#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpf s GLN 2 N 0.00 2.55 -0.10 1.97 -0.21 -1.26 -4.97 119.66 117.64 2jpf s GLN 2 Ca 0.00 -1.35 -0.01 0.00 0.02 0.00 0.00 55.36 54.02 2jpf s GLN 2 Cb 0.00 -3.59 -0.00 0.00 1.00 0.00 0.00 33.01 30.41 2jpf s GLN 2 CO 0.00 -0.81 -0.02 1.96 -2.12 0.00 0.00 175.29 174.30 2jpf h GLN 3 N 8.27 0.00 -6.09 2.91 1.08 -2.09 -3.48 115.11 115.71 2jpf h GLN 3 Ca -0.22 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.54 2jpf h GLN 3 Cb 1.08 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 28.55 2jpf h GLN 3 CO 0.67 0.00 -0.74 1.28 -0.95 0.00 0.00 178.83 179.09 2jpf n LEU 4 N -4.61 -2.98 -0.00 1.46 4.32 -1.26 -4.87 117.00 109.06 2jpf n LEU 4 Ca -0.01 -0.69 0.02 0.00 -0.02 0.00 0.00 56.01 55.32 2jpf n LEU 4 Cb 0.03 -2.77 -0.03 0.00 -1.62 0.00 0.00 43.42 39.03 2jpf n LEU 4 CO 0.01 0.53 -0.49 0.00 -1.22 0.00 0.00 177.39 176.22 2jpf n GLN 5 N -4.75 0.73 -0.04 3.23 6.02 -1.26 -4.53 117.38 116.79 2jpf n GLN 5 Ca -0.01 -0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.02 2jpf n GLN 5 Cb 0.56 -1.06 0.38 0.00 1.02 0.00 0.00 30.24 31.14 2jpf n GLN 5 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2jpf n GLU 6 N -1.59 1.31 -2.42 -1.09 4.71 -1.26 -4.87 120.64 115.43 2jpf n GLU 6 Ca -0.01 -0.47 -0.41 0.00 -0.01 0.00 0.00 57.16 56.26 2jpf n GLU 6 Cb 0.11 -1.28 -0.04 0.00 -1.01 0.00 0.00 31.44 29.22 2jpf n GLU 6 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2jpf s HIS 7 N -1.89 3.48 -0.15 -0.32 3.76 -1.26 -5.03 115.29 113.88 2jpf s HIS 7 Ca 0.25 1.46 0.01 0.00 -0.15 0.00 0.00 55.06 56.64 2jpf s HIS 7 Cb 0.12 -3.38 0.02 0.00 1.11 0.00 0.00 32.58 30.45 2jpf s HIS 7 CO 0.19 -1.03 -0.19 0.00 -0.85 0.00 0.00 174.74 172.87 2jpf s ALA 8 N 0.01 2.10 0.30 -1.40 0.00 -1.26 -5.01 121.76 116.50 2jpf s ALA 8 Ca 0.52 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 51.53 2jpf s ALA 8 Cb -0.31 -1.04 0.46 0.00 0.00 0.00 0.00 23.12 22.24 2jpf s ALA 8 CO 0.35 -0.20 1.69 -1.00 0.00 0.00 0.00 175.76 176.60 2jpf h PRO 9 N 7.67 0.14 -0.40 0.00 0.13 -2.01 -3.29 132.00 134.24 2jpf h PRO 9 Ca -0.37 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 2jpf h PRO 9 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 2jpf h PRO 9 CO 0.56 0.58 -0.56 0.77 -0.23 0.00 0.00 178.00 179.13 2jpf h SER 10 N 0.11 -1.87 -3.77 1.44 0.02 -2.04 -3.40 113.55 104.05 2jpf h SER 10 Ca 0.01 0.24 -0.61 0.00 -0.84 0.00 0.00 61.79 60.59 2jpf h SER 10 Cb 0.88 0.76 -0.32 0.00 0.14 0.00 0.00 62.40 63.86 2jpf h SER 10 CO 0.07 -0.41 -0.86 -1.00 -1.14 0.00 0.00 176.83 173.49 2jpf s HIS 11 N -5.65 2.03 0.17 3.45 3.76 -1.24 -5.13 115.29 112.69 2jpf s HIS 11 Ca -0.14 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 2jpf s HIS 11 Cb 0.08 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 2jpf s HIS 11 CO 0.61 -0.24 0.05 0.00 -0.85 0.00 0.00 174.74 174.31 2jpf s ALA 12 N 0.11 1.17 0.09 -1.40 0.00 -1.26 -4.67 121.76 115.79 2jpf s ALA 12 Ca -0.08 -1.58 -0.17 0.00 0.00 0.00 0.00 51.96 50.13 2jpf s ALA 12 Cb -0.14 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.72 2jpf s ALA 12 CO 0.04 -0.43 1.46 -0.91 0.00 0.00 0.00 175.76 175.92 2jpf h ASN 13 N 2.73 0.60 -0.65 0.00 -0.26 -1.98 -2.95 115.58 113.07 2jpf h ASN 13 Ca -0.36 -0.40 0.14 0.00 -0.56 0.00 0.00 56.30 55.11 2jpf h ASN 13 Cb 1.21 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 38.27 2jpf h ASN 13 CO 0.60 0.87 0.44 0.17 -1.06 0.00 0.00 177.43 178.45 2jpf h LEU 14 N 0.33 0.27 -0.73 1.61 -0.00 -2.01 -2.22 115.31 112.56 2jpf h LEU 14 Ca 0.06 0.01 0.14 0.00 -0.00 0.00 0.00 57.88 58.09 2jpf h LEU 14 Cb 0.64 -0.04 -0.14 0.00 -0.00 0.00 0.00 40.66 41.12 2jpf h LEU 14 CO 0.04 0.15 -0.26 -0.78 -0.00 0.00 0.00 178.44 177.58 2jpf h ASP 15 N 0.29 -0.95 -1.79 0.17 3.58 -1.94 -3.36 116.42 112.43 2jpf h ASP 15 Ca 0.31 0.24 -0.50 0.00 0.42 0.00 0.00 57.03 57.50 2jpf h ASP 15 Cb 0.82 0.54 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2jpf h ASP 15 CO -0.07 -0.28 1.56 -0.69 -2.88 0.00 0.00 179.24 176.88 2jpf s VAL 16 N -6.13 3.06 0.07 2.25 1.01 -0.84 -4.85 120.40 114.97 2jpf s VAL 16 Ca -0.14 0.04 -0.34 0.00 0.00 0.00 0.00 61.98 61.54 2jpf s VAL 16 Cb 0.20 -3.12 -0.19 0.00 0.00 0.00 0.00 36.38 33.27 2jpf s VAL 16 CO 0.73 -0.10 1.60 0.07 0.00 0.00 0.00 175.10 177.40 2jpf h LYS 17 N 17.77 -0.96 -5.60 2.72 2.10 -1.87 -3.46 116.57 127.28 2jpf h LYS 17 Ca -0.29 0.07 -0.59 0.00 -2.00 0.00 0.00 60.65 57.83 2jpf h LYS 17 Cb 1.25 0.22 -0.13 0.00 -0.90 0.00 0.00 32.23 32.66 2jpf h LYS 17 CO 1.11 -0.64 -0.61 -1.58 -2.00 0.00 0.00 179.45 175.73 2jpf s TRP 18 N -6.01 2.37 0.25 0.07 0.51 -1.26 -4.77 118.94 110.10 2jpf s TRP 18 Ca -0.18 -0.71 -0.03 0.00 -2.12 0.00 0.00 56.10 53.06 2jpf s TRP 18 Cb 0.03 -1.61 0.49 0.00 -0.81 0.00 0.00 33.47 31.57 2jpf s TRP 18 CO 0.61 0.37 1.72 1.25 -0.51 0.00 0.00 176.95 180.39 2jpf h LEU 19 N 1.89 0.26 -7.42 2.99 5.85 -1.81 -3.42 115.31 113.65 2jpf h LEU 19 Ca -0.43 0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.25 2jpf h LEU 19 Cb 1.24 0.10 -0.26 0.00 0.37 0.00 0.00 40.66 42.11 2jpf h LEU 19 CO 0.77 0.08 -0.39 -0.62 -0.34 0.00 0.00 178.44 177.94 2jpf s ASP 20 N -5.32 -0.30 0.00 1.25 2.15 -1.26 -4.85 116.67 108.34 2jpf s ASP 20 Ca -0.12 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.44 2jpf s ASP 20 Cb 0.21 0.57 0.00 0.00 -0.30 0.00 0.00 42.92 43.40 2jpf s ASP 20 CO 0.76 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 176.26 2jpf n GLY 21 N 3.16 0.80 2.77 2.66 0.00 -1.26 -4.89 105.19 108.43 2jpf n GLY 21 Ca -0.15 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.99 0.06 0.99 1.02 -1.26 -4.75 118.68 115.73 2jpf s LEU 22 Ca 0.00 0.04 -0.32 0.00 0.02 0.00 0.00 54.13 53.86 2jpf s LEU 22 Cb 0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 46.19 45.94 2jpf s LEU 22 CO 0.00 -0.14 1.49 -0.09 0.02 0.00 0.00 176.35 177.63 2jpf h ARG 23 N 7.41 -1.04 -0.98 1.70 2.43 -2.03 -2.70 114.38 119.16 2jpf h ARG 23 Ca -0.42 0.07 0.34 0.00 -0.81 0.00 0.00 59.98 59.15 2jpf h ARG 23 Cb 1.12 0.24 -0.16 0.00 -0.42 0.00 0.00 29.97 30.75 2jpf h ARG 23 CO 0.45 -0.69 0.46 0.00 -1.51 0.00 0.00 179.97 178.67 2jpf h ALA 24 N -1.31 1.85 0.00 2.80 0.00 -2.04 -3.46 119.26 117.09 2jpf h ALA 24 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jpf h ALA 24 Cb 0.86 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jpf h ALA 24 CO 0.11 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 179.09 2jpf n GLY 25 N -1.31 2.81 0.12 0.00 0.00 -1.02 -5.01 105.19 100.78 2jpf n GLY 25 Ca 0.31 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 2jpf n GLY 25 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jpf h SER 26 N 0.00 0.20 -6.27 1.61 0.87 -1.90 -3.49 113.55 104.57 2jpf h SER 26 Ca 0.00 -0.72 -0.46 0.00 -1.23 0.00 0.00 61.79 59.38 2jpf h SER 26 Cb 0.00 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2jpf h SER 26 CO 0.00 1.66 -0.80 0.23 -0.53 0.00 0.00 176.83 177.39 2jpf n MET 27 N -4.00 -4.95 -3.62 2.24 2.81 -1.26 -4.97 117.12 103.36 2jpf n MET 27 Ca -0.32 0.57 -0.18 0.00 -1.81 0.00 0.00 57.70 55.97 2jpf n MET 27 Cb 0.85 -5.25 -0.15 0.00 -0.71 0.00 0.00 33.22 27.96 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jpf s ALA 28 N -3.51 -0.15 0.14 3.04 0.00 -1.26 -5.01 121.76 115.02 2jpf s ALA 28 Ca 0.35 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 2jpf s ALA 28 Cb -0.18 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 2jpf s ALA 28 CO 0.83 -0.76 1.35 1.25 0.00 0.00 0.00 175.76 178.44 2jpf h LEU 29 N 8.36 0.65 0.00 0.00 5.85 -2.04 -3.36 115.31 124.77 2jpf h LEU 29 Ca -0.14 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.07 2jpf h LEU 29 Cb 1.13 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2jpf h LEU 29 CO 0.18 1.23 -1.44 0.00 -0.34 0.00 0.00 178.44 178.07 2jpf n GLN 30 N -3.84 1.14 0.18 1.25 10.64 -1.26 -4.58 117.38 120.91 2jpf n GLN 30 Ca -0.06 -0.05 0.11 0.00 -1.83 0.00 0.00 57.00 55.16 2jpf n GLN 30 Cb 0.76 -1.20 0.28 0.00 -0.86 0.00 0.00 30.24 29.21 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2jpf h GLY 31 N 1.56 0.00 0.75 2.61 0.00 -1.95 0.32 103.07 106.35 2jpf h GLY 31 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2jpf h GLY 31 CO 0.00 0.00 -0.31 1.29 0.00 0.00 0.00 176.54 177.52 2jpf h ASP 32 N 0.00 -0.74 0.49 0.19 3.04 -1.81 -3.14 116.42 114.45 2jpf h ASP 32 Ca 0.13 -0.01 -0.30 0.00 -3.24 0.00 0.00 57.03 53.62 2jpf h ASP 32 Cb 1.97 0.19 -0.01 0.00 -1.04 0.00 0.00 39.33 40.45 2jpf h ASP 32 CO -0.00 -0.38 -1.48 0.58 -2.04 0.00 0.00 179.24 175.92 2jpf h VAL 33 N -1.14 1.22 -1.21 4.15 2.07 -1.18 -3.19 116.25 116.97 2jpf h VAL 33 Ca -0.09 -2.85 0.35 0.00 0.82 0.00 0.00 66.70 64.93 2jpf h VAL 33 Cb 0.71 2.79 -0.07 0.00 -1.52 0.00 0.00 31.29 33.19 2jpf h VAL 33 CO 0.15 0.83 0.84 0.50 0.02 0.00 0.00 177.57 179.90 2jpf h LYS 34 N 0.07 0.11 0.03 1.57 3.64 -0.62 0.31 116.57 121.67 2jpf h LYS 34 Ca -0.22 -0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 58.84 2jpf h LYS 34 Cb 2.00 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.76 2jpf h LYS 34 CO 0.17 0.07 -1.80 1.33 -2.27 0.00 0.00 179.45 176.95 2jpf n VAL 35 N -4.33 1.65 -0.58 2.00 0.24 -1.19 -4.09 118.33 112.04 2jpf n VAL 35 Ca 0.28 -0.76 0.47 0.00 -2.04 0.00 0.00 64.34 62.29 2jpf n VAL 35 Cb 1.22 -1.22 0.79 0.00 -1.47 0.00 0.00 33.84 33.15 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 0.02 0.06 -0.07 6.34 7.01 -0.37 0.77 115.95 129.72 2jpf h TRP 36 Ca -0.33 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.61 2jpf h TRP 36 Cb 2.02 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 29.07 2jpf h TRP 36 CO 0.02 -0.02 -0.20 1.98 -2.79 0.00 0.00 178.44 177.43 2jpf h MET 37 N 0.01 0.25 0.00 2.65 4.05 -1.69 -3.12 114.93 117.09 2jpf h MET 37 Ca 0.83 -0.18 -0.03 0.00 -0.28 0.00 0.00 59.70 60.04 2jpf h MET 37 Cb 3.26 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 34.08 2jpf h MET 37 CO -0.06 0.81 -0.13 -0.56 0.23 0.00 0.00 176.91 177.20 2jpf h GLN 38 N -0.25 0.00 -0.42 0.39 -0.00 0.29 0.69 115.11 115.81 2jpf h GLN 38 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.55 2jpf h GLN 38 Cb 0.83 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.29 2jpf h GLN 38 CO 0.04 0.13 -0.09 -0.91 -0.00 0.00 0.00 178.83 178.01 2jpf h ASN 39 N 0.00 0.80 0.16 0.06 2.35 -1.09 -3.10 115.58 114.76 2jpf h ASN 39 Ca -0.00 -0.35 -0.27 0.00 -0.55 0.00 0.00 56.30 55.13 2jpf h ASN 39 Cb 0.36 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.53 2jpf h ASN 39 CO 0.02 0.97 -1.28 -0.07 -1.65 0.00 0.00 177.43 175.42 2jpf h LEU 40 N 0.62 0.52 -1.78 1.61 3.38 -1.41 -3.17 115.31 115.08 2jpf h LEU 40 Ca 0.11 -0.91 0.40 0.00 0.09 0.00 0.00 57.88 57.57 2jpf h LEU 40 Cb 0.61 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2jpf h LEU 40 CO 0.04 1.59 0.95 1.05 0.09 0.00 0.00 178.44 182.15 2jpf h GLU 41 N -0.20 0.08 0.00 1.13 4.11 -0.93 1.94 114.58 120.72 2jpf h GLU 41 Ca -0.25 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2jpf h GLU 41 Cb 1.84 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2jpf h GLU 41 CO 0.14 0.05 -0.11 0.22 0.07 0.00 0.00 179.01 179.38 2jpf h ASP 42 N 0.08 0.00 0.44 3.06 1.82 -1.63 -3.28 116.42 116.91 2jpf h ASP 42 Ca 0.70 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.32 2jpf h ASP 42 Cb 2.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.55 2jpf h ASP 42 CO -0.14 0.48 -0.21 0.25 -1.61 0.00 0.00 179.24 178.01 2jpf h LEU 43 N -0.85 -0.50 -1.00 2.28 5.85 -1.31 -3.06 115.31 116.71 2jpf h LEU 43 Ca 0.00 -0.09 0.37 0.00 0.84 0.00 0.00 57.88 59.00 2jpf h LEU 43 Cb 0.11 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 41.10 2jpf h LEU 43 CO 0.00 -0.16 0.53 -0.74 -0.34 0.00 0.00 178.44 177.73 2jpf h HIS 44 N -0.88 0.84 -0.91 1.25 2.76 0.30 0.73 115.15 119.23 2jpf h HIS 44 Ca -0.06 0.04 0.19 0.00 -2.20 0.00 0.00 60.37 58.34 2jpf h HIS 44 Cb 0.57 -0.20 -0.11 0.00 1.55 0.00 0.00 27.41 29.22 2jpf h HIS 44 CO 0.01 -0.35 0.47 1.15 -1.30 0.00 0.00 177.93 177.91 2jpf h THR 45 N 0.14 0.63 0.00 6.26 2.02 -1.57 -3.25 112.91 117.14 2jpf h THR 45 Ca 0.79 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.77 2jpf h THR 45 Cb 1.97 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2jpf h THR 45 CO -0.71 0.10 -0.22 -1.14 0.37 0.00 0.00 175.52 173.93 2jpf n ARG 46 N -4.91 0.20 -4.02 6.66 0.63 0.24 -4.92 116.66 110.54 2jpf n ARG 46 Ca 0.21 0.37 -0.31 0.00 -0.92 0.00 0.00 57.85 57.20 2jpf n ARG 46 Cb 0.56 -1.16 -0.16 0.00 0.45 0.00 0.00 32.46 32.15 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2jpf s ARG 47 N -1.54 2.18 -0.02 -0.14 6.06 -0.24 -5.02 118.95 120.22 2jpf s ARG 47 Ca -0.06 -0.90 -0.24 0.00 -2.50 0.00 0.00 55.73 52.02 2jpf s ARG 47 Cb 0.01 -2.49 -0.18 0.00 0.06 0.00 0.00 34.95 32.35 2jpf s ARG 47 CO 0.09 -0.42 1.14 -1.00 -2.50 0.00 0.00 175.30 172.62 2jpf h PRO 48 N 7.94 -0.19 -1.05 5.12 0.13 -1.79 -1.33 132.00 140.84 2jpf h PRO 48 Ca -0.29 0.01 0.30 0.00 -0.87 0.00 0.00 66.00 65.16 2jpf h PRO 48 Cb 1.10 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2jpf h PRO 48 CO 0.49 0.23 0.75 0.22 -0.23 0.00 0.00 178.00 179.46 2jpf h ASP 49 N -0.68 0.01 0.84 1.44 3.58 -1.95 0.71 116.42 120.37 2jpf h ASP 49 Ca -0.02 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 2jpf h ASP 49 Cb 0.50 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2jpf h ASP 49 CO 0.03 0.00 -1.21 -0.62 -2.88 0.00 0.00 179.24 174.57 2jpf n GLU 50 N -4.23 0.61 -0.26 0.28 4.71 -1.18 -4.23 120.64 116.34 2jpf n GLU 50 Ca 0.22 0.14 0.03 0.00 -0.01 0.00 0.00 57.16 57.55 2jpf n GLU 50 Cb 1.11 -1.80 0.12 0.00 -1.01 0.00 0.00 31.44 29.85 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2jpf h PHE 51 N 0.00 -0.24 0.00 -0.32 -5.15 0.16 1.05 116.94 112.44 2jpf h PHE 51 Ca -0.07 0.06 -0.01 0.00 -0.20 0.00 0.00 57.97 57.75 2jpf h PHE 51 Cb 1.23 0.23 -0.00 0.00 0.22 0.00 0.00 35.95 37.62 2jpf h PHE 51 CO 0.00 -0.29 -0.06 0.00 -2.00 0.00 0.00 178.31 175.95 2jpf h THR 52 N 0.04 0.49 0.00 0.88 1.03 -1.73 -1.67 112.91 111.95 2jpf h THR 52 Ca 0.39 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.50 2jpf h THR 52 Cb 0.64 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 2jpf h THR 52 CO -0.73 0.06 0.00 0.00 -0.01 0.00 0.00 175.52 174.84 2jpf h ALA 53 N 1.94 1.00 0.10 0.00 0.00 0.94 1.35 119.26 124.59 2jpf h ALA 53 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jpf h ALA 53 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jpf h ALA 53 CO 0.01 0.00 -0.05 -0.09 0.00 0.00 0.00 179.25 179.12 2jpf h ARG 54 N 0.00 -0.13 0.00 0.00 2.43 -1.31 -3.36 114.38 112.01 2jpf h ARG 54 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2jpf h ARG 54 Cb 0.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2jpf h ARG 54 CO 0.00 -0.08 0.00 1.37 -1.51 0.00 0.00 179.97 179.75 2jpf h LEU 55 N -0.44 0.00 -0.98 3.80 -0.00 -1.69 -3.31 115.31 112.70 2jpf h LEU 55 Ca -0.01 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 58.18 2jpf h LEU 55 Cb 0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 40.61 2jpf h LEU 55 CO 0.02 0.00 0.47 -0.61 -0.00 0.00 0.00 178.44 178.32 2jpf h GLN 56 N 0.00 0.24 0.00 0.17 4.15 0.16 1.56 115.11 121.40 2jpf h GLN 56 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 2jpf h GLN 56 Cb 0.85 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 2jpf h GLN 56 CO 0.00 0.16 -0.27 1.96 -1.93 0.00 0.00 178.83 178.76 2jpf h GLN 57 N 0.25 0.00 0.00 1.69 4.20 -1.75 -3.33 115.11 116.18 2jpf h GLN 57 Ca 0.70 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.41 2jpf h GLN 57 Cb 1.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.38 2jpf h GLN 57 CO -0.65 0.05 -0.00 0.77 -0.67 0.00 0.00 178.83 178.33 2jpf h SER 58 N 0.00 -0.00 -0.60 1.46 0.02 0.18 -3.31 113.55 111.30 2jpf h SER 58 Ca -0.00 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 2jpf h SER 58 Cb 1.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2jpf h SER 58 CO 0.01 0.39 0.97 0.00 -1.14 0.00 0.00 176.83 177.06 2jpf h THR 59 N -0.79 0.06 -1.01 -2.27 1.03 -0.52 0.25 112.91 109.66 2jpf h THR 59 Ca -0.00 0.00 0.23 0.00 -0.01 0.00 0.00 66.41 66.63 2jpf h THR 59 Cb 0.00 0.16 -0.11 0.00 -1.07 0.00 0.00 68.15 67.14 2jpf h THR 59 CO 0.00 0.00 0.62 -0.78 -0.01 0.00 0.00 175.52 175.35 2jpf h ASP 60 N 0.00 0.62 0.47 0.00 1.82 -1.67 0.22 116.42 117.87 2jpf h ASP 60 Ca 0.29 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 57.02 2jpf h ASP 60 Cb 2.23 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 42.22 2jpf h ASP 60 CO -0.00 0.15 -0.43 0.00 -1.61 0.00 0.00 179.24 177.34 2jpf h ALA 61 N 1.67 -0.97 -0.54 -0.78 0.00 -0.73 0.54 119.26 118.44 2jpf h ALA 61 Ca 0.60 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 2jpf h ALA 61 Cb 1.22 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2jpf h ALA 61 CO -0.38 -1.08 0.05 1.25 0.00 0.00 0.00 179.25 179.09 2jpf h LEU 62 N -0.90 0.89 0.41 0.00 6.46 -1.50 0.12 115.31 120.78 2jpf h LEU 62 Ca -0.05 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2jpf h LEU 62 Cb 0.79 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 2jpf h LEU 62 CO -0.04 0.95 -0.49 1.88 -0.62 0.00 0.00 178.44 180.11 2jpf h TYR 63 N 0.80 -1.38 0.00 1.25 -1.99 -0.43 0.15 116.97 115.37 2jpf h TYR 63 Ca 0.16 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.84 2jpf h TYR 63 Cb 0.47 0.55 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 2jpf h TYR 63 CO 0.03 -0.63 -0.31 0.77 -0.00 0.00 0.00 178.16 178.02 2jpf h SER 64 N -0.92 0.00 0.54 3.88 0.02 -0.91 -0.04 113.55 116.12 2jpf h SER 64 Ca -0.05 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2jpf h SER 64 Cb 0.82 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.36 2jpf h SER 64 CO -0.11 0.31 -0.26 -0.74 -1.14 0.00 0.00 176.83 174.89 2jpf h HIS 65 N 0.00 -0.67 0.00 3.45 -0.00 -0.16 0.21 115.15 117.98 2jpf h HIS 65 Ca -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2jpf h HIS 65 Cb 0.62 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.25 2jpf h HIS 65 CO 0.00 -0.39 -0.00 1.25 -0.00 0.00 0.00 177.93 178.79 2jpf h LEU 66 N -0.80 -0.00 -0.98 0.26 5.85 -0.94 0.51 115.31 119.21 2jpf h LEU 66 Ca -0.07 -0.67 0.12 0.00 0.84 0.00 0.00 57.88 58.10 2jpf h LEU 66 Cb 0.59 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 2jpf h LEU 66 CO 0.12 0.67 0.61 -0.08 -0.34 0.00 0.00 178.44 179.42 2jpf h GLU 67 N -0.68 0.92 0.00 1.25 4.22 -1.07 0.81 114.58 120.03 2jpf h GLU 67 Ca -0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 2jpf h GLU 67 Cb 0.67 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jpf h GLU 67 CO 0.00 0.61 -0.21 0.00 -2.18 0.00 0.00 179.01 177.24 2jpf h ALA 68 N 1.54 0.00 0.35 2.92 0.00 -0.63 -3.01 119.26 120.43 2jpf h ALA 68 Ca 0.49 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jpf h ALA 68 Cb 0.51 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2jpf h ALA 68 CO -0.27 0.20 -0.35 0.37 0.00 0.00 0.00 179.25 179.19 2jpf h GLN 69 N -1.00 -0.70 0.00 0.00 5.75 0.06 -1.29 115.11 117.93 2jpf h GLN 69 Ca -0.00 0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2jpf h GLN 69 Cb 0.22 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 2jpf h GLN 69 CO -0.00 -0.47 -0.00 2.35 -2.65 0.00 0.00 178.83 178.06 2jpf h TRP 70 N -0.73 0.00 -1.39 3.99 2.91 0.57 -2.53 115.95 118.78 2jpf h TRP 70 Ca -0.02 0.00 0.41 0.00 1.13 0.00 0.00 58.89 60.41 2jpf h TRP 70 Cb 0.66 0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 29.22 2jpf h TRP 70 CO -0.21 0.00 0.96 0.00 -1.03 0.00 0.00 178.44 178.16 2jpf h ALA 71 N 2.00 3.04 -0.96 2.65 0.00 -1.08 0.68 119.26 125.57 2jpf h ALA 71 Ca -0.00 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2jpf h ALA 71 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2jpf h ALA 71 CO 0.00 -1.53 0.62 0.87 0.00 0.00 0.00 179.25 179.21 2jpf h LYS 72 N 0.09 1.13 -0.16 0.00 6.56 -1.58 0.20 116.57 122.82 2jpf h LYS 72 Ca 0.74 -0.07 0.03 0.00 -1.06 0.00 0.00 60.65 60.29 2jpf h LYS 72 Cb 2.60 -0.26 -0.06 0.00 -0.57 0.00 0.00 32.23 33.94 2jpf h LYS 72 CO -0.18 0.75 -0.54 1.96 -2.06 0.00 0.00 179.45 179.37 2jpf h GLN 73 N 1.17 -0.54 0.00 3.15 1.08 0.14 -3.42 115.11 116.68 2jpf h GLN 73 Ca 0.40 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 2jpf h GLN 73 Cb 0.09 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2jpf h GLN 73 CO -0.15 -0.36 -0.21 0.72 -0.95 0.00 0.00 178.83 177.88 2jpf n HIS 74 N -5.39 -0.49 0.00 2.96 8.25 -1.10 -5.04 115.22 114.40 2jpf n HIS 74 Ca -0.06 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2jpf n HIS 74 Cb 0.37 0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.86 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 1.97 3.38 0.08 -1.41 0.00 0.04 -4.87 105.19 104.38 2jpf n GLY 75 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.77 0.00 2.61 1.35 -1.97 -3.38 112.91 112.29 2jpf h THR 76 Ca 0.00 -1.79 -0.07 0.00 -0.55 0.00 0.00 66.41 63.99 2jpf h THR 76 Cb 0.00 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 2jpf h THR 76 CO 0.00 0.26 -0.36 1.55 -0.25 0.00 0.00 175.52 176.72 2jpf h PRO 77 N -1.00 0.00 -5.90 4.72 0.13 -1.97 -3.41 132.00 124.56 2jpf h PRO 77 Ca -0.15 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.54 2jpf h PRO 77 Cb 0.90 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 2jpf h PRO 77 CO -0.09 0.36 1.18 -1.25 -0.23 0.00 0.00 178.00 177.96 2jpf s PRO 78 N -3.86 2.60 -0.06 1.56 0.04 -1.26 -4.21 135.00 129.81 2jpf s PRO 78 Ca -0.01 0.35 -0.29 0.00 0.04 0.00 0.00 61.00 61.09 2jpf s PRO 78 Cb 0.12 -4.58 0.10 0.00 0.04 0.00 0.00 34.50 30.18 2jpf s PRO 78 CO 0.69 -2.92 0.86 0.99 0.04 0.00 0.00 177.00 176.65 2jpf s THR 79 N 9.38 0.00 0.63 1.26 2.01 -1.26 -4.90 115.64 122.75 2jpf s THR 79 Ca 0.68 0.00 0.18 0.00 0.31 0.00 0.00 61.69 62.86 2jpf s THR 79 Cb -0.11 -1.00 0.26 0.00 0.01 0.00 0.00 72.50 71.66 2jpf s THR 79 CO 0.15 0.00 1.22 0.00 -0.69 0.00 0.00 174.62 175.29 2jpf h ALA 80 N 2.43 2.62 -0.05 7.40 0.00 -1.95 1.04 119.26 130.76 2jpf h ALA 80 Ca -0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2jpf h ALA 80 Cb 1.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jpf h ALA 80 CO 0.33 -1.47 -0.08 1.03 0.00 0.00 0.00 179.25 179.06 2jpf h SER 81 N 0.00 0.15 0.11 0.00 0.87 -1.94 -3.25 113.55 109.49 2jpf h SER 81 Ca 0.32 -0.55 -0.31 0.00 -1.23 0.00 0.00 61.79 60.02 2jpf h SER 81 Cb 2.57 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 64.47 2jpf h SER 81 CO -0.00 0.67 -1.61 0.44 -0.53 0.00 0.00 176.83 175.79 2jpf h ASP 82 N -0.36 0.37 -0.50 6.23 5.19 0.68 -3.34 116.42 124.69 2jpf h ASP 82 Ca 0.00 -0.85 0.15 0.00 -0.62 0.00 0.00 57.03 55.71 2jpf h ASP 82 Cb 0.64 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 2jpf h ASP 82 CO 0.02 1.70 0.86 0.58 -3.12 0.00 0.00 179.24 179.28 2jpf h VAL 83 N -0.23 0.08 -0.84 -1.35 2.07 -0.35 0.41 116.25 116.04 2jpf h VAL 83 Ca -0.35 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.36 2jpf h VAL 83 Cb 1.83 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 2jpf h VAL 83 CO 0.05 0.00 0.57 -0.37 0.02 0.00 0.00 177.57 177.83 2jpf h VAL 84 N 0.00 0.70 0.00 2.57 -1.51 -1.68 -3.22 116.25 113.11 2jpf h VAL 84 Ca 0.24 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 2jpf h VAL 84 Cb 1.96 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2jpf h VAL 84 CO -0.00 0.06 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 2jpf n GLY 85 N -1.55 0.27 0.09 5.19 0.00 0.11 -4.69 105.19 104.60 2jpf n GLY 85 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.16 0.00 1.61 -1.53 -0.54 -3.45 114.93 111.17 2jpf h MET 86 Ca 0.00 -0.04 -0.38 0.00 -3.44 0.00 0.00 59.70 55.84 2jpf h MET 86 Cb 0.60 -0.02 0.19 0.00 -0.55 0.00 0.00 31.60 31.82 2jpf h MET 86 CO 0.00 0.35 0.11 -0.35 0.14 0.00 0.00 176.91 177.16 2jpf n PRO 87 N -4.87 -3.08 0.06 0.39 -0.04 -1.26 -4.99 135.00 121.21 2jpf n PRO 87 Ca -0.06 -1.69 -0.15 0.00 -0.04 0.00 0.00 63.50 61.56 2jpf n PRO 87 Cb 0.16 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 2jpf n PRO 87 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2jpf h GLN 88 N 0.00 0.20 -1.15 0.54 3.07 -1.95 -3.33 115.11 112.49 2jpf h GLN 88 Ca -0.40 -0.35 0.40 0.00 0.09 0.00 0.00 58.65 58.40 2jpf h GLN 88 Cb 1.22 0.13 -0.15 0.00 0.08 0.00 0.00 27.48 28.76 2jpf h GLN 88 CO 0.26 1.07 0.69 0.11 0.09 0.00 0.00 178.83 181.05 2jpf h TRP 89 N 0.06 0.71 -0.12 0.06 5.08 -1.95 0.65 115.95 120.44 2jpf h TRP 89 Ca -0.20 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.80 2jpf h TRP 89 Cb 1.98 -0.18 -0.01 0.00 -3.00 0.00 0.00 29.16 27.96 2jpf h TRP 89 CO 0.05 -0.28 0.06 0.37 -1.28 0.00 0.00 178.44 177.36 2jpf h GLN 90 N 0.12 0.17 -0.23 0.12 -0.00 -1.84 0.24 115.11 113.69 2jpf h GLN 90 Ca 0.81 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 59.33 2jpf h GLN 90 Cb 2.26 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 29.70 2jpf h GLN 90 CO -0.57 0.23 -0.28 0.93 0.00 0.00 0.00 178.83 179.15 2jpf h GLU 91 N 0.07 0.59 0.69 1.69 5.08 -0.09 -3.19 114.58 119.41 2jpf h GLU 91 Ca 0.04 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 2jpf h GLU 91 Cb 0.12 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2jpf h GLU 91 CO -0.01 0.93 -0.33 1.88 -1.00 0.00 0.00 179.01 180.48 2jpf h TYR 92 N 0.28 -0.86 -0.43 4.33 -1.99 -0.40 -2.30 116.97 115.60 2jpf h TYR 92 Ca 0.03 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.86 2jpf h TYR 92 Cb 0.84 0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.84 2jpf h TYR 92 CO 0.08 -0.51 0.80 0.00 -0.00 0.00 0.00 178.16 178.53 2jpf h THR 93 N -1.01 0.09 0.19 -2.88 1.03 -0.61 0.74 112.91 110.47 2jpf h THR 93 Ca -0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.01 2jpf h THR 93 Cb 0.73 0.30 0.03 0.00 -1.07 0.00 0.00 68.15 68.14 2jpf h THR 93 CO 0.16 0.00 -1.27 0.00 -0.01 0.00 0.00 175.52 174.40 2jpf h ALA 94 N 0.81 -0.11 -0.01 0.00 0.00 -1.40 -3.24 119.26 115.31 2jpf h ALA 94 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2jpf h ALA 94 Cb 1.80 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 2jpf h ALA 94 CO -0.00 0.61 0.02 1.98 0.00 0.00 0.00 179.25 181.86 2jpf h MET 95 N 0.07 0.00 0.15 0.00 -1.53 0.73 0.73 114.93 115.07 2jpf h MET 95 Ca -0.21 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.04 2jpf h MET 95 Cb 1.98 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.03 2jpf h MET 95 CO 0.24 0.00 -0.07 -0.07 0.14 0.00 0.00 176.91 177.15 2jpf h LEU 96 N 0.00 -0.17 -0.65 3.39 3.38 -1.53 0.15 115.31 119.88 2jpf h LEU 96 Ca 0.01 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2jpf h LEU 96 Cb 0.04 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2jpf h LEU 96 CO -0.00 0.42 -0.09 0.08 0.09 0.00 0.00 178.44 178.94 2jpf h ARG 97 N -0.95 0.00 0.00 1.13 0.11 -1.51 0.87 114.38 114.03 2jpf h ARG 97 Ca -0.02 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 2jpf h ARG 97 Cb 0.47 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 2jpf h ARG 97 CO 0.03 0.09 -0.68 1.49 0.10 0.00 0.00 179.97 181.00 2jpf h GLU 98 N 0.00 0.00 0.06 0.08 4.57 0.37 -3.41 114.58 116.25 2jpf h GLU 98 Ca -0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2jpf h GLU 98 Cb 0.84 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 2jpf h GLU 98 CO 0.01 0.87 -1.82 -2.13 -1.18 0.00 0.00 179.01 174.76 2jpf n ARG 99 N -4.53 0.67 -2.85 1.92 0.00 0.48 -4.95 116.66 107.39 2jpf n ARG 99 Ca -0.21 0.36 -0.14 0.00 -0.00 0.00 0.00 57.85 57.87 2jpf n ARG 99 Cb 0.54 -1.69 -0.01 0.00 0.00 0.00 0.00 32.46 31.30 2jpf n ARG 99 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2jpf n PHE 100 N -3.86 -1.68 -3.55 -0.14 -1.74 0.30 -4.89 117.46 101.90 2jpf n PHE 100 Ca -0.35 0.18 -0.41 0.00 -0.56 0.00 0.00 57.45 56.30 2jpf n PHE 100 Cb 0.90 -2.20 -0.09 0.00 1.52 0.00 0.00 39.48 39.61 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jpf s ALA 101 N -2.55 3.38 0.00 1.98 0.00 -1.26 -4.62 121.76 118.69 2jpf s ALA 101 Ca 0.17 -2.34 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2jpf s ALA 101 Cb -0.09 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2jpf s ALA 101 CO 0.20 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.58 2jpf n GLY 102 N 4.96 2.88 3.52 0.00 0.00 -1.26 -5.07 105.19 110.22 2jpf n GLY 102 Ca -0.10 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 2jpf n GLY 102 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jpf n LEU 103 N 0.00 1.84 -3.89 0.99 -0.00 -1.26 -4.84 117.00 109.84 2jpf n LEU 103 Ca 0.00 -0.13 -0.09 0.00 -0.00 0.00 0.00 56.01 55.79 2jpf n LEU 103 Cb 0.00 -1.36 -0.00 0.00 -0.00 0.00 0.00 43.42 42.06 2jpf n LEU 103 CO 0.00 -1.16 0.42 -1.81 -0.00 0.00 0.00 177.39 174.84 2jpf s ASP 104 N 10.30 0.11 -0.26 1.45 1.01 -1.26 -4.92 116.67 123.09 2jpf s ASP 104 Ca 1.10 -1.08 -0.03 0.00 0.71 0.00 0.00 52.55 53.24 2jpf s ASP 104 Cb -0.58 0.77 0.03 0.00 1.01 0.00 0.00 42.92 44.15 2jpf s ASP 104 CO 0.37 -1.50 0.08 1.07 0.21 0.00 0.00 175.17 175.40 2jpf n THR 105 N -0.51 0.00 1.32 -1.27 5.66 -1.26 -5.25 114.28 112.97 2jpf n THR 105 Ca -0.05 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.05 2jpf n THR 105 Cb 0.60 -0.07 0.63 0.00 -1.55 0.00 0.00 70.33 69.94 2jpf n THR 105 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64