#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 0.02 -6.75 1.64 -0.00 -2.13 -3.39 115.11 104.50 2jpf h GLN 2 Ca 0.00 -0.00 -0.53 0.00 -0.00 0.00 0.00 58.65 58.11 2jpf h GLN 2 Cb 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 27.48 27.56 2jpf h GLN 2 CO 0.00 0.01 0.90 1.04 0.00 0.00 0.00 178.83 180.78 2jpf n GLN 3 N -5.35 2.69 -0.06 1.69 3.00 -1.26 -4.91 117.38 113.18 2jpf n GLN 3 Ca 0.31 0.96 -0.07 0.00 -0.01 0.00 0.00 57.00 58.19 2jpf n GLN 3 Cb 1.05 -2.75 -0.07 0.00 0.00 0.00 0.00 30.24 28.47 2jpf n GLN 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2jpf n LEU 4 N 2.56 1.68 -4.65 1.08 0.00 -1.26 -5.01 117.00 111.41 2jpf n LEU 4 Ca 0.10 -0.04 -0.46 0.00 0.00 0.00 0.00 56.01 55.61 2jpf n LEU 4 Cb 0.36 -0.15 -0.04 0.00 0.00 0.00 0.00 43.42 43.59 2jpf n LEU 4 CO 0.64 0.52 1.01 0.00 0.00 0.00 0.00 177.39 179.56 2jpf n GLN 5 N -2.67 1.86 -3.82 1.96 3.00 -1.26 -4.96 117.38 111.49 2jpf n GLN 5 Ca -0.21 0.67 -0.08 0.00 -0.01 0.00 0.00 57.00 57.37 2jpf n GLN 5 Cb 0.79 -2.33 0.01 0.00 0.00 0.00 0.00 30.24 28.71 2jpf n GLN 5 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2jpf s GLU 6 N 0.01 2.13 -0.35 -1.09 -1.05 -1.26 -5.11 118.70 111.99 2jpf s GLU 6 Ca 0.73 -1.34 -0.28 0.00 -0.15 0.00 0.00 54.97 53.93 2jpf s GLU 6 Cb -0.71 0.62 -0.03 0.00 -0.44 0.00 0.00 34.13 33.57 2jpf s GLU 6 CO 0.47 -1.00 1.92 -1.01 0.95 0.00 0.00 175.26 176.59 2jpf s HIS 7 N -2.68 1.63 0.30 4.83 3.76 -1.26 -4.97 115.29 116.90 2jpf s HIS 7 Ca 0.15 0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 55.54 2jpf s HIS 7 Cb -0.05 -4.05 -0.09 0.00 1.11 0.00 0.00 32.58 29.49 2jpf s HIS 7 CO 0.10 -3.04 0.83 0.00 -0.85 0.00 0.00 174.74 171.78 2jpf s ALA 8 N 7.76 3.28 0.56 -1.40 0.00 -1.26 -5.05 121.76 125.65 2jpf s ALA 8 Ca 0.83 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 2jpf s ALA 8 Cb -0.23 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2jpf s ALA 8 CO 0.32 0.25 1.13 -1.25 0.00 0.00 0.00 175.76 176.21 2jpf s PRO 9 N -2.37 3.30 0.06 0.00 0.04 -1.26 -4.94 135.00 129.83 2jpf s PRO 9 Ca 0.50 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 2jpf s PRO 9 Cb -0.15 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2jpf s PRO 9 CO 0.20 -0.89 1.92 -1.12 0.04 0.00 0.00 177.00 177.15 2jpf s SER 10 N -1.87 6.44 -0.18 6.66 0.01 -1.26 -4.97 113.70 118.53 2jpf s SER 10 Ca 0.72 2.70 0.01 0.00 1.31 0.00 0.00 55.95 60.69 2jpf s SER 10 Cb -0.23 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.48 2jpf s SER 10 CO 0.28 -1.04 -0.18 -1.38 0.41 0.00 0.00 173.24 171.33 2jpf s HIS 11 N 3.94 2.72 0.66 2.43 -3.43 -1.26 -5.11 115.29 115.24 2jpf s HIS 11 Ca 0.86 -1.63 -0.17 0.00 -0.80 0.00 0.00 55.06 53.31 2jpf s HIS 11 Cb -0.44 -1.87 -0.00 0.00 -1.43 0.00 0.00 32.58 28.84 2jpf s HIS 11 CO 0.40 -0.79 1.25 0.00 -2.00 0.00 0.00 174.74 173.60 2jpf s ALA 12 N 1.31 2.33 -0.03 -1.38 0.00 -1.26 -4.96 121.76 117.77 2jpf s ALA 12 Ca 0.04 1.08 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 2jpf s ALA 12 Cb -0.13 -3.51 -0.22 0.00 0.00 0.00 0.00 23.12 19.26 2jpf s ALA 12 CO -0.12 -1.59 1.10 -0.91 0.00 0.00 0.00 175.76 174.24 2jpf h ASN 13 N 0.37 0.27 -0.25 0.00 4.21 -1.99 -3.18 115.58 115.02 2jpf h ASN 13 Ca -0.50 -0.71 0.00 0.00 1.21 0.00 0.00 56.30 56.30 2jpf h ASN 13 Cb 1.32 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2jpf h ASN 13 CO 0.52 0.95 0.00 -0.11 -1.29 0.00 0.00 177.43 177.50 2jpf n LEU 14 N -4.50 1.99 -0.29 1.61 -0.00 -1.26 -4.41 117.00 110.14 2jpf n LEU 14 Ca -0.09 -1.00 -0.02 0.00 -0.00 0.00 0.00 56.01 54.90 2jpf n LEU 14 Cb 0.49 -0.34 0.04 0.00 -0.00 0.00 0.00 43.42 43.61 2jpf n LEU 14 CO 0.40 0.38 0.63 -0.78 -0.00 0.00 0.00 177.39 178.02 2jpf h ASP 15 N 1.55 -1.14 -4.47 1.96 3.58 -1.93 -3.40 116.42 112.56 2jpf h ASP 15 Ca 0.00 0.26 -0.48 0.00 0.42 0.00 0.00 57.03 57.23 2jpf h ASP 15 Cb 0.64 0.62 0.08 0.00 1.72 0.00 0.00 39.33 42.40 2jpf h ASP 15 CO 0.07 -0.29 0.40 0.68 -2.88 0.00 0.00 179.24 177.22 2jpf s VAL 16 N -6.05 3.03 0.96 2.25 -7.23 -1.26 -5.08 120.40 107.02 2jpf s VAL 16 Ca -0.14 0.31 -0.15 0.00 -1.81 0.00 0.00 61.98 60.18 2jpf s VAL 16 Cb 0.19 -3.33 0.21 0.00 0.56 0.00 0.00 36.38 34.02 2jpf s VAL 16 CO 0.72 -0.43 1.31 -0.54 -0.31 0.00 0.00 175.10 175.85 2jpf s LYS 17 N -5.41 0.56 1.10 4.82 1.02 -1.26 -5.04 119.74 115.53 2jpf s LYS 17 Ca 0.59 -0.56 -0.16 0.00 0.02 0.00 0.00 55.97 55.87 2jpf s LYS 17 Cb -0.11 -1.88 0.21 0.00 -0.52 0.00 0.00 37.83 35.53 2jpf s LYS 17 CO 0.51 -2.43 0.41 0.91 -0.92 0.00 0.00 175.35 173.83 2jpf n TRP 18 N -3.74 -2.53 -0.28 3.18 8.01 -1.26 -4.80 117.44 116.03 2jpf n TRP 18 Ca 0.16 -0.15 0.09 0.00 -1.31 0.00 0.00 57.50 56.30 2jpf n TRP 18 Cb 0.59 -1.40 0.24 0.00 -2.01 0.00 0.00 31.31 28.74 2jpf n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2jpf h LEU 19 N -2.82 0.09 -8.60 -0.99 6.46 -1.81 -3.40 115.31 104.24 2jpf h LEU 19 Ca -0.30 0.16 -0.69 0.00 -0.12 0.00 0.00 57.88 56.93 2jpf h LEU 19 Cb 0.92 0.20 -0.30 0.00 -0.73 0.00 0.00 40.66 40.75 2jpf h LEU 19 CO 0.19 -0.06 -0.87 -1.81 -0.62 0.00 0.00 178.44 175.27 2jpf s ASP 20 N -5.19 3.22 0.00 1.25 1.11 -1.26 -4.81 116.67 110.98 2jpf s ASP 20 Ca -0.12 -0.45 0.00 0.00 0.18 0.00 0.00 52.55 52.16 2jpf s ASP 20 Cb 0.24 -0.65 0.00 0.00 1.07 0.00 0.00 42.92 43.57 2jpf s ASP 20 CO 0.77 0.29 0.00 0.61 1.18 0.00 0.00 175.17 178.01 2jpf n GLY 21 N 2.67 2.99 3.56 0.21 0.00 -1.26 -5.05 105.19 108.30 2jpf n GLY 21 Ca -0.17 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 2jpf n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jpf n LEU 22 N 0.00 2.16 -0.09 0.99 4.32 -1.26 -4.97 117.00 118.15 2jpf n LEU 22 Ca 0.00 0.51 -0.18 0.00 -0.02 0.00 0.00 56.01 56.32 2jpf n LEU 22 Cb 0.00 -1.35 -0.11 0.00 -1.62 0.00 0.00 43.42 40.34 2jpf n LEU 22 CO 0.00 -2.62 -0.18 -0.09 -1.22 0.00 0.00 177.39 173.28 2jpf h ARG 23 N -0.98 0.00 -2.39 3.23 2.43 -2.02 -3.50 114.38 111.14 2jpf h ARG 23 Ca -0.45 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.87 2jpf h ARG 23 Cb 1.31 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.76 2jpf h ARG 23 CO 0.42 0.95 0.46 0.00 -1.51 0.00 0.00 179.97 180.28 2jpf s ALA 24 N -2.33 -1.66 0.00 2.80 0.00 -1.26 -5.02 121.76 114.29 2jpf s ALA 24 Ca -0.24 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2jpf s ALA 24 Cb 0.02 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2jpf s ALA 24 CO 0.60 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2jpf n GLY 25 N -0.42 2.11 0.13 0.00 0.00 -1.26 -4.79 105.19 100.96 2jpf n GLY 25 Ca -0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2jpf n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jpf h SER 26 N 0.00 -0.18 -0.66 1.61 4.64 -1.97 -3.22 113.55 113.77 2jpf h SER 26 Ca 0.00 -0.27 0.12 0.00 -0.47 0.00 0.00 61.79 61.17 2jpf h SER 26 Cb 0.00 0.05 -0.12 0.00 -0.31 0.00 0.00 62.40 62.02 2jpf h SER 26 CO 0.00 0.19 -0.20 0.23 -0.87 0.00 0.00 176.83 176.19 2jpf n MET 27 N -5.02 -0.09 -0.09 4.77 2.00 -1.26 0.14 117.12 117.57 2jpf n MET 27 Ca -0.09 1.03 -0.07 0.00 0.00 0.00 0.00 57.70 58.57 2jpf n MET 27 Cb 0.23 -1.53 -0.00 0.00 0.00 0.00 0.00 33.22 31.92 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jpf h ALA 28 N 1.18 -0.00 -0.19 3.04 0.00 -1.96 0.26 119.26 121.59 2jpf h ALA 28 Ca 0.29 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2jpf h ALA 28 Cb 0.45 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jpf h ALA 28 CO -0.67 -0.61 0.00 1.28 0.00 0.00 0.00 179.25 179.25 2jpf n LEU 29 N -5.37 1.14 -3.74 0.00 4.77 0.37 -4.89 117.00 109.28 2jpf n LEU 29 Ca 0.01 -0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 55.18 2jpf n LEU 29 Cb 0.29 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2jpf n LEU 29 CO 0.13 0.27 -0.01 0.00 -1.33 0.00 0.00 177.39 176.45 2jpf n GLN 30 N 0.07 -5.26 -0.16 3.23 1.13 0.91 -4.44 117.38 112.86 2jpf n GLN 30 Ca 0.07 0.63 0.26 0.00 -1.94 0.00 0.00 57.00 56.02 2jpf n GLN 30 Cb 0.19 -5.31 0.44 0.00 0.11 0.00 0.00 30.24 25.67 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2jpf h GLY 31 N -1.96 0.00 0.91 1.08 0.00 -1.62 0.36 103.07 101.84 2jpf h GLY 31 Ca -0.60 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 2jpf h GLY 31 CO 0.59 0.00 -0.39 1.29 0.00 0.00 0.00 176.54 178.03 2jpf h ASP 32 N 0.00 -0.92 1.13 0.19 3.04 -1.87 -1.79 116.42 116.19 2jpf h ASP 32 Ca 0.45 0.02 -0.15 0.00 -3.24 0.00 0.00 57.03 54.11 2jpf h ASP 32 Cb 2.75 0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 41.25 2jpf h ASP 32 CO -0.00 -0.60 -0.92 -0.37 -2.04 0.00 0.00 179.24 175.31 2jpf h VAL 33 N -1.19 0.89 -0.47 4.15 -1.51 -1.07 -2.91 116.25 114.14 2jpf h VAL 33 Ca -0.11 -2.37 -0.04 0.00 -1.23 0.00 0.00 66.70 62.95 2jpf h VAL 33 Cb 0.84 2.37 -0.02 0.00 -2.13 0.00 0.00 31.29 32.35 2jpf h VAL 33 CO 0.18 0.51 0.11 0.50 -1.23 0.00 0.00 177.57 177.64 2jpf h LYS 34 N 0.00 0.71 0.00 5.19 3.64 -0.48 -2.56 116.57 123.07 2jpf h LYS 34 Ca -0.07 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2jpf h LYS 34 Cb 1.54 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2jpf h LYS 34 CO 0.07 0.65 -0.98 1.33 -2.27 0.00 0.00 179.45 178.25 2jpf n VAL 35 N -4.30 0.51 -0.45 2.00 0.24 -0.68 -4.12 118.33 111.54 2jpf n VAL 35 Ca 0.03 -0.47 0.41 0.00 -2.04 0.00 0.00 64.34 62.27 2jpf n VAL 35 Cb 0.21 -0.24 0.72 0.00 -1.47 0.00 0.00 33.84 33.06 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 0.00 0.00 6.34 2.91 -1.24 0.47 115.95 124.43 2jpf h TRP 36 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2jpf h TRP 36 Cb 0.93 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2jpf h TRP 36 CO 0.00 0.00 -0.31 0.00 -1.03 0.00 0.00 178.44 177.10 2jpf h MET 37 N 0.00 0.00 -0.99 2.65 -0.00 -1.72 -3.33 114.93 111.54 2jpf h MET 37 Ca 0.70 0.00 0.26 0.00 -0.00 0.00 0.00 59.70 60.65 2jpf h MET 37 Cb 3.04 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 34.57 2jpf h MET 37 CO -0.01 0.00 0.67 -0.56 -0.00 0.00 0.00 176.91 177.01 2jpf h GLN 38 N -0.89 0.26 -0.01 -0.10 -0.00 -1.43 0.65 115.11 113.60 2jpf h GLN 38 Ca 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2jpf h GLN 38 Cb 0.31 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 27.71 2jpf h GLN 38 CO 0.00 0.17 -0.07 -0.91 -0.00 0.00 0.00 178.83 178.02 2jpf h ASN 39 N 0.27 -0.21 1.44 0.06 2.35 -0.29 -2.67 115.58 116.53 2jpf h ASN 39 Ca 0.52 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 56.23 2jpf h ASN 39 Cb 1.54 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.99 2jpf h ASN 39 CO -0.16 -0.11 -0.58 -0.07 -1.65 0.00 0.00 177.43 174.86 2jpf h LEU 40 N -0.13 0.00 -0.41 1.61 3.38 -1.19 -3.09 115.31 115.48 2jpf h LEU 40 Ca 0.03 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2jpf h LEU 40 Cb 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2jpf h LEU 40 CO -0.08 0.33 0.07 -0.08 0.09 0.00 0.00 178.44 178.77 2jpf h GLU 41 N 0.00 0.19 0.01 1.13 4.81 0.56 0.60 114.58 121.88 2jpf h GLU 41 Ca -0.03 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jpf h GLU 41 Cb 1.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2jpf h GLU 41 CO 0.04 0.12 -0.00 0.22 -0.73 0.00 0.00 179.01 178.66 2jpf h ASP 42 N 0.19 -0.01 0.33 1.04 3.58 -1.60 -3.27 116.42 116.68 2jpf h ASP 42 Ca 0.20 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 2jpf h ASP 42 Cb 0.25 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2jpf h ASP 42 CO -0.27 0.74 -0.51 0.25 -2.88 0.00 0.00 179.24 176.57 2jpf h LEU 43 N -0.99 -1.45 -1.33 2.28 7.12 -1.52 -1.37 115.31 118.05 2jpf h LEU 43 Ca -0.00 0.13 0.41 0.00 0.13 0.00 0.00 57.88 58.55 2jpf h LEU 43 Cb 0.52 0.51 -0.13 0.00 -0.53 0.00 0.00 40.66 41.02 2jpf h LEU 43 CO 0.00 -0.61 0.78 -0.74 -0.13 0.00 0.00 178.44 177.74 2jpf h HIS 44 N -0.89 0.60 -0.92 1.25 2.76 0.17 0.89 115.15 119.02 2jpf h HIS 44 Ca -0.03 0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.25 2jpf h HIS 44 Cb 0.82 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.56 2jpf h HIS 44 CO -0.34 -0.21 0.56 1.15 -1.30 0.00 0.00 177.93 177.80 2jpf h THR 45 N 0.12 0.98 0.00 6.26 2.02 -1.29 -3.32 112.91 117.69 2jpf h THR 45 Ca 0.80 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.65 2jpf h THR 45 Cb 2.38 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2jpf h THR 45 CO -0.46 0.18 -0.33 -1.14 0.37 0.00 0.00 175.52 174.14 2jpf n ARG 46 N -4.63 0.23 -3.97 6.66 0.00 0.28 -4.92 116.66 110.32 2jpf n ARG 46 Ca 0.15 0.28 -0.34 0.00 -0.00 0.00 0.00 57.85 57.94 2jpf n ARG 46 Cb 0.25 -1.11 -0.14 0.00 0.00 0.00 0.00 32.46 31.46 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2jpf s ARG 47 N -1.71 2.69 0.21 -0.14 6.06 0.41 -4.99 118.95 121.49 2jpf s ARG 47 Ca -0.09 -1.07 -0.03 0.00 -2.50 0.00 0.00 55.73 52.04 2jpf s ARG 47 Cb 0.01 -3.00 0.17 0.00 0.06 0.00 0.00 34.95 32.20 2jpf s ARG 47 CO 0.14 -0.46 1.57 -1.00 -2.50 0.00 0.00 175.30 173.05 2jpf h PRO 48 N 7.98 0.61 0.02 5.12 0.13 -1.78 -1.90 132.00 142.19 2jpf h PRO 48 Ca -0.29 -0.32 -0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2jpf h PRO 48 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2jpf h PRO 48 CO 0.56 0.92 -0.01 0.22 -0.23 0.00 0.00 178.00 179.45 2jpf h ASP 49 N 0.49 -0.03 0.61 1.44 3.58 -1.94 -2.95 116.42 117.62 2jpf h ASP 49 Ca 0.04 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2jpf h ASP 49 Cb 0.94 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2jpf h ASP 49 CO 0.08 0.43 0.00 -0.62 -2.88 0.00 0.00 179.24 176.26 2jpf n GLU 50 N -4.89 0.09 -0.41 0.28 4.71 -1.23 -3.37 120.64 115.83 2jpf n GLU 50 Ca -0.08 0.34 0.34 0.00 -0.01 0.00 0.00 57.16 57.74 2jpf n GLU 50 Cb 0.24 -1.68 0.61 0.00 -1.01 0.00 0.00 31.44 29.60 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 0.62 0.00 -0.32 -0.00 -1.15 1.88 116.94 117.97 2jpf h PHE 51 Ca 0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 57.97 57.86 2jpf h PHE 51 Cb 0.30 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 36.08 2jpf h PHE 51 CO 0.00 -0.22 -0.68 0.00 -0.00 0.00 0.00 178.31 177.40 2jpf h THR 52 N 0.12 1.08 0.00 0.88 1.03 -1.77 -3.23 112.91 111.03 2jpf h THR 52 Ca 0.80 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 64.66 2jpf h THR 52 Cb 2.36 2.53 0.00 0.00 -1.07 0.00 0.00 68.15 71.97 2jpf h THR 52 CO -0.48 0.62 0.15 0.00 -0.01 0.00 0.00 175.52 175.79 2jpf h ALA 53 N 1.36 1.14 0.00 0.00 0.00 0.28 0.93 119.26 122.96 2jpf h ALA 53 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jpf h ALA 53 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2jpf h ALA 53 CO 0.08 -0.14 -0.02 -0.09 0.00 0.00 0.00 179.25 179.08 2jpf h ARG 54 N 0.00 0.00 -0.44 0.00 2.43 -1.55 -3.32 114.38 111.50 2jpf h ARG 54 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2jpf h ARG 54 Cb 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2jpf h ARG 54 CO 0.00 0.00 -0.25 1.37 -1.51 0.00 0.00 179.97 179.58 2jpf h LEU 55 N -0.49 0.99 -0.98 3.80 -0.00 -1.67 -3.07 115.31 113.89 2jpf h LEU 55 Ca 0.00 -0.41 0.30 0.00 -0.00 0.00 0.00 57.88 57.77 2jpf h LEU 55 Cb 0.02 -0.27 -0.15 0.00 -0.00 0.00 0.00 40.66 40.26 2jpf h LEU 55 CO 0.00 1.18 0.51 -0.61 -0.00 0.00 0.00 178.44 179.52 2jpf h GLN 56 N 0.79 0.31 -0.53 0.17 5.75 0.69 0.99 115.11 123.27 2jpf h GLN 56 Ca 0.09 -0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 2jpf h GLN 56 Cb 0.83 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 2jpf h GLN 56 CO 0.07 0.20 0.36 1.96 -2.65 0.00 0.00 178.83 178.77 2jpf h GLN 57 N 0.32 0.39 0.00 1.69 4.20 -1.63 -1.38 115.11 118.70 2jpf h GLN 57 Ca 0.70 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.38 2jpf h GLN 57 Cb 1.54 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.23 2jpf h GLN 57 CO -0.61 0.26 -0.13 0.77 -0.67 0.00 0.00 178.83 178.45 2jpf h SER 58 N 0.41 0.00 -0.17 1.46 0.02 0.81 -3.34 113.55 112.74 2jpf h SER 58 Ca 0.24 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 2jpf h SER 58 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2jpf h SER 58 CO -0.06 0.44 0.75 0.74 -1.14 0.00 0.00 176.83 177.56 2jpf h THR 59 N -0.74 0.03 -0.78 -2.27 2.02 -1.14 0.52 112.91 110.54 2jpf h THR 59 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jpf h THR 59 Cb 0.13 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 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 0.92 -0.17 4.18 3.58 -1.36 0.39 116.42 123.95 2jpf h ASP 60 Ca 0.08 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2jpf h ASP 60 Cb 1.57 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 2jpf h ASP 60 CO -0.00 0.69 0.06 0.00 -2.88 0.00 0.00 179.24 177.11 2jpf h ALA 61 N 1.47 0.23 -0.11 -0.78 0.00 -0.14 -1.42 119.26 118.50 2jpf h ALA 61 Ca 0.28 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2jpf h ALA 61 Cb -0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2jpf h ALA 61 CO -0.06 -0.16 -0.64 1.25 0.00 0.00 0.00 179.25 179.64 2jpf h LEU 62 N 0.11 0.49 -0.32 0.00 5.85 -1.58 0.58 115.31 120.43 2jpf h LEU 62 Ca 0.06 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2jpf h LEU 62 Cb 0.21 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2jpf h LEU 62 CO -0.00 1.00 0.17 0.22 -0.34 0.00 0.00 178.44 179.49 2jpf h TYR 63 N 0.31 0.44 0.18 1.25 5.03 -0.11 -2.52 116.97 121.55 2jpf h TYR 63 Ca -0.01 -0.01 -0.34 0.00 2.58 0.00 0.00 58.73 60.94 2jpf h TYR 63 Cb 1.18 -0.14 0.01 0.00 1.55 0.00 0.00 36.73 39.33 2jpf h TYR 63 CO 0.04 0.36 -1.70 1.03 -1.32 0.00 0.00 178.16 176.57 2jpf h SER 64 N 0.39 0.61 -0.75 -2.11 0.87 -1.27 -3.12 113.55 108.17 2jpf h SER 64 Ca 0.11 -0.87 0.17 0.00 -1.23 0.00 0.00 61.79 59.97 2jpf h SER 64 Cb 0.07 -0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 61.71 2jpf h SER 64 CO -0.02 1.73 0.11 -0.74 -0.53 0.00 0.00 176.83 177.38 2jpf h HIS 65 N 0.11 0.14 0.20 2.24 -0.00 0.17 0.72 115.15 118.73 2jpf h HIS 65 Ca -0.32 0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 2jpf h HIS 65 Cb 2.10 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 29.56 2jpf h HIS 65 CO 0.10 -0.16 -0.10 1.25 -0.00 0.00 0.00 177.93 179.02 2jpf h LEU 66 N 0.19 -0.23 -1.45 0.26 5.85 -1.59 0.58 115.31 118.92 2jpf h LEU 66 Ca 0.42 -0.27 0.22 0.00 0.84 0.00 0.00 57.88 59.09 2jpf h LEU 66 Cb 0.75 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 2jpf h LEU 66 CO -0.58 0.30 0.62 -0.08 -0.34 0.00 0.00 178.44 178.36 2jpf h GLU 67 N -0.92 0.41 0.00 1.25 4.81 -1.37 1.62 114.58 120.38 2jpf h GLU 67 Ca -0.03 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2jpf h GLU 67 Cb 0.49 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2jpf h GLU 67 CO 0.05 0.27 -0.34 0.00 -0.73 0.00 0.00 179.01 178.26 2jpf h ALA 68 N 1.61 0.02 0.32 2.92 0.00 0.41 -2.89 119.26 121.63 2jpf h ALA 68 Ca 0.51 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jpf h ALA 68 Cb 1.24 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jpf h ALA 68 CO -0.21 0.31 -0.15 0.37 0.00 0.00 0.00 179.25 179.56 2jpf h GLN 69 N -1.00 -0.41 0.00 0.00 5.75 0.37 -2.60 115.11 117.22 2jpf h GLN 69 Ca -0.02 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2jpf h GLN 69 Cb 0.38 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 2jpf h GLN 69 CO -0.01 -0.23 -0.15 2.35 -2.65 0.00 0.00 178.83 178.13 2jpf h TRP 70 N -0.49 0.00 -1.02 3.99 7.01 0.23 -2.73 115.95 122.94 2jpf h TRP 70 Ca -0.04 0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.22 2jpf h TRP 70 Cb 0.37 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 27.31 2jpf h TRP 70 CO -0.04 0.15 0.62 0.00 -2.79 0.00 0.00 178.44 176.39 2jpf h ALA 71 N 1.85 1.95 -0.61 2.65 0.00 -1.24 0.53 119.26 124.39 2jpf h ALA 71 Ca -0.00 0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.20 2jpf h ALA 71 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jpf h ALA 71 CO 0.02 -0.42 0.49 0.87 0.00 0.00 0.00 179.25 180.21 2jpf h LYS 72 N 0.50 0.00 0.95 0.00 1.79 -1.55 0.03 116.57 118.29 2jpf h LYS 72 Ca 0.65 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 59.07 2jpf h LYS 72 Cb 1.37 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.03 2jpf h LYS 72 CO -0.44 0.00 -0.46 1.96 -1.08 0.00 0.00 179.45 179.43 2jpf h GLN 73 N 0.00 -1.23 0.00 3.15 1.08 -0.12 -3.44 115.11 114.55 2jpf h GLN 73 Ca 0.29 0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2jpf h GLN 73 Cb 1.26 0.28 0.00 0.00 -0.05 0.00 0.00 27.48 28.97 2jpf h GLN 73 CO -0.00 -0.82 -0.30 0.72 -0.95 0.00 0.00 178.83 177.47 2jpf n HIS 74 N -5.54 -0.48 0.00 2.96 8.25 -0.82 -5.04 115.22 114.55 2jpf n HIS 74 Ca -0.16 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2jpf n HIS 74 Cb 0.50 0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.90 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 2.26 2.15 0.08 -1.41 0.00 -0.07 -4.88 105.19 103.33 2jpf n GLY 75 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.56 0.00 2.61 1.35 -1.96 -3.38 112.91 112.08 2jpf h THR 76 Ca 0.00 -1.62 -0.08 0.00 -0.55 0.00 0.00 66.41 64.16 2jpf h THR 76 Cb 0.00 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 2jpf h THR 76 CO 0.00 0.19 -0.36 1.55 -0.25 0.00 0.00 175.52 176.65 2jpf h PRO 77 N -1.00 0.00 -5.86 4.72 0.13 -1.98 -3.41 132.00 124.60 2jpf h PRO 77 Ca -0.15 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.58 2jpf h PRO 77 Cb 0.84 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 2jpf h PRO 77 CO -0.09 0.36 1.07 -1.25 -0.23 0.00 0.00 178.00 177.87 2jpf s PRO 78 N -3.86 2.60 -0.06 1.56 0.04 -1.26 -4.59 135.00 129.43 2jpf s PRO 78 Ca -0.01 0.19 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 2jpf s PRO 78 Cb 0.12 -4.70 0.02 0.00 0.04 0.00 0.00 34.50 29.99 2jpf s PRO 78 CO 0.69 -3.02 0.28 0.99 0.04 0.00 0.00 177.00 175.98 2jpf s THR 79 N 9.52 0.03 0.61 1.26 2.01 -1.26 -4.91 115.64 122.90 2jpf s THR 79 Ca 0.68 -0.26 0.25 0.00 0.31 0.00 0.00 61.69 62.68 2jpf s THR 79 Cb -0.10 -0.49 0.36 0.00 0.01 0.00 0.00 72.50 72.28 2jpf s THR 79 CO 0.11 -0.14 1.39 0.00 -0.69 0.00 0.00 174.62 175.29 2jpf h ALA 80 N 4.86 2.75 -0.15 7.40 0.00 -1.92 1.53 119.26 133.73 2jpf h ALA 80 Ca -0.28 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.38 2jpf h ALA 80 Cb 1.19 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jpf h ALA 80 CO 0.36 -1.51 -0.78 0.77 0.00 0.00 0.00 179.25 178.08 2jpf h SER 81 N 0.00 0.93 0.00 0.00 0.02 -1.94 -3.22 113.55 109.34 2jpf h SER 81 Ca 0.41 -0.61 -0.28 0.00 -0.84 0.00 0.00 61.79 60.46 2jpf h SER 81 Cb 2.54 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 64.76 2jpf h SER 81 CO -0.00 1.41 -1.56 0.47 -1.14 0.00 0.00 176.83 176.01 2jpf n ASP 82 N -3.93 1.88 -0.41 3.07 8.00 0.47 -4.26 116.55 121.37 2jpf n ASP 82 Ca -0.07 0.40 0.36 0.00 0.71 0.00 0.00 54.79 56.19 2jpf n ASP 82 Cb 0.75 -0.93 0.64 0.00 -0.02 0.00 0.00 41.12 41.56 2jpf n ASP 82 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jpf h VAL 83 N -1.00 0.03 -0.90 2.53 2.07 -0.19 2.30 116.25 121.10 2jpf h VAL 83 Ca -0.43 -0.01 0.23 0.00 0.82 0.00 0.00 66.70 67.31 2jpf h VAL 83 Cb 1.37 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.01 2jpf h VAL 83 CO -0.26 0.01 0.39 -0.37 0.02 0.00 0.00 177.57 177.35 2jpf h VAL 84 N 0.03 0.45 0.00 2.57 -1.51 -1.73 -3.08 116.25 112.97 2jpf h VAL 84 Ca 0.86 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 66.20 2jpf h VAL 84 Cb 2.56 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2jpf h VAL 84 CO -0.57 0.07 -0.20 0.61 -1.23 0.00 0.00 177.57 176.25 2jpf n GLY 85 N -1.34 -0.48 0.11 5.19 0.00 0.22 -4.46 105.19 104.44 2jpf n GLY 85 Ca 0.23 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.22 0.00 1.61 4.05 0.36 -3.42 114.93 117.75 2jpf h MET 86 Ca 0.00 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2jpf h MET 86 Cb 1.11 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2jpf h MET 86 CO 0.00 0.79 0.00 -0.35 0.23 0.00 0.00 176.91 177.58 2jpf n PRO 87 N -4.57 0.47 -0.05 0.39 -0.04 -1.26 -4.93 135.00 125.01 2jpf n PRO 87 Ca -0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 2jpf n PRO 87 Cb 0.42 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.75 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 0.04 -0.11 0.54 3.07 -1.95 -3.24 115.11 113.47 2jpf h GLN 88 Ca 0.00 -0.05 0.03 0.00 0.09 0.00 0.00 58.65 58.72 2jpf h GLN 88 Cb 0.00 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.57 2jpf h GLN 88 CO 0.00 0.94 0.74 0.11 0.09 0.00 0.00 178.83 180.71 2jpf h TRP 89 N -0.84 0.00 -0.89 0.06 0.09 -1.94 -1.52 115.95 110.91 2jpf h TRP 89 Ca -0.01 0.00 0.20 0.00 0.09 0.00 0.00 58.89 59.17 2jpf h TRP 89 Cb 0.98 0.00 -0.17 0.00 0.08 0.00 0.00 29.16 30.05 2jpf h TRP 89 CO 0.24 0.00 -0.10 -0.56 0.09 0.00 0.00 178.44 178.11 2jpf h GLN 90 N 0.00 0.03 0.00 0.12 -0.00 -1.77 0.50 115.11 113.99 2jpf h GLN 90 Ca 0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 2jpf h GLN 90 Cb 1.52 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 29.00 2jpf h GLN 90 CO -0.00 0.02 -0.22 1.49 -0.00 0.00 0.00 178.83 180.12 2jpf h GLU 91 N 0.03 0.00 -0.86 0.06 4.81 -1.54 -3.34 114.58 113.73 2jpf h GLU 91 Ca 0.47 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.83 2jpf h GLU 91 Cb 0.83 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.07 2jpf h GLU 91 CO -0.87 0.10 -0.41 1.88 -0.73 0.00 0.00 179.01 178.98 2jpf h TYR 92 N -1.00 -1.20 -1.15 0.92 0.05 -1.58 0.98 116.97 113.98 2jpf h TYR 92 Ca -0.01 0.10 0.33 0.00 0.05 0.00 0.00 58.73 59.19 2jpf h TYR 92 Cb 0.28 0.65 -0.09 0.00 1.01 0.00 0.00 36.73 38.58 2jpf h TYR 92 CO -0.05 -0.40 0.76 0.00 -1.05 0.00 0.00 178.16 177.42 2jpf h THR 93 N -0.07 0.40 0.06 -2.88 1.03 -0.18 -0.61 112.91 110.67 2jpf h THR 93 Ca 0.28 -0.08 -0.15 0.00 -0.01 0.00 0.00 66.41 66.45 2jpf h THR 93 Cb 0.56 0.15 -0.00 0.00 -1.07 0.00 0.00 68.15 67.79 2jpf h THR 93 CO -0.88 0.04 -0.73 0.00 -0.01 0.00 0.00 175.52 173.93 2jpf h ALA 94 N 1.56 0.07 -0.36 0.00 0.00 0.67 -3.31 119.26 117.89 2jpf h ALA 94 Ca 0.64 -0.81 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2jpf h ALA 94 Cb 1.95 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 2jpf h ALA 94 CO -0.25 0.40 0.89 0.52 0.00 0.00 0.00 179.25 180.81 2jpf h MET 95 N -0.71 0.00 0.28 0.00 2.07 0.11 0.47 114.93 117.16 2jpf h MET 95 Ca -0.17 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.45 2jpf h MET 95 Cb 1.37 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.10 2jpf h MET 95 CO 0.01 0.00 -0.14 -0.07 1.07 0.00 0.00 176.91 177.78 2jpf h LEU 96 N 0.00 -0.32 0.20 1.22 3.38 -1.56 0.40 115.31 118.63 2jpf h LEU 96 Ca 0.17 -0.21 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 2jpf h LEU 96 Cb 1.96 0.08 0.02 0.00 0.09 0.00 0.00 40.66 42.81 2jpf h LEU 96 CO -0.00 0.10 -1.41 0.08 0.09 0.00 0.00 178.44 177.30 2jpf h ARG 97 N -0.82 0.42 0.06 1.13 0.11 -0.66 -1.18 114.38 113.44 2jpf h ARG 97 Ca -0.04 -0.72 -0.00 0.00 0.10 0.00 0.00 59.98 59.32 2jpf h ARG 97 Cb 0.51 0.27 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2jpf h ARG 97 CO 0.06 1.34 -0.03 1.49 0.10 0.00 0.00 179.97 182.94 2jpf h GLU 98 N -0.03 -0.08 -0.78 0.08 4.57 -0.41 -3.32 114.58 114.61 2jpf h GLU 98 Ca -0.26 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 57.78 2jpf h GLU 98 Cb 2.00 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 30.52 2jpf h GLU 98 CO 0.20 0.41 0.18 -2.13 -1.18 0.00 0.00 179.01 176.49 2jpf n ARG 99 N -4.78 3.40 -0.24 1.92 3.00 0.11 -4.58 116.66 115.48 2jpf n ARG 99 Ca -0.06 -2.48 0.29 0.00 -0.00 0.00 0.00 57.85 55.60 2jpf n ARG 99 Cb 0.26 -2.06 0.45 0.00 0.00 0.00 0.00 32.46 31.11 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 0.05 0.00 -0.25 -0.14 -1.74 0.55 0.75 117.46 116.67 2jpf n PHE 100 Ca 0.31 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 57.22 2jpf n PHE 100 Cb 1.16 -0.27 0.15 0.00 1.52 0.00 0.00 39.48 42.04 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jpf h ALA 101 N 0.54 1.02 0.00 1.98 0.00 -1.82 0.59 119.26 121.57 2jpf h ALA 101 Ca 0.51 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 2jpf h ALA 101 Cb 2.94 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.69 2jpf h ALA 101 CO -0.01 -0.05 -0.01 0.78 0.00 0.00 0.00 179.25 179.96 2jpf h GLY 102 N 0.60 0.00 -7.42 0.00 0.00 0.02 -3.40 103.07 92.87 2jpf h GLY 102 Ca 0.37 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.20 2jpf h GLY 102 CO -0.28 0.00 1.49 1.08 0.00 0.00 0.00 176.54 178.83 2jpf s LEU 103 N -7.17 3.38 -0.14 3.11 1.43 0.20 -4.93 118.68 114.57 2jpf s LEU 103 Ca -0.05 0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2jpf s LEU 103 Cb 0.14 -2.73 0.04 0.00 0.03 0.00 0.00 46.19 43.66 2jpf s LEU 103 CO 0.51 -2.50 -0.05 -1.81 0.23 0.00 0.00 176.35 172.73 2jpf s ASP 104 N 9.82 2.50 -0.90 2.29 1.11 -1.26 -4.79 116.67 125.45 2jpf s ASP 104 Ca 0.86 -0.49 -0.04 0.00 0.18 0.00 0.00 52.55 53.06 2jpf s ASP 104 Cb -0.18 -0.83 0.03 0.00 1.07 0.00 0.00 42.92 43.01 2jpf s ASP 104 CO 0.26 -0.17 0.16 1.07 1.18 0.00 0.00 175.17 177.67 2jpf n THR 105 N 4.93 -0.54 0.00 -1.27 5.66 -1.26 -5.27 114.28 116.53 2jpf n THR 105 Ca -0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2jpf n THR 105 Cb 0.49 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 2jpf n THR 105 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02