#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 0.63 -1.36 -1.58 1.11 -1.26 -4.88 119.66 112.33 2jpf s GLN 2 Ca 0.00 -1.14 -0.08 0.00 0.01 0.00 0.00 55.36 54.15 2jpf s GLN 2 Cb 0.00 0.22 0.02 0.00 -1.01 0.00 0.00 33.01 32.24 2jpf s GLN 2 CO 0.00 -0.13 1.12 1.04 0.01 0.00 0.00 175.29 177.33 2jpf n GLN 3 N 0.17 -7.39 -2.59 2.91 6.02 -1.26 -4.97 117.38 110.28 2jpf n GLN 3 Ca -0.15 0.80 -0.33 0.00 -0.01 0.00 0.00 57.00 57.31 2jpf n GLN 3 Cb 0.61 -5.81 -0.05 0.00 1.02 0.00 0.00 30.24 26.01 2jpf n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jpf s LEU 4 N -7.15 3.82 -0.13 1.08 1.02 -1.26 -5.00 118.68 111.05 2jpf s LEU 4 Ca 0.49 1.75 -0.21 0.00 0.02 0.00 0.00 54.13 56.18 2jpf s LEU 4 Cb -0.22 -4.54 -0.25 0.00 0.02 0.00 0.00 46.19 41.20 2jpf s LEU 4 CO 0.75 -0.60 0.56 1.56 0.02 0.00 0.00 176.35 178.63 2jpf h GLN 5 N 1.49 0.13 -0.78 1.70 7.50 -1.93 -3.39 115.11 119.84 2jpf h GLN 5 Ca -0.49 -0.22 0.07 0.00 0.50 0.00 0.00 58.65 58.51 2jpf h GLN 5 Cb 1.20 0.08 -0.09 0.00 0.05 0.00 0.00 27.48 28.72 2jpf h GLN 5 CO 0.60 1.11 -0.46 0.39 -1.50 0.00 0.00 178.83 178.97 2jpf n GLU 6 N -4.23 -0.34 -0.34 1.46 1.02 -1.26 0.24 120.64 117.19 2jpf n GLU 6 Ca -0.22 1.25 0.02 0.00 -0.02 0.00 0.00 57.16 58.19 2jpf n GLU 6 Cb 0.74 -1.84 0.08 0.00 -0.02 0.00 0.00 31.44 30.41 2jpf n GLU 6 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jpf n HIS 7 N -4.88 0.18 -1.35 -0.32 8.25 -1.26 -4.42 115.22 111.42 2jpf n HIS 7 Ca 0.02 1.13 -0.32 0.00 -0.26 0.00 0.00 57.72 58.29 2jpf n HIS 7 Cb 0.20 -0.94 0.09 0.00 1.12 0.00 0.00 29.99 30.46 2jpf n HIS 7 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jpf s ALA 8 N -6.01 2.26 0.03 -1.41 0.00 0.14 -4.98 121.76 111.79 2jpf s ALA 8 Ca -0.13 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 2jpf s ALA 8 Cb 0.22 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.89 2jpf s ALA 8 CO 0.69 -1.71 1.34 -1.00 0.00 0.00 0.00 175.76 175.07 2jpf h PRO 9 N -0.87 0.33 -6.23 0.00 0.13 -1.79 -3.46 132.00 120.11 2jpf h PRO 9 Ca -0.44 -0.17 -0.48 0.00 -0.87 0.00 0.00 66.00 64.03 2jpf h PRO 9 Cb 1.24 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2jpf h PRO 9 CO 0.51 0.72 -0.43 -1.54 -0.23 0.00 0.00 178.00 177.04 2jpf s SER 10 N -6.10 5.61 -0.04 1.44 1.04 -1.26 -5.07 113.70 109.32 2jpf s SER 10 Ca -0.14 -0.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.93 2jpf s SER 10 Cb 0.05 -1.20 -0.03 0.00 0.10 0.00 0.00 66.02 64.94 2jpf s SER 10 CO 0.75 -0.29 0.26 0.45 0.98 0.00 0.00 173.24 175.39 2jpf h HIS 11 N 1.19 -0.15 -2.52 5.02 3.86 -1.89 -3.47 115.15 117.19 2jpf h HIS 11 Ca -0.46 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.65 2jpf h HIS 11 Cb 1.25 0.05 -0.24 0.00 1.06 0.00 0.00 27.41 29.53 2jpf h HIS 11 CO 0.50 -0.10 -0.16 0.00 0.86 0.00 0.00 177.93 179.04 2jpf s ALA 12 N -3.14 -1.24 0.31 2.45 0.00 -1.26 -4.93 121.76 113.95 2jpf s ALA 12 Ca -0.02 1.51 0.07 0.00 0.00 0.00 0.00 51.96 53.51 2jpf s ALA 12 Cb 0.00 -0.89 0.78 0.00 0.00 0.00 0.00 23.12 23.01 2jpf s ALA 12 CO 0.07 -0.25 1.76 -0.91 0.00 0.00 0.00 175.76 176.43 2jpf h ASN 13 N 5.85 0.72 -0.45 0.00 2.35 -2.03 0.28 115.58 122.30 2jpf h ASN 13 Ca -0.30 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 2jpf h ASN 13 Cb 1.18 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 2jpf h ASN 13 CO 0.21 0.21 0.25 0.17 -1.65 0.00 0.00 177.43 176.62 2jpf h LEU 14 N 0.68 0.58 -8.87 1.61 8.10 -1.99 -3.40 115.31 112.02 2jpf h LEU 14 Ca 0.59 -0.04 -0.56 0.00 0.11 0.00 0.00 57.88 57.98 2jpf h LEU 14 Cb 1.00 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 41.07 2jpf h LEU 14 CO -0.42 0.48 1.48 -1.81 -4.11 0.00 0.00 178.44 174.06 2jpf s ASP 15 N -6.62 5.33 -0.15 0.17 1.11 1.00 -4.93 116.67 112.59 2jpf s ASP 15 Ca -0.09 1.57 -0.04 0.00 0.18 0.00 0.00 52.55 54.17 2jpf s ASP 15 Cb 0.17 -2.51 0.07 0.00 1.07 0.00 0.00 42.92 41.72 2jpf s ASP 15 CO 0.75 -2.11 0.25 -0.69 1.18 0.00 0.00 175.17 174.55 2jpf s VAL 16 N 8.82 -0.39 0.64 -1.27 1.01 -1.26 -4.84 120.40 123.12 2jpf s VAL 16 Ca 0.95 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.94 2jpf s VAL 16 Cb -0.27 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2jpf s VAL 16 CO 0.33 0.03 0.79 2.29 0.00 0.00 0.00 175.10 178.54 2jpf n LYS 17 N 5.34 0.62 -0.46 2.72 2.85 -1.26 -4.94 118.16 123.03 2jpf n LYS 17 Ca -0.06 0.25 -0.22 0.00 -1.05 0.00 0.00 58.31 57.24 2jpf n LYS 17 Cb 0.50 -2.02 0.19 0.00 -0.65 0.00 0.00 35.03 33.05 2jpf n LYS 17 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 2jpf n TRP 18 N -2.02 -2.64 -0.06 5.58 2.14 -1.26 -4.90 117.44 114.28 2jpf n TRP 18 Ca 0.13 -0.21 -0.12 0.00 2.07 0.00 0.00 57.50 59.36 2jpf n TRP 18 Cb 0.48 -1.39 0.00 0.00 -0.81 0.00 0.00 31.31 29.59 2jpf n TRP 18 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 2jpf h LEU 19 N -2.91 0.86-10.12 5.67 5.85 -1.79 -3.43 115.31 109.45 2jpf h LEU 19 Ca -0.31 -0.44 -0.53 0.00 0.84 0.00 0.00 57.88 57.45 2jpf h LEU 19 Cb 0.95 -0.25 0.12 0.00 0.37 0.00 0.00 40.66 41.85 2jpf h LEU 19 CO 0.20 1.21 0.45 -0.62 -0.34 0.00 0.00 178.44 179.33 2jpf s ASP 20 N -6.91 5.06 -0.49 1.25 -1.08 -1.26 -4.00 116.67 109.23 2jpf s ASP 20 Ca -0.10 2.35 -0.23 0.00 -0.52 0.00 0.00 52.55 54.06 2jpf s ASP 20 Cb 0.11 -2.59 0.03 0.00 -1.46 0.00 0.00 42.92 39.01 2jpf s ASP 20 CO 0.87 -1.68 0.55 0.61 0.52 0.00 0.00 175.17 176.04 2jpf n GLY 21 N 0.40 -0.25 3.79 2.66 0.00 -1.26 -4.95 105.19 105.58 2jpf n GLY 21 Ca 0.13 0.84 -0.25 0.00 0.00 0.00 0.00 46.02 46.74 2jpf n GLY 21 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jpf s LEU 22 N -2.89 3.76 0.12 0.99 2.96 -1.26 -4.91 118.68 117.45 2jpf s LEU 22 Ca 0.22 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 2jpf s LEU 22 Cb -0.02 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2jpf s LEU 22 CO 0.75 0.03 -0.19 -0.13 -1.32 0.00 0.00 176.35 175.49 2jpf s ARG 23 N -3.35 1.13 0.56 1.98 1.81 -1.26 -5.00 118.95 114.82 2jpf s ARG 23 Ca 0.31 -1.21 0.46 0.00 -1.72 0.00 0.00 55.73 53.58 2jpf s ARG 23 Cb -0.09 -1.31 1.64 0.00 -0.45 0.00 0.00 34.95 34.74 2jpf s ARG 23 CO 0.23 0.29 1.59 0.00 -0.68 0.00 0.00 175.30 176.74 2jpf h ALA 24 N 3.87 3.66 -0.73 2.13 0.00 -2.02 -1.21 119.26 124.96 2jpf h ALA 24 Ca -0.45 -0.06 0.30 0.00 0.00 0.00 0.00 54.91 54.71 2jpf h ALA 24 Cb 1.19 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 2jpf h ALA 24 CO 0.43 -2.20 0.40 0.41 0.00 0.00 0.00 179.25 178.28 2jpf n GLY 25 N -1.88 -0.54 0.19 0.00 0.00 -1.26 0.20 105.19 101.90 2jpf n GLY 25 Ca 0.39 0.58 -0.05 0.00 0.00 0.00 0.00 46.02 46.94 2jpf n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jpf h SER 26 N 0.00 0.37 -6.09 1.61 0.02 -1.65 -3.46 113.55 104.36 2jpf h SER 26 Ca 0.61 0.02 -0.43 0.00 -0.84 0.00 0.00 61.79 61.15 2jpf h SER 26 Cb 1.64 -0.05 0.04 0.00 0.14 0.00 0.00 62.40 64.17 2jpf h SER 26 CO -0.55 0.26 -0.75 0.23 -1.14 0.00 0.00 176.83 174.88 2jpf n MET 27 N -4.87 -6.18 -3.66 3.45 0.00 0.54 -4.98 117.12 101.42 2jpf n MET 27 Ca 0.03 0.69 -0.05 0.00 0.00 0.00 0.00 57.70 58.36 2jpf n MET 27 Cb 0.11 -5.57 -0.07 0.00 0.00 0.00 0.00 33.22 27.68 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jpf s ALA 28 N -3.38 -1.59 0.16 3.04 0.00 -1.26 -5.01 121.76 113.72 2jpf s ALA 28 Ca 0.47 1.96 -0.06 0.00 0.00 0.00 0.00 51.96 54.32 2jpf s ALA 28 Cb -0.22 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2jpf s ALA 28 CO 0.79 -0.73 1.45 1.25 0.00 0.00 0.00 175.76 178.52 2jpf h LEU 29 N 7.86 0.75 -2.99 0.00 5.85 -2.01 -3.20 115.31 121.58 2jpf h LEU 29 Ca -0.20 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.10 2jpf h LEU 29 Cb 1.13 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2jpf h LEU 29 CO 0.13 1.17 0.00 0.00 -0.34 0.00 0.00 178.44 179.40 2jpf n GLN 30 N -3.96 2.90 0.32 1.25 3.00 -1.26 -4.63 117.38 115.00 2jpf n GLN 30 Ca -0.04 -2.28 0.13 0.00 -0.01 0.00 0.00 57.00 54.80 2jpf n GLN 30 Cb 0.63 -1.43 0.67 0.00 0.00 0.00 0.00 30.24 30.11 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2jpf h GLY 31 N 1.99 0.00 0.25 1.08 0.00 -1.94 0.30 103.07 104.74 2jpf h GLY 31 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jpf h GLY 31 CO 0.06 0.00 -0.10 -1.80 0.00 0.00 0.00 176.54 174.70 2jpf h ASP 32 N 0.00 -0.24 1.14 0.19 1.82 -1.84 -3.10 116.42 114.40 2jpf h ASP 32 Ca 0.00 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 2jpf h ASP 32 Cb 0.85 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.92 2jpf h ASP 32 CO 0.00 0.26 -0.13 -0.37 -1.61 0.00 0.00 179.24 177.40 2jpf h VAL 33 N -1.04 0.29 -0.18 2.25 -1.51 -1.67 -2.59 116.25 111.80 2jpf h VAL 33 Ca -0.03 -0.94 -0.10 0.00 -1.23 0.00 0.00 66.70 64.40 2jpf h VAL 33 Cb 0.33 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2jpf h VAL 33 CO 0.05 0.12 -0.31 0.50 -1.23 0.00 0.00 177.57 176.70 2jpf h LYS 34 N 0.00 0.36 0.00 5.19 3.64 -0.54 -2.87 116.57 122.35 2jpf h LYS 34 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2jpf h LYS 34 Cb 0.73 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2jpf h LYS 34 CO 0.02 0.63 -0.99 1.33 -2.27 0.00 0.00 179.45 178.17 2jpf n VAL 35 N -4.10 0.51 -0.35 2.00 0.24 -1.13 -3.80 118.33 111.70 2jpf n VAL 35 Ca -0.01 -0.48 -0.03 0.00 -2.04 0.00 0.00 64.34 61.78 2jpf n VAL 35 Cb 0.42 -0.24 0.01 0.00 -1.47 0.00 0.00 33.84 32.57 2jpf n VAL 35 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 2jpf h TRP 36 N 0.00 -1.20 0.02 6.34 4.06 -1.23 0.20 115.95 124.15 2jpf h TRP 36 Ca 0.00 0.10 -0.15 0.00 2.06 0.00 0.00 58.89 60.91 2jpf h TRP 36 Cb 0.93 0.65 -0.02 0.00 -1.00 0.00 0.00 29.16 29.73 2jpf h TRP 36 CO 0.00 -0.40 -0.79 0.52 -3.56 0.00 0.00 178.44 174.21 2jpf h MET 37 N -0.04 0.04 -1.57 0.49 2.86 -1.75 -3.32 114.93 111.64 2jpf h MET 37 Ca 0.30 -0.07 0.48 0.00 -2.06 0.00 0.00 59.70 58.35 2jpf h MET 37 Cb 0.57 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.15 2jpf h MET 37 CO -0.92 1.03 1.09 -0.56 1.06 0.00 0.00 176.91 178.61 2jpf h GLN 38 N -0.89 0.04 -0.01 1.72 -0.00 -1.57 1.21 115.11 115.60 2jpf h GLN 38 Ca -0.20 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.44 2jpf h GLN 38 Cb 1.26 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 2jpf h GLN 38 CO -0.08 0.03 -0.02 -0.97 -0.00 0.00 0.00 178.83 177.78 2jpf h ASN 39 N 0.04 0.03 1.27 0.06 -0.73 -0.74 -3.21 115.58 112.30 2jpf h ASN 39 Ca 0.83 -0.65 0.00 0.00 1.87 0.00 0.00 56.30 58.35 2jpf h ASN 39 Cb 3.03 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 41.61 2jpf h ASN 39 CO -0.19 0.68 0.00 -0.07 -0.37 0.00 0.00 177.43 177.47 2jpf h LEU 40 N -0.61 0.00 -1.03 0.34 3.38 -0.09 -3.23 115.31 114.06 2jpf h LEU 40 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2jpf h LEU 40 Cb 0.68 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 2jpf h LEU 40 CO 0.01 0.00 0.62 -0.08 0.09 0.00 0.00 178.44 179.07 2jpf h GLU 41 N 0.00 0.76 0.00 1.13 4.22 0.12 1.32 114.58 122.13 2jpf h GLU 41 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2jpf h GLU 41 Cb 0.63 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jpf h GLU 41 CO 0.00 0.50 -0.11 0.22 -2.18 0.00 0.00 179.01 177.44 2jpf h ASP 42 N 0.78 0.00 -0.84 1.04 3.58 -1.71 -3.36 116.42 115.91 2jpf h ASP 42 Ca 0.56 0.00 0.20 0.00 0.42 0.00 0.00 57.03 58.21 2jpf h ASP 42 Cb 0.86 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.86 2jpf h ASP 42 CO -0.36 0.42 0.57 0.25 -2.88 0.00 0.00 179.24 177.24 2jpf h LEU 43 N -0.72 0.31 -1.10 2.28 7.12 -1.64 -0.78 115.31 120.78 2jpf h LEU 43 Ca 0.00 0.03 0.26 0.00 0.13 0.00 0.00 57.88 58.30 2jpf h LEU 43 Cb 0.11 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.18 2jpf h LEU 43 CO 0.00 0.13 1.13 -0.74 -0.13 0.00 0.00 178.44 178.83 2jpf h HIS 44 N 0.31 0.00 -0.66 1.25 2.76 0.16 0.38 115.15 119.36 2jpf h HIS 44 Ca 0.42 0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.78 2jpf h HIS 44 Cb 1.17 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.10 2jpf h HIS 44 CO -0.00 0.00 1.03 0.00 -1.30 0.00 0.00 177.93 177.66 2jpf h THR 45 N 0.00 0.04 0.00 6.26 1.03 -1.36 -3.16 112.91 115.72 2jpf h THR 45 Ca 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.83 2jpf h THR 45 Cb 2.68 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.87 2jpf h THR 45 CO -0.00 0.00 -0.00 -1.14 -0.01 0.00 0.00 175.52 174.36 2jpf n ARG 46 N -3.10 0.00 -3.67 0.00 0.63 0.12 -5.12 116.66 105.54 2jpf n ARG 46 Ca 0.14 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.96 2jpf n ARG 46 Cb 1.24 -0.07 -0.08 0.00 0.45 0.00 0.00 32.46 33.99 2jpf n ARG 46 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2jpf s ARG 47 N -1.10 0.63 0.24 -0.14 1.70 -1.20 -5.05 118.95 114.03 2jpf s ARG 47 Ca -0.00 0.92 0.01 0.00 -0.47 0.00 0.00 55.73 56.19 2jpf s ARG 47 Cb 0.00 0.21 0.27 0.00 -0.57 0.00 0.00 34.95 34.86 2jpf s ARG 47 CO 0.00 -0.12 1.61 -1.00 -1.08 0.00 0.00 175.30 174.71 2jpf h PRO 48 N 6.07 0.45 0.00 3.89 0.13 -1.86 -2.88 132.00 137.80 2jpf h PRO 48 Ca -0.30 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2jpf h PRO 48 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jpf h PRO 48 CO 0.17 0.81 0.18 0.22 -0.23 0.00 0.00 178.00 179.15 2jpf h ASP 49 N 0.37 0.00 0.00 1.44 1.82 -1.97 0.93 116.42 119.00 2jpf h ASP 49 Ca 0.03 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 2jpf h ASP 49 Cb 0.92 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2jpf h ASP 49 CO 0.08 0.00 -0.31 -0.08 -1.61 0.00 0.00 179.24 177.32 2jpf h GLU 50 N 0.00 0.00 0.00 0.28 4.81 -1.93 -3.36 114.58 114.38 2jpf h GLU 50 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jpf h GLU 50 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2jpf h GLU 50 CO 0.00 0.54 0.00 0.35 -0.73 0.00 0.00 179.01 179.17 2jpf h PHE 51 N -1.00 0.00 0.00 0.92 3.57 -1.47 -3.23 116.94 115.73 2jpf h PHE 51 Ca -0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jpf h PHE 51 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2jpf h PHE 51 CO 0.08 0.00 0.43 1.79 -2.23 0.00 0.00 178.31 178.38 2jpf h THR 52 N 0.00 0.00 0.00 4.41 1.35 0.72 0.68 112.91 120.07 2jpf h THR 52 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 2jpf h THR 52 Cb 0.72 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 2jpf h THR 52 CO 0.00 0.00 -0.17 0.00 -0.25 0.00 0.00 175.52 175.10 2jpf h ALA 53 N 1.11 1.03 0.19 6.62 0.00 -1.78 -1.97 119.26 124.45 2jpf h ALA 53 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jpf h ALA 53 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jpf h ALA 53 CO 0.00 0.21 -0.09 -0.09 0.00 0.00 0.00 179.25 179.28 2jpf h ARG 54 N 0.00 -0.24 0.00 0.00 9.65 0.11 -2.94 114.38 120.95 2jpf h ARG 54 Ca -0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2jpf h ARG 54 Cb 0.69 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2jpf h ARG 54 CO 0.02 -0.16 0.00 1.37 2.80 0.00 0.00 179.97 184.00 2jpf h LEU 55 N -0.29 0.00 -1.46 3.80 -0.00 -1.71 -2.57 115.31 113.08 2jpf h LEU 55 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2jpf h LEU 55 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 2jpf h LEU 55 CO 0.04 0.00 -0.10 -0.61 -0.00 0.00 0.00 178.44 177.77 2jpf h GLN 56 N 0.00 0.23 -0.14 0.17 5.75 -1.31 -2.25 115.11 117.56 2jpf h GLN 56 Ca 0.00 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.32 2jpf h GLN 56 Cb 0.36 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 2jpf h GLN 56 CO 0.00 0.34 -0.49 -0.56 -2.65 0.00 0.00 178.83 175.47 2jpf h GLN 57 N 0.22 0.36 0.65 1.69 3.07 -1.27 -2.34 115.11 117.48 2jpf h GLN 57 Ca 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 58.65 58.55 2jpf h GLN 57 Cb 0.32 0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.90 2jpf h GLN 57 CO 0.02 0.77 -0.31 1.03 0.09 0.00 0.00 178.83 180.43 2jpf h SER 58 N 0.29 -0.74 -0.02 0.06 0.87 -1.52 -3.01 113.55 109.47 2jpf h SER 58 Ca 0.01 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2jpf h SER 58 Cb 0.97 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2jpf h SER 58 CO 0.08 -0.37 0.03 0.00 -0.53 0.00 0.00 176.83 176.05 2jpf h THR 59 N -1.16 0.41 -0.49 2.23 1.03 -1.56 -2.87 112.91 110.50 2jpf h THR 59 Ca -0.09 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 66.39 2jpf h THR 59 Cb 0.70 0.97 -0.10 0.00 -1.07 0.00 0.00 68.15 68.65 2jpf h THR 59 CO 0.15 0.00 -0.39 -0.78 -0.01 0.00 0.00 175.52 174.48 2jpf h ASP 60 N 0.00 -1.33 -0.57 0.00 1.82 -1.27 0.15 116.42 115.22 2jpf h ASP 60 Ca 0.01 0.22 0.11 0.00 -0.39 0.00 0.00 57.03 56.99 2jpf h ASP 60 Cb 0.08 0.61 -0.09 0.00 0.68 0.00 0.00 39.33 40.61 2jpf h ASP 60 CO -0.00 -0.34 0.06 0.00 -1.61 0.00 0.00 179.24 177.35 2jpf h ALA 61 N 0.65 0.61 -0.87 -0.78 0.00 -1.62 -0.31 119.26 116.95 2jpf h ALA 61 Ca 0.17 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jpf h ALA 61 Cb 0.56 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2jpf h ALA 61 CO -0.62 -0.35 0.50 1.25 0.00 0.00 0.00 179.25 180.02 2jpf h LEU 62 N 0.18 1.06 0.66 0.00 6.46 -1.21 0.19 115.31 122.64 2jpf h LEU 62 Ca 0.30 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2jpf h LEU 62 Cb 0.46 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2jpf h LEU 62 CO -0.44 0.84 -0.44 0.22 -0.62 0.00 0.00 178.44 178.00 2jpf h TYR 63 N 1.21 -1.20 -0.77 1.25 3.20 0.95 0.13 116.97 121.75 2jpf h TYR 63 Ca 0.31 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 2jpf h TYR 63 Cb -0.01 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2jpf h TYR 63 CO 0.01 -0.65 0.31 1.03 -1.64 0.00 0.00 178.16 177.22 2jpf h SER 64 N -1.04 1.05 -0.38 -2.11 0.87 -1.31 0.18 113.55 110.80 2jpf h SER 64 Ca -0.09 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.35 2jpf h SER 64 Cb 0.85 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 2jpf h SER 64 CO 0.06 0.93 0.14 -0.74 -0.53 0.00 0.00 176.83 176.69 2jpf h HIS 65 N 1.10 0.25 0.25 2.24 -0.00 -0.49 0.64 115.15 119.15 2jpf h HIS 65 Ca 0.26 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 2jpf h HIS 65 Cb 0.20 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2jpf h HIS 65 CO 0.02 0.10 -0.12 1.25 -0.00 0.00 0.00 177.93 179.18 2jpf h LEU 66 N 0.30 -0.28 -1.84 0.26 5.85 -0.52 0.29 115.31 119.37 2jpf h LEU 66 Ca 0.17 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.92 2jpf h LEU 66 Cb 0.15 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2jpf h LEU 66 CO -0.17 0.22 0.47 -0.08 -0.34 0.00 0.00 178.44 178.54 2jpf h GLU 67 N -1.02 0.15 0.00 1.25 4.22 -0.64 1.45 114.58 119.98 2jpf h GLU 67 Ca -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2jpf h GLU 67 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jpf h GLU 67 CO 0.06 0.10 -0.19 0.00 -2.18 0.00 0.00 179.01 176.79 2jpf h ALA 68 N 1.67 0.00 0.40 2.92 0.00 0.26 -3.03 119.26 121.48 2jpf h ALA 68 Ca 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2jpf h ALA 68 Cb 1.09 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jpf h ALA 68 CO -0.05 0.19 -0.19 0.37 0.00 0.00 0.00 179.25 179.57 2jpf h GLN 69 N -0.96 -0.52 -0.47 0.00 5.75 -0.23 -3.03 115.11 115.66 2jpf h GLN 69 Ca 0.00 0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.63 2jpf h GLN 69 Cb 0.19 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2jpf h GLN 69 CO 0.00 -0.21 0.32 2.35 -2.65 0.00 0.00 178.83 178.64 2jpf h TRP 70 N -0.83 0.26 -1.04 3.99 2.91 0.19 -1.56 115.95 119.87 2jpf h TRP 70 Ca -0.05 0.01 0.27 0.00 1.13 0.00 0.00 58.89 60.24 2jpf h TRP 70 Cb 0.54 -0.08 -0.11 0.00 -0.51 0.00 0.00 29.16 29.00 2jpf h TRP 70 CO 0.01 0.13 0.65 0.00 -1.03 0.00 0.00 178.44 178.20 2jpf h ALA 71 N 1.76 2.10 -0.12 2.65 0.00 -1.38 0.27 119.26 124.53 2jpf h ALA 71 Ca 0.22 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.25 2jpf h ALA 71 Cb 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jpf h ALA 71 CO -0.04 -0.55 0.73 -0.22 0.00 0.00 0.00 179.25 179.17 2jpf h LYS 72 N 0.44 0.00 0.82 0.00 1.63 -1.37 0.18 116.57 118.28 2jpf h LYS 72 Ca 0.63 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.39 2jpf h LYS 72 Cb 1.47 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 33.11 2jpf h LYS 72 CO -0.37 0.00 -0.40 1.96 -3.45 0.00 0.00 179.45 177.19 2jpf h GLN 73 N 0.00 -1.07 0.00 1.90 1.08 -0.68 -3.44 115.11 112.91 2jpf h GLN 73 Ca 0.06 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2jpf h GLN 73 Cb 1.51 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 2jpf h GLN 73 CO -0.00 -0.70 -0.35 0.72 -0.95 0.00 0.00 178.83 177.55 2jpf n HIS 74 N -5.53 -0.35 0.00 2.96 8.25 -0.11 -5.05 115.22 115.39 2jpf n HIS 74 Ca -0.14 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2jpf n HIS 74 Cb 0.44 0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.84 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 2.24 2.57 0.13 -1.41 0.00 -0.29 -4.86 105.19 103.57 2jpf n GLY 75 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2jpf n GLY 75 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jpf n THR 76 N -0.39 1.68 0.20 2.61 5.66 -1.26 -4.24 114.28 118.53 2jpf n THR 76 Ca 0.00 -0.45 0.06 0.00 -3.05 0.00 0.00 64.05 60.61 2jpf n THR 76 Cb 0.00 -1.82 0.41 0.00 -1.55 0.00 0.00 70.33 67.37 2jpf n THR 76 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2jpf h PRO 77 N -0.30 0.00 -5.83 1.09 0.13 -1.95 -3.41 132.00 121.72 2jpf h PRO 77 Ca -0.42 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.32 2jpf h PRO 77 Cb 1.79 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.88 2jpf h PRO 77 CO -0.03 0.33 1.01 -1.25 -0.23 0.00 0.00 178.00 177.83 2jpf s PRO 78 N -3.83 2.59 0.10 1.56 0.04 -1.26 -4.35 135.00 129.85 2jpf s PRO 78 Ca -0.01 0.11 -0.16 0.00 0.04 0.00 0.00 61.00 60.98 2jpf s PRO 78 Cb 0.12 -4.76 0.03 0.00 0.04 0.00 0.00 34.50 29.93 2jpf s PRO 78 CO 0.68 -3.09 0.39 0.99 0.04 0.00 0.00 177.00 176.01 2jpf s THR 79 N 9.63 0.07 0.64 1.26 2.01 -1.26 -4.96 115.64 123.03 2jpf s THR 79 Ca 0.69 -0.59 0.15 0.00 0.31 0.00 0.00 61.69 62.25 2jpf s THR 79 Cb -0.09 -1.12 0.19 0.00 0.01 0.00 0.00 72.50 71.48 2jpf s THR 79 CO 0.09 -0.32 1.35 0.00 -0.69 0.00 0.00 174.62 175.04 2jpf h ALA 80 N 2.56 2.09 0.08 7.40 0.00 -1.96 1.34 119.26 130.77 2jpf h ALA 80 Ca -0.33 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.29 2jpf h ALA 80 Cb 1.24 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.07 2jpf h ALA 80 CO 0.47 -0.99 -1.16 0.77 0.00 0.00 0.00 179.25 178.33 2jpf h SER 81 N 0.00 0.80 0.03 0.00 0.02 -1.94 -2.98 113.55 109.47 2jpf h SER 81 Ca 0.13 -0.71 -0.27 0.00 -0.84 0.00 0.00 61.79 60.10 2jpf h SER 81 Cb 1.84 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 2jpf h SER 81 CO -0.00 1.52 -1.46 0.47 -1.14 0.00 0.00 176.83 176.22 2jpf n ASP 82 N -3.78 1.92 0.24 3.07 9.92 0.42 -4.08 116.55 124.26 2jpf n ASP 82 Ca -0.12 0.37 0.18 0.00 -0.53 0.00 0.00 54.79 54.70 2jpf n ASP 82 Cb 0.94 -0.94 0.89 0.00 -0.64 0.00 0.00 41.12 41.37 2jpf n ASP 82 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2jpf h VAL 83 N -0.77 0.31 0.00 2.53 2.07 -0.44 1.52 116.25 121.47 2jpf h VAL 83 Ca -0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2jpf h VAL 83 Cb 1.47 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2jpf h VAL 83 CO -0.15 0.00 0.00 1.62 0.02 0.00 0.00 177.57 179.06 2jpf h VAL 84 N 0.00 0.00 0.00 2.57 3.04 -1.67 -3.26 116.25 116.94 2jpf h VAL 84 Ca 0.06 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2jpf h VAL 84 Cb 0.47 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2jpf h VAL 84 CO -0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 2jpf n GLY 85 N -0.28 1.00 0.13 3.17 0.00 0.68 -4.61 105.19 105.28 2jpf n GLY 85 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.35 -7.41 1.61 -1.53 0.19 -3.46 114.93 104.69 2jpf h MET 86 Ca 0.00 -0.16 -0.41 0.00 -3.44 0.00 0.00 59.70 55.70 2jpf h MET 86 Cb 0.33 -0.01 0.20 0.00 -0.55 0.00 0.00 31.60 31.57 2jpf h MET 86 CO 0.00 0.68 0.12 -1.25 0.14 0.00 0.00 176.91 176.60 2jpf s PRO 87 N -4.52 -1.61 -0.00 0.39 0.04 -1.25 -5.00 135.00 123.05 2jpf s PRO 87 Ca -0.14 -0.21 -0.09 0.00 0.04 0.00 0.00 61.00 60.60 2jpf s PRO 87 Cb 0.06 -1.56 -0.31 0.00 0.04 0.00 0.00 34.50 32.73 2jpf s PRO 87 CO 0.74 -3.94 0.84 -0.56 0.04 0.00 0.00 177.00 174.13 2jpf h GLN 88 N -2.74 0.36 -0.94 4.56 3.07 -1.95 -3.35 115.11 114.13 2jpf h GLN 88 Ca -0.42 -0.62 0.27 0.00 0.09 0.00 0.00 58.65 57.96 2jpf h GLN 88 Cb 1.28 0.23 -0.17 0.00 0.08 0.00 0.00 27.48 28.91 2jpf h GLN 88 CO 0.28 1.26 0.14 0.11 0.09 0.00 0.00 178.83 180.71 2jpf h TRP 89 N 0.10 0.15 -0.91 0.06 5.08 -1.96 0.66 115.95 119.13 2jpf h TRP 89 Ca -0.27 0.06 0.24 0.00 1.08 0.00 0.00 58.89 60.00 2jpf h TRP 89 Cb 2.08 0.09 -0.13 0.00 -3.00 0.00 0.00 29.16 28.19 2jpf h TRP 89 CO 0.09 -0.36 0.40 -0.56 -1.28 0.00 0.00 178.44 176.73 2jpf h GLN 90 N 0.07 0.35 0.13 0.12 -0.00 -1.82 0.38 115.11 114.34 2jpf h GLN 90 Ca 0.59 -0.02 -0.24 0.00 -0.00 0.00 0.00 58.65 58.99 2jpf h GLN 90 Cb 1.26 -0.08 0.01 0.00 -0.00 0.00 0.00 27.48 28.67 2jpf h GLN 90 CO -0.81 0.23 -1.15 1.49 -0.00 0.00 0.00 178.83 178.59 2jpf h GLU 91 N 0.36 0.27 0.42 0.06 4.81 -0.00 -3.31 114.58 117.19 2jpf h GLU 91 Ca 0.59 -0.47 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2jpf h GLU 91 Cb 1.17 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 2jpf h GLU 91 CO -0.57 1.22 -0.37 1.88 -0.73 0.00 0.00 179.01 180.44 2jpf h TYR 92 N -0.33 -1.03 -0.25 0.92 0.05 0.18 0.68 116.97 117.19 2jpf h TYR 92 Ca -0.23 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.62 2jpf h TYR 92 Cb 1.72 0.39 -0.01 0.00 1.01 0.00 0.00 36.73 39.84 2jpf h TYR 92 CO 0.16 -0.51 0.62 0.00 -1.05 0.00 0.00 178.16 177.38 2jpf h THR 93 N -0.78 0.10 0.14 -2.88 1.03 -0.49 0.28 112.91 110.31 2jpf h THR 93 Ca -0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 66.41 66.07 2jpf h THR 93 Cb 0.66 0.43 0.01 0.00 -1.07 0.00 0.00 68.15 68.18 2jpf h THR 93 CO -0.02 0.00 -1.37 0.00 -0.01 0.00 0.00 175.52 174.12 2jpf h ALA 94 N 0.99 0.10 -0.25 0.00 0.00 -1.30 -3.32 119.26 115.48 2jpf h ALA 94 Ca 0.12 -1.01 0.07 0.00 0.00 0.00 0.00 54.91 54.09 2jpf h ALA 94 Cb 1.36 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2jpf h ALA 94 CO -0.00 0.77 0.37 1.98 0.00 0.00 0.00 179.25 182.37 2jpf h MET 95 N -0.22 0.00 0.55 0.00 -1.53 0.18 0.43 114.93 114.34 2jpf h MET 95 Ca -0.28 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 55.95 2jpf h MET 95 Cb 1.83 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 32.88 2jpf h MET 95 CO 0.11 0.00 -0.27 -0.07 0.14 0.00 0.00 176.91 176.83 2jpf h LEU 96 N 0.00 -0.63 -0.91 3.39 3.38 -1.60 0.63 115.31 119.57 2jpf h LEU 96 Ca 0.12 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2jpf h LEU 96 Cb 0.87 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2jpf h LEU 96 CO -0.00 -0.22 -0.41 0.08 0.09 0.00 0.00 178.44 177.98 2jpf h ARG 97 N -1.18 0.00 0.00 1.13 0.11 -1.53 0.96 114.38 113.87 2jpf h ARG 97 Ca -0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 2jpf h ARG 97 Cb 0.58 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.66 2jpf h ARG 97 CO 0.12 0.41 -0.02 1.49 0.10 0.00 0.00 179.97 182.07 2jpf h GLU 98 N 0.00 0.00 0.02 0.08 4.81 -0.23 -3.40 114.58 115.86 2jpf h GLU 98 Ca -0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 2jpf h GLU 98 Cb 0.92 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 2jpf h GLU 98 CO 0.05 0.50 -0.79 -0.09 -0.73 0.00 0.00 179.01 177.96 2jpf h ARG 99 N -1.00 0.04 -4.90 1.92 9.65 0.18 -3.48 114.38 116.78 2jpf h ARG 99 Ca -0.00 -0.06 -0.25 0.00 -1.10 0.00 0.00 59.98 58.57 2jpf h ARG 99 Cb 0.51 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.06 2jpf h ARG 99 CO -0.00 1.03 -0.35 1.97 2.80 0.00 0.00 179.97 185.42 2jpf n PHE 100 N -4.43 -1.68 -0.23 2.20 -1.74 0.33 -4.73 117.46 107.18 2jpf n PHE 100 Ca -0.22 0.20 0.23 0.00 -0.56 0.00 0.00 57.45 57.09 2jpf n PHE 100 Cb 0.64 -2.27 0.41 0.00 1.52 0.00 0.00 39.48 39.77 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jpf n ALA 101 N -2.84 0.74 0.21 1.98 0.00 -1.26 -4.33 120.51 115.01 2jpf n ALA 101 Ca -0.05 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2jpf n ALA 101 Cb 0.55 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2jpf n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jpf n GLY 102 N -1.20 -1.38 2.89 0.00 0.00 -1.26 -5.02 105.19 99.21 2jpf n GLY 102 Ca 0.26 0.26 -0.19 0.00 0.00 0.00 0.00 46.02 46.36 2jpf n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jpf n LEU 103 N -3.44 -1.60 -0.11 0.99 4.77 -1.26 -4.83 117.00 111.52 2jpf n LEU 103 Ca 0.00 -0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 2jpf n LEU 103 Cb 0.00 -2.31 -0.14 0.00 -2.33 0.00 0.00 43.42 38.64 2jpf n LEU 103 CO 0.00 0.04 -1.23 0.47 -1.33 0.00 0.00 177.39 175.34 2jpf n ASP 104 N -2.12 1.07 -4.50 -1.43 8.00 -1.26 -4.90 116.55 111.41 2jpf n ASP 104 Ca -0.09 -0.05 -0.44 0.00 0.71 0.00 0.00 54.79 54.92 2jpf n ASP 104 Cb 0.59 0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.83 2jpf n ASP 104 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2jpf n THR 105 N -3.03 0.07 -0.33 -3.53 5.66 -1.26 -5.19 114.28 106.66 2jpf n THR 105 Ca -0.39 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 2jpf n THR 105 Cb 1.07 -1.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.02 2jpf n THR 105 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64