#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpf h GLN 2 N 0.00 0.03 -6.30 1.97 4.20 -2.13 -3.46 115.11 109.42 2jpf h GLN 2 Ca 0.00 -0.05 -0.56 0.00 0.06 0.00 0.00 58.65 58.10 2jpf h GLN 2 Cb 0.00 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2jpf h GLN 2 CO 0.00 1.02 -0.04 -0.65 -0.67 0.00 0.00 178.83 178.49 2jpf s GLN 3 N -2.30 4.12 0.41 1.46 -1.52 -1.26 -5.09 119.66 115.49 2jpf s GLN 3 Ca -0.22 0.66 0.02 0.00 -1.95 0.00 0.00 55.36 53.87 2jpf s GLN 3 Cb 0.01 -3.09 -0.01 0.00 -0.22 0.00 0.00 33.01 29.70 2jpf s GLN 3 CO 0.67 0.56 0.60 -0.51 -0.25 0.00 0.00 175.29 176.35 2jpf s LEU 4 N -1.51 3.77 0.64 2.90 2.01 -1.26 -5.06 118.68 120.18 2jpf s LEU 4 Ca 0.34 0.16 -0.17 0.00 0.01 0.00 0.00 54.13 54.46 2jpf s LEU 4 Cb -0.18 -3.05 -0.05 0.00 0.01 0.00 0.00 46.19 42.93 2jpf s LEU 4 CO 0.19 -0.59 0.69 0.00 1.01 0.00 0.00 176.35 177.66 2jpf n GLN 5 N -1.93 0.54 -0.57 1.70 6.02 -1.26 -4.96 117.38 116.93 2jpf n GLN 5 Ca 0.00 0.22 -0.30 0.00 -0.01 0.00 0.00 57.00 56.92 2jpf n GLN 5 Cb 0.58 -1.93 0.27 0.00 1.02 0.00 0.00 30.24 30.18 2jpf n GLN 5 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jpf s GLU 6 N -2.62 -1.98 -0.40 -1.09 2.02 -1.26 -4.97 118.70 108.40 2jpf s GLU 6 Ca 0.71 0.31 -0.16 0.00 0.02 0.00 0.00 54.97 55.84 2jpf s GLU 6 Cb -0.40 -1.47 0.01 0.00 0.10 0.00 0.00 34.13 32.38 2jpf s GLU 6 CO 0.53 -4.29 0.40 -1.01 0.02 0.00 0.00 175.26 170.90 2jpf s HIS 7 N -2.47 3.19 0.02 1.61 3.76 -1.26 -5.06 115.29 115.08 2jpf s HIS 7 Ca 0.69 -0.34 0.05 0.00 -0.15 0.00 0.00 55.06 55.30 2jpf s HIS 7 Cb -0.16 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 2jpf s HIS 7 CO 0.60 -0.63 -0.14 0.00 -0.85 0.00 0.00 174.74 173.72 2jpf s ALA 8 N 2.03 1.15 -0.01 -1.40 0.00 -1.26 -5.06 121.76 117.20 2jpf s ALA 8 Ca 0.11 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 2jpf s ALA 8 Cb -0.17 -0.21 -0.20 0.00 0.00 0.00 0.00 23.12 22.54 2jpf s ALA 8 CO 0.13 0.24 1.28 -1.00 0.00 0.00 0.00 175.76 176.40 2jpf h PRO 9 N 5.20 0.04 -4.93 0.00 0.13 -2.00 -3.47 132.00 126.97 2jpf h PRO 9 Ca -0.37 -0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.36 2jpf h PRO 9 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2jpf h PRO 9 CO 0.45 0.52 -0.55 0.45 -0.23 0.00 0.00 178.00 178.64 2jpf n SER 10 N -4.82 -4.62 -4.58 1.44 2.88 -1.26 -4.55 113.62 98.12 2jpf n SER 10 Ca -0.08 -0.30 -0.41 0.00 -1.33 0.00 0.00 58.87 56.75 2jpf n SER 10 Cb 0.26 -3.79 -0.03 0.00 -0.75 0.00 0.00 64.21 59.90 2jpf n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpf n HIS 11 N -4.09 1.77 -3.82 0.66 1.44 -1.26 -4.70 115.22 105.21 2jpf n HIS 11 Ca -0.06 -0.03 -0.09 0.00 -2.01 0.00 0.00 57.72 55.53 2jpf n HIS 11 Cb 0.58 -2.69 -0.03 0.00 0.12 0.00 0.00 29.99 27.96 2jpf n HIS 11 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2jpf s ALA 12 N 9.59 -0.90 0.06 1.59 0.00 -1.19 -5.07 121.76 125.84 2jpf s ALA 12 Ca 1.01 -0.37 -0.34 0.00 0.00 0.00 0.00 51.96 52.26 2jpf s ALA 12 Cb -0.31 0.90 -0.13 0.00 0.00 0.00 0.00 23.12 23.59 2jpf s ALA 12 CO 0.33 -0.89 1.69 0.09 0.00 0.00 0.00 175.76 176.98 2jpf n ASN 13 N -0.39 3.19 -3.17 0.00 3.02 -1.26 -1.16 115.26 115.49 2jpf n ASN 13 Ca -0.06 1.04 -0.22 0.00 -0.03 0.00 0.00 54.58 55.31 2jpf n ASN 13 Cb 0.61 -1.40 0.06 0.00 -0.61 0.00 0.00 39.78 38.44 2jpf n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2jpf n LEU 14 N 4.65 -3.04 -3.34 3.41 4.32 -1.26 -4.99 117.00 116.76 2jpf n LEU 14 Ca 0.19 -0.41 -0.08 0.00 -0.02 0.00 0.00 56.01 55.69 2jpf n LEU 14 Cb 0.29 -2.85 -0.07 0.00 -1.62 0.00 0.00 43.42 39.16 2jpf n LEU 14 CO 0.67 0.46 -0.04 -0.62 -1.22 0.00 0.00 177.39 176.64 2jpf s ASP 15 N -3.07 0.14 0.29 -1.43 -1.08 -0.31 -5.10 116.67 106.11 2jpf s ASP 15 Ca 0.45 0.25 0.03 0.00 -0.52 0.00 0.00 52.55 52.75 2jpf s ASP 15 Cb -0.20 1.18 -0.06 0.00 -1.46 0.00 0.00 42.92 42.39 2jpf s ASP 15 CO 0.55 -0.30 0.06 0.68 0.52 0.00 0.00 175.17 176.68 2jpf s VAL 16 N 2.57 0.96 1.00 1.11 -7.23 -1.26 -3.20 120.40 114.35 2jpf s VAL 16 Ca 0.13 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 2jpf s VAL 16 Cb -0.15 -2.67 0.21 0.00 0.56 0.00 0.00 36.38 34.32 2jpf s VAL 16 CO -0.17 -0.05 1.25 -0.54 -0.31 0.00 0.00 175.10 175.29 2jpf s LYS 17 N -3.93 0.33 1.10 4.82 1.02 -1.26 -5.03 119.74 116.79 2jpf s LYS 17 Ca 0.36 -0.25 -0.16 0.00 0.02 0.00 0.00 55.97 55.93 2jpf s LYS 17 Cb 0.08 -1.80 0.20 0.00 -0.52 0.00 0.00 37.83 35.79 2jpf s LYS 17 CO 0.14 -2.65 0.37 0.91 -0.92 0.00 0.00 175.35 173.20 2jpf n TRP 18 N -3.97 -2.41 -0.08 3.18 8.01 -1.26 -4.81 117.44 116.10 2jpf n TRP 18 Ca 0.14 -0.12 -0.02 0.00 -1.31 0.00 0.00 57.50 56.19 2jpf n TRP 18 Cb 0.60 -1.41 -0.02 0.00 -2.01 0.00 0.00 31.31 28.46 2jpf n TRP 18 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.69 176.57 2jpf n LEU 19 N -2.12 -0.21 -4.86 -0.99 7.94 -1.26 -4.62 117.00 110.89 2jpf n LEU 19 Ca 0.06 0.90 -0.28 0.00 -1.11 0.00 0.00 56.01 55.58 2jpf n LEU 19 Cb 0.44 -0.32 -0.03 0.00 0.53 0.00 0.00 43.42 44.04 2jpf n LEU 19 CO 0.32 -0.56 -0.04 -0.62 -1.11 0.00 0.00 177.39 175.38 2jpf s ASP 20 N -3.62 4.50 0.00 1.96 2.15 -1.26 -4.84 116.67 115.56 2jpf s ASP 20 Ca -0.02 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.62 2jpf s ASP 20 Cb 0.02 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.02 2jpf s ASP 20 CO 0.12 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 2jpf n GLY 21 N -1.60 0.65 2.83 2.66 0.00 -1.26 -5.00 105.19 103.46 2jpf n GLY 21 Ca -0.06 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2jpf n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpf s LEU 22 N -0.48 1.93 -0.23 0.99 1.02 -1.26 -4.89 118.68 115.77 2jpf s LEU 22 Ca 0.00 -1.07 0.10 0.00 0.02 0.00 0.00 54.13 53.18 2jpf s LEU 22 Cb 0.00 -0.89 -0.21 0.00 0.02 0.00 0.00 46.19 45.11 2jpf s LEU 22 CO 0.00 -0.29 -0.07 0.54 0.02 0.00 0.00 176.35 176.55 2jpf n ARG 23 N 4.86 0.68 -0.11 1.70 1.74 -1.26 -4.61 116.66 119.65 2jpf n ARG 23 Ca -0.09 0.07 -0.04 0.00 -0.77 0.00 0.00 57.85 57.01 2jpf n ARG 23 Cb 0.45 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 2jpf n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jpf h ALA 24 N 0.52 -0.28 0.00 7.54 0.00 -2.05 -3.46 119.26 121.53 2jpf h ALA 24 Ca -0.56 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jpf h ALA 24 Cb 2.08 1.04 0.00 0.00 0.00 0.00 0.00 17.79 20.90 2jpf h ALA 24 CO -0.03 -0.40 0.00 0.41 0.00 0.00 0.00 179.25 179.23 2jpf n GLY 25 N -1.10 -0.31 0.42 0.00 0.00 -1.26 -5.05 105.19 97.89 2jpf n GLY 25 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2jpf n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jpf n SER 26 N 0.00 2.68 -2.01 1.61 3.41 -1.26 -4.97 113.62 113.08 2jpf n SER 26 Ca 0.00 -2.15 -0.15 0.00 -0.26 0.00 0.00 58.87 56.30 2jpf n SER 26 Cb 0.00 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 63.77 2jpf n SER 26 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2jpf n MET 27 N -0.02 -2.60 -0.43 4.33 2.81 -1.26 -4.42 117.12 115.53 2jpf n MET 27 Ca 0.09 0.68 0.34 0.00 -1.81 0.00 0.00 57.70 57.00 2jpf n MET 27 Cb 0.42 -5.00 0.54 0.00 -0.71 0.00 0.00 33.22 28.48 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jpf n ALA 28 N -2.53 1.19 -0.30 3.04 0.00 -1.26 0.05 120.51 120.70 2jpf n ALA 28 Ca -0.12 0.54 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 2jpf n ALA 28 Cb 0.61 -0.79 0.04 0.00 0.00 0.00 0.00 19.45 19.31 2jpf n ALA 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jpf h LEU 29 N 0.00 -1.21 0.00 0.00 5.85 -1.96 -3.18 115.31 114.81 2jpf h LEU 29 Ca 0.66 0.27 -0.05 0.00 0.84 0.00 0.00 57.88 59.60 2jpf h LEU 29 Cb 2.40 0.65 -0.01 0.00 0.37 0.00 0.00 40.66 44.07 2jpf h LEU 29 CO -0.16 -0.29 -1.20 0.00 -0.34 0.00 0.00 178.44 176.45 2jpf n GLN 30 N -5.48 3.29 -0.61 1.25 6.02 0.11 -4.66 117.38 117.31 2jpf n GLN 30 Ca 0.09 -0.00 0.48 0.00 -0.01 0.00 0.00 57.00 57.55 2jpf n GLN 30 Cb 0.39 -1.08 0.79 0.00 1.02 0.00 0.00 30.24 31.36 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2jpf h GLY 31 N 0.59 0.23 0.74 1.08 0.00 -0.55 0.52 103.07 105.68 2jpf h GLY 31 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 2jpf h GLY 31 CO 0.00 -0.07 -0.43 1.29 0.00 0.00 0.00 176.54 177.33 2jpf h ASP 32 N 0.01 -1.11 0.11 0.19 2.03 -1.77 -2.47 116.42 113.41 2jpf h ASP 32 Ca 0.87 0.07 -0.22 0.00 -0.73 0.00 0.00 57.03 57.02 2jpf h ASP 32 Cb 3.36 0.34 0.01 0.00 -0.83 0.00 0.00 39.33 42.21 2jpf h ASP 32 CO -0.08 -0.64 -1.06 0.58 -1.03 0.00 0.00 179.24 177.01 2jpf h VAL 33 N -0.99 1.28 -1.20 4.15 2.07 -1.11 -3.06 116.25 117.37 2jpf h VAL 33 Ca -0.07 -2.44 0.40 0.00 0.82 0.00 0.00 66.70 65.41 2jpf h VAL 33 Cb 0.82 2.94 -0.14 0.00 -1.52 0.00 0.00 31.29 33.40 2jpf h VAL 33 CO 0.04 0.68 0.75 0.50 0.02 0.00 0.00 177.57 179.56 2jpf h LYS 34 N -0.42 0.13 0.00 1.57 3.64 -0.20 1.69 116.57 122.99 2jpf h LYS 34 Ca -0.22 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2jpf h LYS 34 Cb 1.64 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2jpf h LYS 34 CO 0.08 0.09 -0.98 1.33 -2.27 0.00 0.00 179.45 177.70 2jpf n VAL 35 N -4.82 0.58 -0.51 2.00 0.24 -0.93 -4.13 118.33 110.77 2jpf n VAL 35 Ca 0.35 -0.52 0.41 0.00 -2.04 0.00 0.00 64.34 62.55 2jpf n VAL 35 Cb 1.30 -0.30 0.72 0.00 -1.47 0.00 0.00 33.84 34.08 2jpf n VAL 35 CO 0.00 0.00 0.00 -0.25 -2.14 0.00 0.00 176.83 174.44 2jpf h TRP 36 N 0.00 0.28 0.00 6.34 2.91 0.27 0.37 115.95 126.12 2jpf h TRP 36 Ca 0.00 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 2jpf h TRP 36 Cb 0.97 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 2jpf h TRP 36 CO 0.00 -0.10 -0.29 0.00 -1.03 0.00 0.00 178.44 177.02 2jpf h MET 37 N 0.06 0.00 -0.50 2.65 -0.00 -1.71 -3.29 114.93 112.14 2jpf h MET 37 Ca 0.81 0.00 0.15 0.00 -0.00 0.00 0.00 59.70 60.66 2jpf h MET 37 Cb 2.87 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 34.45 2jpf h MET 37 CO -0.22 0.65 0.41 -0.56 -0.00 0.00 0.00 176.91 177.19 2jpf h GLN 38 N -1.00 0.00 -0.10 -0.10 -0.00 -1.10 0.18 115.11 112.99 2jpf h GLN 38 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 2jpf h GLN 38 Cb 0.76 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.24 2jpf h GLN 38 CO -0.04 0.00 -0.00 -0.91 -0.00 0.00 0.00 178.83 177.88 2jpf h ASN 39 N 0.00 0.18 -0.01 0.06 -0.26 -0.49 -2.82 115.58 112.24 2jpf h ASN 39 Ca 0.24 -0.32 -0.03 0.00 -0.56 0.00 0.00 56.30 55.63 2jpf h ASN 39 Cb 1.05 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.26 2jpf h ASN 39 CO -0.00 0.46 -0.11 -0.07 -1.06 0.00 0.00 177.43 176.65 2jpf h LEU 40 N -0.10 0.11 -1.15 1.61 3.38 -1.25 -2.59 115.31 115.32 2jpf h LEU 40 Ca 0.03 -0.71 0.34 0.00 0.09 0.00 0.00 57.88 57.63 2jpf h LEU 40 Cb 0.37 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.95 2jpf h LEU 40 CO 0.01 0.81 0.65 -0.08 0.09 0.00 0.00 178.44 179.92 2jpf h GLU 41 N -0.57 0.26 0.00 1.13 4.81 -0.79 1.67 114.58 121.09 2jpf h GLU 41 Ca -0.01 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 2jpf h GLU 41 Cb 0.81 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2jpf h GLU 41 CO 0.02 0.18 -0.57 0.22 -0.73 0.00 0.00 179.01 178.13 2jpf h ASP 42 N 0.27 0.00 0.00 1.04 3.58 -1.52 -3.31 116.42 116.48 2jpf h ASP 42 Ca 0.74 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 58.18 2jpf h ASP 42 Cb 1.87 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.92 2jpf h ASP 42 CO -0.52 0.21 -0.31 0.25 -2.88 0.00 0.00 179.24 175.99 2jpf h LEU 43 N 0.00 0.00 -1.00 2.28 7.12 0.23 -3.37 115.31 120.57 2jpf h LEU 43 Ca -0.02 -0.03 0.40 0.00 0.13 0.00 0.00 57.88 58.35 2jpf h LEU 43 Cb 1.18 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.14 2jpf h LEU 43 CO 0.02 0.68 0.53 -0.74 -0.13 0.00 0.00 178.44 178.80 2jpf h HIS 44 N -1.00 0.82 -0.99 1.25 2.76 0.12 0.78 115.15 118.89 2jpf h HIS 44 Ca -0.01 0.04 0.29 0.00 -2.20 0.00 0.00 60.37 58.49 2jpf h HIS 44 Cb 0.33 -0.19 -0.14 0.00 1.55 0.00 0.00 27.41 28.96 2jpf h HIS 44 CO -0.11 -0.42 0.55 0.00 -1.30 0.00 0.00 177.93 176.65 2jpf h THR 45 N 0.06 0.37 0.00 6.26 1.03 -1.72 -3.02 112.91 115.88 2jpf h THR 45 Ca 0.82 -0.13 -0.43 0.00 -0.01 0.00 0.00 66.41 66.66 2jpf h THR 45 Cb 2.11 -0.05 -0.06 0.00 -1.07 0.00 0.00 68.15 69.07 2jpf h THR 45 CO -0.75 0.07 -2.41 0.54 -0.01 0.00 0.00 175.52 172.96 2jpf n ARG 46 N -5.02 0.54 -3.86 0.00 1.74 0.24 -4.94 116.66 105.35 2jpf n ARG 46 Ca 0.30 0.23 -0.28 0.00 -0.77 0.00 0.00 57.85 57.33 2jpf n ARG 46 Cb 0.89 -1.40 -0.16 0.00 -1.02 0.00 0.00 32.46 30.77 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jpf s ARG 47 N -2.46 1.27 0.27 5.56 6.06 0.64 -5.01 118.95 125.28 2jpf s ARG 47 Ca -0.35 -0.59 0.05 0.00 -2.50 0.00 0.00 55.73 52.34 2jpf s ARG 47 Cb 0.14 -2.14 0.37 0.00 0.06 0.00 0.00 34.95 33.38 2jpf s ARG 47 CO 0.45 -0.52 1.65 -1.00 -2.50 0.00 0.00 175.30 173.38 2jpf h PRO 48 N 8.11 0.28 0.08 5.12 0.13 -1.78 -2.74 132.00 141.20 2jpf h PRO 48 Ca -0.21 -0.15 -0.13 0.00 -0.87 0.00 0.00 66.00 64.65 2jpf h PRO 48 Cb 1.10 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2jpf h PRO 48 CO 0.38 0.68 -0.60 0.22 -0.23 0.00 0.00 178.00 178.46 2jpf h ASP 49 N 0.23 0.28 0.11 1.44 3.58 -1.94 -3.26 116.42 116.85 2jpf h ASP 49 Ca 0.01 -0.94 0.00 0.00 0.42 0.00 0.00 57.03 56.52 2jpf h ASP 49 Cb 0.90 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2jpf h ASP 49 CO 0.07 1.28 0.00 1.21 -2.88 0.00 0.00 179.24 178.92 2jpf n GLU 50 N -4.29 0.13 -0.30 0.28 4.07 -1.23 -2.95 120.64 116.35 2jpf n GLU 50 Ca -0.14 0.58 0.06 0.00 -0.06 0.00 0.00 57.16 57.60 2jpf n GLU 50 Cb 0.70 -1.88 0.16 0.00 -0.06 0.00 0.00 31.44 30.36 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2jpf h PHE 51 N 0.00 -0.27 0.00 4.31 -5.15 -1.53 1.41 116.94 115.71 2jpf h PHE 51 Ca 0.00 0.07 -0.03 0.00 -0.20 0.00 0.00 57.97 57.81 2jpf h PHE 51 Cb 0.06 0.25 -0.00 0.00 0.22 0.00 0.00 35.95 36.48 2jpf h PHE 51 CO 0.00 -0.34 -0.13 1.79 -2.00 0.00 0.00 178.31 177.62 2jpf h THR 52 N 0.03 0.58 0.00 0.88 1.35 -1.79 -2.10 112.91 111.86 2jpf h THR 52 Ca 0.45 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2jpf h THR 52 Cb 0.76 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2jpf h THR 52 CO -0.83 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 174.57 2jpf h ALA 53 N 1.87 1.00 0.12 6.62 0.00 0.17 0.73 119.26 129.77 2jpf h ALA 53 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jpf h ALA 53 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jpf h ALA 53 CO 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 2jpf h ARG 54 N 0.00 -0.15 0.00 0.00 2.47 -1.32 -3.33 114.38 112.05 2jpf h ARG 54 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2jpf h ARG 54 Cb 0.06 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2jpf h ARG 54 CO 0.00 -0.10 0.00 1.37 0.56 0.00 0.00 179.97 181.80 2jpf h LEU 55 N -0.28 0.00 -1.08 3.04 -0.00 -1.71 -3.28 115.31 112.01 2jpf h LEU 55 Ca -0.02 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.04 2jpf h LEU 55 Cb 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.68 2jpf h LEU 55 CO 0.03 0.00 0.62 -0.61 -0.00 0.00 0.00 178.44 178.47 2jpf h GLN 56 N 0.00 0.75 0.00 0.17 4.15 0.36 0.45 115.11 121.00 2jpf h GLN 56 Ca 0.00 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 2jpf h GLN 56 Cb 0.83 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 2jpf h GLN 56 CO 0.00 0.50 -0.17 1.96 -1.93 0.00 0.00 178.83 179.19 2jpf h GLN 57 N 0.78 0.00 0.00 1.69 1.08 -1.67 -3.25 115.11 113.74 2jpf h GLN 57 Ca 0.54 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 2jpf h GLN 57 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2jpf h GLN 57 CO -0.32 0.17 -0.08 1.03 -0.95 0.00 0.00 178.83 178.67 2jpf h SER 58 N 0.00 0.00 -0.57 1.46 0.87 -0.41 -3.32 113.55 111.58 2jpf h SER 58 Ca -0.00 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.72 2jpf h SER 58 Cb 0.85 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 2jpf h SER 58 CO 0.02 0.44 0.98 0.74 -0.53 0.00 0.00 176.83 178.49 2jpf h THR 59 N -0.81 0.05 -0.91 2.23 2.02 -0.90 0.29 112.91 114.88 2jpf h THR 59 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 2jpf h THR 59 Cb 0.08 0.14 -0.10 0.00 -1.74 0.00 0.00 68.15 66.54 2jpf h THR 59 CO 0.00 0.00 0.49 -0.78 0.37 0.00 0.00 175.52 175.60 2jpf h ASP 60 N 0.00 0.60 -0.28 4.18 3.58 -1.66 0.50 116.42 123.33 2jpf h ASP 60 Ca 0.27 0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.65 2jpf h ASP 60 Cb 2.23 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.29 2jpf h ASP 60 CO -0.00 0.22 -0.47 0.00 -2.88 0.00 0.00 179.24 176.10 2jpf h ALA 61 N 1.61 0.56 -0.06 -0.78 0.00 -0.64 -1.87 119.26 118.07 2jpf h ALA 61 Ca 0.51 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2jpf h ALA 61 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jpf h ALA 61 CO -0.39 0.68 -0.49 1.25 0.00 0.00 0.00 179.25 180.30 2jpf h LEU 62 N 0.68 0.17 0.01 0.00 6.46 -1.17 0.13 115.31 121.59 2jpf h LEU 62 Ca 0.04 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2jpf h LEU 62 Cb 1.06 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 2jpf h LEU 62 CO 0.11 0.64 -0.00 0.22 -0.62 0.00 0.00 178.44 178.79 2jpf h TYR 63 N 0.13 -0.01 -0.27 1.25 5.03 -0.01 -2.74 116.97 120.36 2jpf h TYR 63 Ca 0.00 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.16 2jpf h TYR 63 Cb 0.92 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 2jpf h TYR 63 CO 0.01 0.62 -0.46 0.77 -1.32 0.00 0.00 178.16 177.78 2jpf h SER 64 N -0.64 0.74 -0.58 -2.11 0.02 -1.35 -1.35 113.55 108.28 2jpf h SER 64 Ca -0.00 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.62 2jpf h SER 64 Cb 0.62 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 2jpf h SER 64 CO 0.00 1.09 0.35 -0.74 -1.14 0.00 0.00 176.83 176.39 2jpf h HIS 65 N 0.55 0.65 0.21 3.45 -0.00 -0.80 0.68 115.15 119.88 2jpf h HIS 65 Ca 0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 2jpf h HIS 65 Cb 1.00 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.21 2jpf h HIS 65 CO 0.05 0.37 -0.10 1.25 -0.00 0.00 0.00 177.93 179.49 2jpf h LEU 66 N 0.69 -0.24 -1.84 0.26 5.85 -1.44 0.42 115.31 119.02 2jpf h LEU 66 Ca 0.24 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.78 2jpf h LEU 66 Cb 0.04 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2jpf h LEU 66 CO -0.11 0.29 0.26 -0.08 -0.34 0.00 0.00 178.44 178.47 2jpf h GLU 67 N -0.94 0.19 0.00 1.25 4.22 -1.21 1.51 114.58 119.59 2jpf h GLU 67 Ca -0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 2jpf h GLU 67 Cb 0.47 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jpf h GLU 67 CO 0.05 0.13 -0.25 0.00 -2.18 0.00 0.00 179.01 176.75 2jpf h ALA 68 N 1.80 0.03 0.24 2.92 0.00 0.34 -2.96 119.26 121.63 2jpf h ALA 68 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jpf h ALA 68 Cb 0.44 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jpf h ALA 68 CO -0.03 0.19 -0.12 0.37 0.00 0.00 0.00 179.25 179.66 2jpf h GLN 69 N -1.00 -0.31 0.00 0.00 5.75 -0.01 -3.07 115.11 116.47 2jpf h GLN 69 Ca -0.04 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2jpf h GLN 69 Cb 0.48 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 2jpf h GLN 69 CO -0.02 0.04 -0.01 2.35 -2.65 0.00 0.00 178.83 178.54 2jpf h TRP 70 N -0.77 0.00 -0.97 3.99 7.01 0.20 -2.16 115.95 123.25 2jpf h TRP 70 Ca -0.03 0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.14 2jpf h TRP 70 Cb 0.50 0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 27.47 2jpf h TRP 70 CO 0.05 0.01 0.61 0.00 -2.79 0.00 0.00 178.44 176.31 2jpf h ALA 71 N 1.99 1.81 -0.60 2.65 0.00 -1.37 0.14 119.26 123.88 2jpf h ALA 71 Ca -0.00 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2jpf h ALA 71 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jpf h ALA 71 CO 0.00 -0.12 0.66 0.87 0.00 0.00 0.00 179.25 180.66 2jpf h LYS 72 N 0.70 0.00 0.77 0.00 6.56 -1.50 0.08 116.57 123.19 2jpf h LYS 72 Ca 0.52 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 60.08 2jpf h LYS 72 Cb 0.89 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 2jpf h LYS 72 CO -0.29 0.00 -0.41 1.96 -2.06 0.00 0.00 179.45 178.65 2jpf h GLN 73 N 0.00 -1.05 0.00 3.15 1.08 -0.92 -3.44 115.11 113.93 2jpf h GLN 73 Ca 0.28 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2jpf h GLN 73 Cb 1.60 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 29.27 2jpf h GLN 73 CO -0.00 -0.70 -0.19 0.72 -0.95 0.00 0.00 178.83 177.71 2jpf n HIS 74 N -5.57 -0.45 0.00 2.96 8.25 -0.45 -5.05 115.22 114.91 2jpf n HIS 74 Ca -0.15 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2jpf n HIS 74 Cb 0.44 0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.95 2jpf n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpf n GLY 75 N 1.90 3.43 0.08 -1.41 0.00 -0.11 -4.90 105.19 104.18 2jpf n GLY 75 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jpf n GLY 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jpf h THR 76 N 0.00 0.75 0.00 2.61 1.35 -1.97 -3.38 112.91 112.27 2jpf h THR 76 Ca 0.00 -1.78 -0.07 0.00 -0.55 0.00 0.00 66.41 64.01 2jpf h THR 76 Cb 0.00 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2jpf h THR 76 CO 0.00 0.25 -0.35 1.55 -0.25 0.00 0.00 175.52 176.72 2jpf h PRO 77 N -1.00 0.00 -5.86 4.72 0.13 -1.96 -3.41 132.00 124.62 2jpf h PRO 77 Ca -0.15 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.57 2jpf h PRO 77 Cb 0.89 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.98 2jpf h PRO 77 CO -0.09 0.35 1.07 -1.25 -0.23 0.00 0.00 178.00 177.84 2jpf s PRO 78 N -3.85 2.59 0.19 1.56 0.04 -1.26 -4.26 135.00 130.01 2jpf s PRO 78 Ca -0.01 0.19 -0.23 0.00 0.04 0.00 0.00 61.00 60.99 2jpf s PRO 78 Cb 0.12 -4.70 0.06 0.00 0.04 0.00 0.00 34.50 30.01 2jpf s PRO 78 CO 0.69 -3.03 0.65 0.99 0.04 0.00 0.00 177.00 176.33 2jpf s THR 79 N 9.54 0.00 0.60 1.26 2.01 -1.26 -4.90 115.64 122.89 2jpf s THR 79 Ca 0.68 -0.30 0.27 0.00 0.31 0.00 0.00 61.69 62.66 2jpf s THR 79 Cb -0.10 -1.31 0.37 0.00 0.01 0.00 0.00 72.50 71.48 2jpf s THR 79 CO 0.11 0.00 1.65 0.00 -0.69 0.00 0.00 174.62 175.68 2jpf h ALA 80 N 2.00 2.43 -0.16 7.40 0.00 -1.95 0.52 119.26 129.49 2jpf h ALA 80 Ca -0.29 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2jpf h ALA 80 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2jpf h ALA 80 CO 0.33 -1.11 -0.29 1.03 0.00 0.00 0.00 179.25 179.22 2jpf h SER 81 N 0.00 0.53 0.00 0.00 0.87 -1.95 -3.04 113.55 109.96 2jpf h SER 81 Ca 0.31 -0.54 -0.09 0.00 -1.23 0.00 0.00 61.79 60.23 2jpf h SER 81 Cb 1.85 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 2jpf h SER 81 CO -0.00 0.98 -0.53 0.44 -0.53 0.00 0.00 176.83 177.18 2jpf h ASP 82 N 0.11 0.00 -0.60 6.23 5.19 -0.42 -3.33 116.42 123.60 2jpf h ASP 82 Ca 0.01 -0.68 0.17 0.00 -0.62 0.00 0.00 57.03 55.92 2jpf h ASP 82 Cb 0.88 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 2jpf h ASP 82 CO 0.07 1.15 0.79 0.58 -3.12 0.00 0.00 179.24 178.70 2jpf h VAL 83 N -1.00 0.16 -0.81 -1.35 2.07 -0.37 0.76 116.25 115.71 2jpf h VAL 83 Ca -0.14 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.53 2jpf h VAL 83 Cb 1.02 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 2jpf h VAL 83 CO -0.08 0.00 0.53 1.62 0.02 0.00 0.00 177.57 179.66 2jpf h VAL 84 N 0.00 0.80 0.00 2.57 3.04 -1.64 -3.23 116.25 117.80 2jpf h VAL 84 Ca 0.28 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 2jpf h VAL 84 Cb 1.86 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2jpf h VAL 84 CO -0.00 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.26 2jpf n GLY 85 N -1.49 0.64 0.09 3.17 0.00 0.10 -4.68 105.19 103.01 2jpf n GLY 85 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 2jpf n GLY 85 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2jpf h MET 86 N 0.00 0.18 -7.40 1.61 4.05 0.31 -3.45 114.93 110.23 2jpf h MET 86 Ca 0.00 -0.03 -0.41 0.00 -0.28 0.00 0.00 59.70 58.98 2jpf h MET 86 Cb 0.42 -0.03 0.19 0.00 -0.80 0.00 0.00 31.60 31.38 2jpf h MET 86 CO 0.00 0.24 0.13 -1.25 0.23 0.00 0.00 176.91 176.26 2jpf s PRO 87 N -5.71 -1.34 0.05 0.39 0.04 -1.26 -4.99 135.00 122.19 2jpf s PRO 87 Ca -0.14 -0.11 0.03 0.00 0.04 0.00 0.00 61.00 60.82 2jpf s PRO 87 Cb 0.07 -1.59 -0.25 0.00 0.04 0.00 0.00 34.50 32.77 2jpf s PRO 87 CO 0.69 -3.78 1.03 -0.56 0.04 0.00 0.00 177.00 174.41 2jpf h GLN 88 N -2.63 0.13 -1.26 4.56 3.07 -1.95 -3.32 115.11 113.70 2jpf h GLN 88 Ca -0.44 -0.22 0.41 0.00 0.09 0.00 0.00 58.65 58.49 2jpf h GLN 88 Cb 1.29 0.08 -0.13 0.00 0.08 0.00 0.00 27.48 28.80 2jpf h GLN 88 CO 0.32 1.00 0.81 0.11 0.09 0.00 0.00 178.83 181.16 2jpf h TRP 89 N 0.03 0.57 -0.81 0.06 5.08 -1.95 1.16 115.95 120.09 2jpf h TRP 89 Ca -0.15 0.02 -0.04 0.00 1.08 0.00 0.00 58.89 59.81 2jpf h TRP 89 Cb 1.92 -0.14 -0.04 0.00 -3.00 0.00 0.00 29.16 27.90 2jpf h TRP 89 CO 0.03 -0.19 0.36 0.37 -1.28 0.00 0.00 178.44 177.74 2jpf h GLN 90 N 0.12 1.19 0.00 0.12 -0.00 -1.84 -0.84 115.11 113.87 2jpf h GLN 90 Ca 0.80 -0.19 -0.06 0.00 -0.00 0.00 0.00 58.65 59.20 2jpf h GLN 90 Cb 2.41 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 29.68 2jpf h GLN 90 CO -0.43 0.94 -0.34 1.49 0.00 0.00 0.00 178.83 180.49 2jpf h GLU 91 N 1.17 0.00 -0.21 1.69 4.81 0.93 -3.34 114.58 119.62 2jpf h GLU 91 Ca 0.28 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.56 2jpf h GLU 91 Cb 0.16 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 2jpf h GLU 91 CO -0.03 0.78 -0.34 1.88 -0.73 0.00 0.00 179.01 180.57 2jpf h TYR 92 N -1.00 -0.95 -1.31 0.92 -1.99 -0.41 0.53 116.97 112.75 2jpf h TYR 92 Ca -0.09 0.05 0.40 0.00 2.00 0.00 0.00 58.73 61.09 2jpf h TYR 92 Cb 0.89 0.45 -0.11 0.00 2.00 0.00 0.00 36.73 39.96 2jpf h TYR 92 CO 0.16 -0.41 0.87 0.00 -0.00 0.00 0.00 178.16 178.78 2jpf h THR 93 N -0.37 0.23 -0.11 -2.88 1.03 -1.32 0.95 112.91 110.43 2jpf h THR 93 Ca 0.11 -0.05 -0.20 0.00 -0.01 0.00 0.00 66.41 66.27 2jpf h THR 93 Cb 0.56 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.72 2jpf h THR 93 CO -0.42 0.02 -0.76 0.00 -0.01 0.00 0.00 175.52 174.36 2jpf h ALA 94 N 1.52 0.46 -0.07 0.00 0.00 -1.03 -3.05 119.26 117.09 2jpf h ALA 94 Ca 0.75 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jpf h ALA 94 Cb 2.42 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.17 2jpf h ALA 94 CO -0.31 0.73 0.13 1.98 0.00 0.00 0.00 179.25 181.78 2jpf h MET 95 N 0.40 0.00 0.27 0.00 -1.53 0.15 0.32 114.93 114.53 2jpf h MET 95 Ca -0.04 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.21 2jpf h MET 95 Cb 1.36 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.41 2jpf h MET 95 CO 0.14 0.00 -0.13 -0.07 0.14 0.00 0.00 176.91 176.99 2jpf h LEU 96 N 0.00 -0.31 -0.98 3.39 3.38 -1.38 0.37 115.31 119.78 2jpf h LEU 96 Ca 0.04 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2jpf h LEU 96 Cb 0.30 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jpf h LEU 96 CO -0.00 0.07 -0.03 0.08 0.09 0.00 0.00 178.44 178.65 2jpf h ARG 97 N -0.95 0.71 0.21 1.13 0.11 -1.56 1.53 114.38 115.56 2jpf h ARG 97 Ca -0.04 -0.19 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2jpf h ARG 97 Cb 0.28 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2jpf h ARG 97 CO 0.06 0.74 -0.10 1.49 0.10 0.00 0.00 179.97 182.26 2jpf h GLU 98 N 0.66 -0.27 -0.72 0.08 4.81 -0.49 -3.25 114.58 115.40 2jpf h GLU 98 Ca 0.13 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2jpf h GLU 98 Cb 0.46 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2jpf h GLU 98 CO 0.02 0.12 0.11 -2.13 -0.73 0.00 0.00 179.01 176.40 2jpf n ARG 99 N -4.99 3.87 -0.23 1.92 3.00 0.12 -4.50 116.66 115.85 2jpf n ARG 99 Ca -0.08 -2.64 0.23 0.00 -0.00 0.00 0.00 57.85 55.37 2jpf n ARG 99 Cb 0.26 -2.12 0.60 0.00 0.00 0.00 0.00 32.46 31.20 2jpf n ARG 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2jpf h PHE 100 N 2.88 0.34 -0.18 -0.14 -0.00 0.22 0.24 116.94 120.30 2jpf h PHE 100 Ca 0.10 0.01 0.05 0.00 -0.00 0.00 0.00 57.97 58.14 2jpf h PHE 100 Cb 1.92 -0.10 -0.01 0.00 -0.00 0.00 0.00 35.95 37.76 2jpf h PHE 100 CO 1.01 0.07 0.45 0.00 -0.00 0.00 0.00 178.31 179.85 2jpf h ALA 101 N 1.59 1.71 0.00 12.09 0.00 -1.81 0.64 119.26 133.47 2jpf h ALA 101 Ca 0.47 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 2jpf h ALA 101 Cb 1.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2jpf h ALA 101 CO -0.13 -0.55 -0.55 0.78 0.00 0.00 0.00 179.25 178.81 2jpf h GLY 102 N 0.00 0.00 0.15 0.00 0.00 -0.88 -3.33 103.07 99.01 2jpf h GLY 102 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2jpf h GLY 102 CO -0.00 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.01 2jpf n LEU 103 N -4.57 0.00 -0.23 3.11 -0.00 -0.71 -4.24 117.00 110.36 2jpf n LEU 103 Ca -0.16 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 55.97 2jpf n LEU 103 Cb 0.45 0.00 0.24 0.00 -0.00 0.00 0.00 43.42 44.11 2jpf n LEU 103 CO 0.20 0.00 0.58 0.47 -0.00 0.00 0.00 177.39 178.63 2jpf n ASP 104 N -0.58 -0.01 -0.28 1.45 8.00 0.13 0.44 116.55 125.71 2jpf n ASP 104 Ca 0.03 1.14 0.05 0.00 0.71 0.00 0.00 54.79 56.71 2jpf n ASP 104 Cb 0.01 -0.45 0.11 0.00 -0.02 0.00 0.00 41.12 40.78 2jpf n ASP 104 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2jpf n THR 105 N -4.81 -0.33 1.12 -3.53 -2.24 -1.26 -5.10 114.28 98.12 2jpf n THR 105 Ca 0.18 1.80 0.12 0.00 -2.27 0.00 0.00 64.05 63.88 2jpf n THR 105 Cb 0.60 -2.48 0.20 0.00 -2.10 0.00 0.00 70.33 66.54 2jpf n THR 105 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12