASN 48 Ca 0.00 -0.17 -0.34 0.00 -0.03 0.00 0.00 54.58 54.04 2jmd n ASN 48 Cb 0.14 -4.60 -0.05 0.00 -0.61 0.00 0.00 39.78 34.66 2jmd n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2jmd s GLU 49 N -5.48 3.67 -0.03 3.52 0.41 -1.24 -4.84 118.70 114.72 2jmd s GLU 49 Ca 0.19 0.03 -0.30 0.00 -0.41 0.00 0.00 54.97 54.48 2jmd s GLU 49 Cb -0.09 -2.99 -0.06 0.00 -1.78 0.00 0.00 34.13 29.21 2jmd s GLU 49 CO 0.24 0.56 1.69 0.42 -0.49 0.00 0.00 175.26 177.68 2jmd s ILE 50 N -1.43 3.45 -0.12 -1.63 -1.09 -1.26 -0.83 121.20 118.29 2jmd s ILE 50 Ca 0.33 0.60 0.03 0.00 -2.23 0.00 0.00 60.65 59.38 2jmd s ILE 50 Cb -0.13 -3.39 0.01 0.00 -1.58 0.00 0.00 42.46 37.37 2jmd s ILE 50 CO 0.19 -0.05 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.43 2jmd s LEU 51 N 3.88 1.99 0.08 2.97 1.98 0.33 -4.87 118.68 125.03 2jmd s LEU 51 Ca 0.75 -0.53 0.05 0.00 -2.89 0.00 0.00 54.13 51.51 2jmd s LEU 51 Cb -0.35 -1.31 -0.04 0.00 0.66 0.00 0.00 46.19 45.14 2jmd s LEU 51 CO 0.31 0.08 -0.05 -0.76 -1.89 0.00 0.00 176.35 174.05 2jmd s LEU 52 N 0.72 3.27 0.18 -0.68 2.01 -1.26 -4.17 118.68 118.74 2jmd s LEU 52 Ca -0.11 -0.24 -0.10 0.00 0.01 0.00 0.00 54.13 53.70 2jmd s LEU 52 Cb -0.16 -2.00 0.07 0.00 0.01 0.00 0.00 46.19 44.11 2jmd s LEU 52 CO 0.01 0.20 1.67 -0.33 1.01 0.00 0.00 176.35 178.92 2jmd h GLU 53 N 3.72 1.01 -0.01 1.70 5.08 -1.99 -2.62 114.58 121.48 2jmd h GLU 53 Ca -0.48 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 2jmd h GLU 53 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2jmd h GLU 53 CO 0.56 0.94 -0.02 0.09 -1.00 0.00 0.00 179.01 179.58 2jmd n ASN 54 N -4.29 1.02 -0.08 1.42 4.13 -1.26 -3.07 115.26 113.14 2jmd n ASN 54 Ca 0.03 -1.28 0.13 0.00 1.68 0.00 0.00 54.58 55.15 2jmd n ASN 54 Cb 0.27 0.00 0.41 0.00 -1.54 0.00 0.00 39.78 38.93 2jmd n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jmd n GLN 55 N -0.24 0.32 -2.43 3.52 6.02 -0.99 -4.89 117.38 118.69 2jmd n GLN 55 Ca 0.20 -0.15 -0.40 0.00 -0.01 0.00 0.00 57.00 56.64 2jmd n GLN 55 Cb 0.29 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.01 2jmd n GLN 55 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jmd s LEU 56 N -2.79 4.47 -0.53 1.08 1.43 -1.18 -4.21 118.68 116.97 2jmd s LEU 56 Ca 0.18 2.29 -0.02 0.00 -1.03 0.00 0.00 54.13 55.55 2jmd s LEU 56 Cb 0.19 -3.71 0.14 0.00 0.03 0.00 0.00 46.19 42.83 2jmd s LEU 56 CO 0.59 -0.25 0.33 -0.36 0.23 0.00 0.00 176.35 176.89 2jmd s PHE 57 N -1.23 3.48 0.24 0.29 0.08 0.92 -4.88 117.98 116.87 2jmd s PHE 57 Ca 0.47 -2.62 -0.06 0.00 0.12 0.00 0.00 56.93 54.84 2jmd s PHE 57 Cb -0.32 -3.19 0.32 0.00 -0.57 0.00 0.00 43.02 39.26 2jmd s PHE 57 CO 0.41 -0.89 1.85 -1.35 -0.10 0.00 0.00 175.22 175.13 2jmd h PRO 58 N 7.43 0.92 -2.69 0.24 0.11 -1.81 0.13 132.00 136.34 2jmd h PRO 58 Ca -0.07 -0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.46 2jmd h PRO 58 Cb 0.99 -0.21 -0.39 0.00 0.11 0.00 0.00 31.00 31.50 2jmd h PRO 58 CO 0.70 0.61 -0.79 0.34 -0.21 0.00 0.00 178.00 178.65 2jmd s ASP 59 N -5.76 3.25 0.00 -2.05 2.15 -1.26 -4.42 116.67 108.57 2jmd s ASP 59 Ca -0.13 -1.54 0.10 0.00 0.43 0.00 0.00 52.55 51.42 2jmd s ASP 59 Cb 0.18 -0.31 0.15 0.00 -0.30 0.00 0.00 42.92 42.64 2jmd s ASP 59 CO 0.79 -0.40 0.96 -0.46 -0.17 0.00 0.00 175.17 175.89 2jmd n ASN 60 N 4.88 2.18 -4.10 -0.34 6.94 -1.26 -4.88 115.26 118.68 2jmd n ASN 60 Ca -0.00 -1.62 -0.33 0.00 -0.02 0.00 0.00 54.58 52.61 2jmd n ASN 60 Cb 0.41 -0.07 -0.14 0.00 -2.36 0.00 0.00 39.78 37.62 2jmd n ASN 60 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2jmd s PHE 61 N -0.89 3.47 0.19 -2.53 0.08 -1.26 -5.06 117.98 111.98 2jmd s PHE 61 Ca 0.15 -2.39 -0.24 0.00 0.12 0.00 0.00 56.93 54.57 2jmd s PHE 61 Cb 0.09 -2.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.07 2jmd s PHE 61 CO 0.13 -0.90 0.88 0.00 -0.10 0.00 0.00 175.22 175.24 2jmd s ALA 62 N 1.10 -1.51 -1.09 5.36 0.00 -1.26 -5.24 121.76 119.12 2jmd s ALA 62 Ca 0.01 -0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.05 2jmd s ALA 62 Cb -0.20 0.71 0.07 0.00 0.00 0.00 0.00 23.12 23.69 2jmd s ALA 62 CO -0.04 -1.04 0.78 0.36 0.00 0.00 0.00 175.76 175.81