#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpf n GLN 2 N 0.00 -7.55 0.15 -1.58 1.13 -1.26 -4.92 117.38 103.35 2jpf n GLN 2 Ca 0.00 0.82 -0.14 0.00 -1.94 0.00 0.00 57.00 55.74 2jpf n GLN 2 Cb 0.00 -5.83 -0.08 0.00 0.11 0.00 0.00 30.24 24.44 2jpf n GLN 2 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 2jpf h GLN 3 N -2.48 -0.32 -7.06 -1.09 4.20 -2.14 -3.43 115.11 102.78 2jpf h GLN 3 Ca -0.57 0.02 -0.48 0.00 0.06 0.00 0.00 58.65 57.69 2jpf h GLN 3 Cb 1.36 0.07 0.04 0.00 0.30 0.00 0.00 27.48 29.25 2jpf h GLN 3 CO 0.54 -0.10 0.40 -0.48 -0.67 0.00 0.00 178.83 178.52 2jpf s LEU 4 N -9.84 3.86 0.26 1.46 2.34 -1.26 -5.05 118.68 110.46 2jpf s LEU 4 Ca -0.15 2.02 -0.03 0.00 0.06 0.00 0.00 54.13 56.03 2jpf s LEU 4 Cb 0.04 -4.51 -0.05 0.00 -0.56 0.00 0.00 46.19 41.11 2jpf s LEU 4 CO 0.62 -0.86 0.50 -1.58 -1.06 0.00 0.00 176.35 173.97 2jpf s GLN 5 N -3.15 3.58 0.10 1.48 0.74 -1.26 -5.11 119.66 116.05 2jpf s GLN 5 Ca 0.67 -0.13 -0.23 0.00 0.05 0.00 0.00 55.36 55.72 2jpf s GLN 5 Cb -0.19 -2.71 0.06 0.00 1.10 0.00 0.00 33.01 31.27 2jpf s GLN 5 CO 0.23 0.27 0.58 -1.21 -0.55 0.00 0.00 175.29 174.61 2jpf s GLU 6 N -3.53 1.18 0.05 1.67 2.02 -1.26 -5.18 118.70 113.64 2jpf s GLU 6 Ca 0.42 -0.33 -0.27 0.00 0.02 0.00 0.00 54.97 54.81 2jpf s GLU 6 Cb -0.11 0.54 0.07 0.00 0.10 0.00 0.00 34.13 34.74 2jpf s GLU 6 CO 0.30 -0.47 0.65 -1.01 0.02 0.00 0.00 175.26 174.75 2jpf s HIS 7 N -3.09 -0.59 0.21 1.61 3.76 -1.26 -5.19 115.29 110.74 2jpf s HIS 7 Ca -0.02 0.72 -0.22 0.00 -0.15 0.00 0.00 55.06 55.39 2jpf s HIS 7 Cb -0.00 0.48 0.05 0.00 1.11 0.00 0.00 32.58 34.22 2jpf s HIS 7 CO -0.07 -0.72 0.70 0.00 -0.85 0.00 0.00 174.74 173.79 2jpf s ALA 8 N -2.46 -1.42 -0.18 -1.40 0.00 -1.26 -5.13 121.76 109.91 2jpf s ALA 8 Ca -0.05 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 2jpf s ALA 8 Cb -0.01 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 2jpf s ALA 8 CO -0.02 -0.92 1.58 -1.25 0.00 0.00 0.00 175.76 175.16 2jpf s PRO 9 N -3.78 3.93 0.08 0.00 0.04 -1.26 -4.96 135.00 129.05 2jpf s PRO 9 Ca 0.07 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 2jpf s PRO 9 Cb -0.04 -3.99 0.08 0.00 0.04 0.00 0.00 34.50 30.59 2jpf s PRO 9 CO -0.02 -1.13 0.92 -1.54 0.04 0.00 0.00 177.00 175.28 2jpf s SER 10 N 3.77 -0.27 0.06 6.66 1.04 -1.26 -5.16 113.70 118.53 2jpf s SER 10 Ca 0.70 -0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.77 2jpf s SER 10 Cb -0.26 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.23 2jpf s SER 10 CO 0.28 -0.76 0.48 -1.00 0.98 0.00 0.00 173.24 173.21 2jpf s HIS 11 N -3.21 3.72 0.43 5.02 3.76 -1.26 -5.09 115.29 118.66 2jpf s HIS 11 Ca 0.09 1.07 0.06 0.00 -0.15 0.00 0.00 55.06 56.13 2jpf s HIS 11 Cb -0.01 -2.35 -0.06 0.00 1.11 0.00 0.00 32.58 31.26 2jpf s HIS 11 CO -0.03 0.58 0.04 0.00 -0.85 0.00 0.00 174.74 174.48 2jpf s ALA 12 N -1.19 3.40 0.26 -1.40 0.00 -1.26 -5.03 121.76 116.54 2jpf s ALA 12 Ca 0.29 -1.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 2jpf s ALA 12 Cb -0.17 0.05 0.42 0.00 0.00 0.00 0.00 23.12 23.41 2jpf s ALA 12 CO 0.17 -0.12 1.85 -2.95 0.00 0.00 0.00 175.76 174.70 2jpf h ASN 13 N 1.63 0.88 -0.87 0.00 7.08 -1.96 -1.65 115.58 120.70 2jpf h ASN 13 Ca -0.44 0.03 0.17 0.00 -3.08 0.00 0.00 56.30 52.98 2jpf h ASN 13 Cb 1.25 -0.15 -0.10 0.00 -2.08 0.00 0.00 38.32 37.24 2jpf h ASN 13 CO 0.78 0.53 0.43 0.17 -2.08 0.00 0.00 177.43 177.25 2jpf h LEU 14 N 0.99 0.48 -0.29 6.14 8.10 -1.99 -1.44 115.31 127.31 2jpf h LEU 14 Ca 0.42 0.11 0.07 0.00 0.11 0.00 0.00 57.88 58.59 2jpf h LEU 14 Cb 0.29 0.04 -0.07 0.00 -0.44 0.00 0.00 40.66 40.47 2jpf h LEU 14 CO -0.21 0.16 -0.21 0.44 -4.11 0.00 0.00 178.44 174.51 2jpf h ASP 15 N 0.57 -0.70 -3.61 0.17 5.19 -1.70 -3.41 116.42 112.93 2jpf h ASP 15 Ca 0.49 0.14 -0.53 0.00 -0.62 0.00 0.00 57.03 56.51 2jpf h ASP 15 Cb 0.77 0.35 0.08 0.00 0.18 0.00 0.00 39.33 40.71 2jpf h ASP 15 CO -0.41 -0.25 0.79 -0.69 -3.12 0.00 0.00 179.24 175.57 2jpf s VAL 16 N -6.11 2.28 1.06 -1.35 1.01 -0.54 -5.00 120.40 111.75 2jpf s VAL 16 Ca -0.15 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 2jpf s VAL 16 Cb 0.13 -3.16 0.23 0.00 0.00 0.00 0.00 36.38 33.58 2jpf s VAL 16 CO 0.69 0.05 1.20 -0.54 0.00 0.00 0.00 175.10 176.50 2jpf s LYS 17 N -1.16 -0.14 1.34 2.72 1.02 -1.26 -4.99 119.74 117.28 2jpf s LYS 17 Ca 0.57 -0.16 -0.20 0.00 0.02 0.00 0.00 55.97 56.21 2jpf s LYS 17 Cb -0.45 -1.73 0.34 0.00 -0.52 0.00 0.00 37.83 35.47 2jpf s LYS 17 CO 0.52 -2.97 0.97 -1.58 -0.92 0.00 0.00 175.35 171.37 2jpf s TRP 18 N -3.41 0.03 0.60 3.18 0.52 -1.26 -4.84 118.94 113.75 2jpf s TRP 18 Ca 0.71 0.75 0.30 0.00 0.02 0.00 0.00 56.10 57.88 2jpf s TRP 18 Cb -0.08 -2.98 1.73 0.00 -1.15 0.00 0.00 33.47 30.99 2jpf s TRP 18 CO 0.54 -4.62 2.13 1.25 0.02 0.00 0.00 176.95 176.27 2jpf h LEU 19 N -3.16 0.00 -1.32 2.99 7.12 -1.88 -2.43 115.31 116.62 2jpf h LEU 19 Ca -0.49 0.00 0.45 0.00 0.13 0.00 0.00 57.88 57.97 2jpf h LEU 19 Cb 1.34 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.32 2jpf h LEU 19 CO 0.36 0.00 0.82 -0.78 -0.13 0.00 0.00 178.44 178.70 2jpf h ASP 20 N 0.00 0.24 -4.71 1.25 1.82 -1.84 -3.42 116.42 109.75 2jpf h ASP 20 Ca 0.06 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 2jpf h ASP 20 Cb 0.40 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.58 2jpf h ASP 20 CO -0.00 -0.26 0.00 0.61 -1.61 0.00 0.00 179.24 177.98 2jpf n GLY 21 N -1.48 3.22 3.12 -0.78 0.00 -0.92 -5.02 105.19 103.33 2jpf n GLY 21 Ca 0.39 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 1.88 -0.10 0.99 1.02 -1.26 -4.71 118.68 116.50 2jpf s LEU 22 Ca 0.00 -0.47 -0.16 0.00 0.02 0.00 0.00 54.13 53.52 2jpf s LEU 22 Cb 0.00 -1.19 -0.14 0.00 0.02 0.00 0.00 46.19 44.89 2jpf s LEU 22 CO 0.00 0.07 0.52 0.08 0.02 0.00 0.00 176.35 177.04 2jpf h ARG 23 N 7.10 -0.06 0.00 1.70 0.11 -1.99 -3.41 114.38 117.83 2jpf h ARG 23 Ca -0.28 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.65 2jpf h ARG 23 Cb 1.20 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.26 2jpf h ARG 23 CO 0.49 0.42 -1.62 0.00 0.10 0.00 0.00 179.97 179.36 2jpf n ALA 24 N -2.66 1.77 -0.25 0.08 0.00 -1.26 -4.63 120.51 113.56 2jpf n ALA 24 Ca -0.06 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.80 2jpf n ALA 24 Cb 0.25 0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.81 2jpf n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jpf n GLY 25 N 2.76 -2.52 2.68 0.00 0.00 -1.26 -4.24 105.19 102.60 2jpf n GLY 25 Ca -0.17 0.89 -0.22 0.00 0.00 0.00 0.00 46.02 46.52 2jpf n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jpf s SER 26 N -4.60 2.29 -0.20 1.61 1.04 -1.26 -5.02 113.70 107.56 2jpf s SER 26 Ca -0.07 -0.83 -0.16 0.00 0.48 0.00 0.00 55.95 55.37 2jpf s SER 26 Cb 0.06 0.16 -0.08 0.00 0.10 0.00 0.00 66.02 66.27 2jpf s SER 26 CO 0.37 -0.39 -0.29 0.23 0.98 0.00 0.00 173.24 174.13 2jpf n MET 27 N 5.29 0.53 0.15 4.02 0.00 -1.26 -4.64 117.12 121.21 2jpf n MET 27 Ca -0.04 0.30 -0.10 0.00 0.00 0.00 0.00 57.70 57.85 2jpf n MET 27 Cb 0.46 -1.51 -0.06 0.00 0.00 0.00 0.00 33.22 32.11 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 -0.97 -0.96 -2.16 3.04 0.00 -1.95 -3.43 119.26 112.83 2jpf h ALA 28 Ca -0.18 -0.10 -0.47 0.00 0.00 0.00 0.00 54.91 54.16 2jpf h ALA 28 Cb 1.08 0.57 0.02 0.00 0.00 0.00 0.00 17.79 19.45 2jpf h ALA 28 CO -0.11 -0.98 -0.14 -0.51 0.00 0.00 0.00 179.25 177.51 2jpf s LEU 29 N -7.77 3.84 -0.40 0.00 1.43 -1.26 -5.06 118.68 109.47 2jpf s LEU 29 Ca -0.10 0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 53.19 2jpf s LEU 29 Cb 0.03 -3.27 0.01 0.00 0.03 0.00 0.00 46.19 42.99 2jpf s LEU 29 CO 0.35 -0.48 0.60 -1.58 0.23 0.00 0.00 176.35 175.47 2jpf s GLN 30 N -4.44 3.45 0.34 1.70 0.74 -1.26 -4.77 119.66 115.43 2jpf s GLN 30 Ca 0.44 -0.23 0.24 0.00 0.05 0.00 0.00 55.36 55.85 2jpf s GLN 30 Cb -0.10 -3.88 0.38 0.00 1.10 0.00 0.00 33.01 30.51 2jpf s GLN 30 CO 0.37 -0.85 1.54 0.78 -0.55 0.00 0.00 175.29 176.58 2jpf h GLY 31 N 9.45 0.00 0.83 2.59 0.00 -1.97 -2.30 103.07 111.67 2jpf h GLY 31 Ca -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2jpf h GLY 31 CO 0.85 0.00 -0.30 -0.55 0.00 0.00 0.00 176.54 176.54 2jpf h ASP 32 N 0.00 -0.70 0.22 0.19 3.32 -1.91 -2.97 116.42 114.57 2jpf h ASP 32 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.72 2jpf h ASP 32 Cb 0.94 0.18 0.03 0.00 0.22 0.00 0.00 39.33 40.70 2jpf h ASP 32 CO 0.00 -0.38 -1.36 -0.37 -1.72 0.00 0.00 179.24 175.41 2jpf h VAL 33 N -1.01 1.30 -0.98 -1.35 -1.51 -1.99 -2.75 116.25 107.96 2jpf h VAL 33 Ca -0.08 -2.64 0.33 0.00 -1.23 0.00 0.00 66.70 63.07 2jpf h VAL 33 Cb 0.68 3.05 -0.16 0.00 -2.13 0.00 0.00 31.29 32.73 2jpf h VAL 33 CO 0.14 0.79 0.47 0.50 -1.23 0.00 0.00 177.57 178.24 2jpf h LYS 34 N 0.01 0.20 0.00 5.19 3.64 -1.52 0.69 116.57 124.78 2jpf h LYS 34 Ca -0.24 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 2jpf h LYS 34 Cb 2.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 2jpf h LYS 34 CO 0.23 0.13 -1.23 1.33 -2.27 0.00 0.00 179.45 177.65 2jpf n VAL 35 N -5.16 0.90 -0.31 2.00 0.24 -1.12 -4.09 118.33 110.79 2jpf n VAL 35 Ca 0.31 -0.62 0.12 0.00 -2.04 0.00 0.00 64.34 62.11 2jpf n VAL 35 Cb 0.99 -0.53 0.26 0.00 -1.47 0.00 0.00 33.84 33.08 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 0.08 0.12 6.34 2.91 0.72 0.32 115.95 126.43 2jpf h TRP 36 Ca -0.08 0.06 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 2jpf h TRP 36 Cb 1.30 0.11 0.00 0.00 -0.51 0.00 0.00 29.16 30.06 2jpf h TRP 36 CO 0.00 -0.32 -0.06 0.52 -1.03 0.00 0.00 178.44 177.55 2jpf h MET 37 N 0.09 -0.15 -1.21 2.65 0.00 -1.71 -3.24 114.93 111.36 2jpf h MET 37 Ca 0.54 0.01 0.37 0.00 0.00 0.00 0.00 59.70 60.62 2jpf h MET 37 Cb 1.08 0.03 -0.11 0.00 0.00 0.00 0.00 31.60 32.60 2jpf h MET 37 CO -0.78 0.21 0.78 -0.56 0.00 0.00 0.00 176.91 176.56 2jpf h GLN 38 N -0.97 0.19 -0.52 1.72 3.07 -1.50 1.06 115.11 118.15 2jpf h GLN 38 Ca -0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 58.65 58.64 2jpf h GLN 38 Cb 0.43 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 2jpf h GLN 38 CO 0.03 0.13 0.03 -0.91 0.09 0.00 0.00 178.83 178.20 2jpf h ASN 39 N 0.20 0.82 1.10 0.06 2.35 -0.47 -2.77 115.58 116.87 2jpf h ASN 39 Ca 0.73 -0.19 -0.18 0.00 -0.55 0.00 0.00 56.30 56.11 2jpf h ASN 39 Cb 2.17 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 40.29 2jpf h ASN 39 CO -0.37 0.86 -0.93 -0.07 -1.65 0.00 0.00 177.43 175.27 2jpf h LEU 40 N 0.80 0.00 -0.91 1.61 3.38 0.95 -2.84 115.31 118.30 2jpf h LEU 40 Ca 0.16 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.18 2jpf h LEU 40 Cb 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2jpf h LEU 40 CO 0.02 0.78 0.59 -0.08 0.09 0.00 0.00 178.44 179.83 2jpf h GLU 41 N 0.00 1.07 0.10 1.13 4.81 -0.31 1.07 114.58 122.44 2jpf h GLU 41 Ca -0.05 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 2jpf h GLU 41 Cb 1.64 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.78 2jpf h GLU 41 CO 0.09 0.71 -0.87 0.22 -0.73 0.00 0.00 179.01 178.43 2jpf h ASP 42 N 1.11 0.32 0.64 1.04 1.82 -1.61 -3.28 116.42 116.45 2jpf h ASP 42 Ca 0.38 -0.90 -0.03 0.00 -0.39 0.00 0.00 57.03 56.09 2jpf h ASP 42 Cb 0.08 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 39.99 2jpf h ASP 42 CO -0.14 1.39 -0.31 0.25 -1.61 0.00 0.00 179.24 178.82 2jpf h LEU 43 N -0.52 -0.73 -1.61 2.28 7.12 -1.36 -3.05 115.31 117.44 2jpf h LEU 43 Ca -0.18 0.01 0.44 0.00 0.13 0.00 0.00 57.88 58.27 2jpf h LEU 43 Cb 1.53 0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 41.74 2jpf h LEU 43 CO 0.07 -0.34 0.96 -0.74 -0.13 0.00 0.00 178.44 178.25 2jpf h HIS 44 N -1.19 0.35 -0.71 1.25 2.76 0.11 0.29 115.15 118.02 2jpf h HIS 44 Ca -0.09 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.25 2jpf h HIS 44 Cb 0.68 -0.09 -0.11 0.00 1.55 0.00 0.00 27.41 29.43 2jpf h HIS 44 CO 0.00 -0.11 0.09 1.15 -1.30 0.00 0.00 177.93 177.76 2jpf h THR 45 N 0.08 0.47 0.00 6.26 2.02 -1.59 -3.22 112.91 116.93 2jpf h THR 45 Ca 0.79 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.91 2jpf h THR 45 Cb 2.69 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2jpf h THR 45 CO -0.27 0.03 -0.11 -0.09 0.37 0.00 0.00 175.52 175.46 2jpf h ARG 46 N 0.19 0.00 -4.23 6.66 9.65 -0.56 -3.47 114.38 122.62 2jpf h ARG 46 Ca 0.39 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.78 2jpf h ARG 46 Cb 0.67 0.00 -0.35 0.00 -1.39 0.00 0.00 29.97 28.89 2jpf h ARG 46 CO -0.55 0.00 -0.80 0.50 2.80 0.00 0.00 179.97 181.92 2jpf s ARG 47 N -1.40 1.33 -0.02 0.20 3.52 -0.97 -5.05 118.95 116.56 2jpf s ARG 47 Ca -0.03 -0.23 -0.25 0.00 -0.13 0.00 0.00 55.73 55.09 2jpf s ARG 47 Cb 0.00 -1.30 -0.19 0.00 -1.56 0.00 0.00 34.95 31.91 2jpf s ARG 47 CO 0.05 -0.14 1.21 -1.00 -0.81 0.00 0.00 175.30 174.61 2jpf h PRO 48 N 7.59 -0.09 -0.54 5.12 0.13 -1.82 -2.67 132.00 139.72 2jpf h PRO 48 Ca -0.31 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 64.98 2jpf h PRO 48 Cb 1.15 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2jpf h PRO 48 CO 0.43 0.36 0.65 0.22 -0.23 0.00 0.00 178.00 179.42 2jpf h ASP 49 N -0.58 0.00 0.85 1.44 3.58 -1.96 1.11 116.42 120.86 2jpf h ASP 49 Ca -0.01 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 2jpf h ASP 49 Cb 0.49 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2jpf h ASP 49 CO 0.02 0.00 -1.19 1.21 -2.88 0.00 0.00 179.24 176.40 2jpf n GLU 50 N -3.51 0.61 -0.32 0.28 4.07 -1.16 -4.15 120.64 116.46 2jpf n GLU 50 Ca 0.11 0.14 0.16 0.00 -0.06 0.00 0.00 57.16 57.51 2jpf n GLU 50 Cb 0.84 -1.81 0.35 0.00 -0.06 0.00 0.00 31.44 30.77 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 0.71 0.00 4.31 -5.15 0.16 1.08 116.94 118.06 2jpf h PHE 51 Ca -0.06 0.04 -0.02 0.00 -0.20 0.00 0.00 57.97 57.73 2jpf h PHE 51 Cb 1.20 -0.17 -0.00 0.00 0.22 0.00 0.00 35.95 37.20 2jpf h PHE 51 CO 0.00 -0.08 -0.11 1.79 -2.00 0.00 0.00 178.31 177.91 2jpf h THR 52 N 0.38 0.25 0.00 0.88 1.35 -1.72 -2.80 112.91 111.25 2jpf h THR 52 Ca 0.61 -0.89 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2jpf h THR 52 Cb 1.21 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2jpf h THR 52 CO -0.56 0.10 -0.02 0.00 -0.25 0.00 0.00 175.52 174.79 2jpf h ALA 53 N 1.89 1.00 0.27 6.62 0.00 0.10 -1.42 119.26 127.72 2jpf h ALA 53 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jpf h ALA 53 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jpf h ALA 53 CO 0.01 0.03 -0.13 -0.09 0.00 0.00 0.00 179.25 179.08 2jpf h ARG 54 N 0.00 -0.35 0.00 0.00 9.65 -1.19 -3.25 114.38 119.24 2jpf h ARG 54 Ca -0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2jpf h ARG 54 Cb 0.62 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 2jpf h ARG 54 CO 0.00 -0.23 0.00 1.37 2.80 0.00 0.00 179.97 183.91 2jpf h LEU 55 N -0.47 0.00 -1.82 3.80 -0.00 -1.71 -3.15 115.31 111.95 2jpf h LEU 55 Ca -0.04 0.00 0.34 0.00 -0.00 0.00 0.00 57.88 58.18 2jpf h LEU 55 Cb 0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.87 2jpf h LEU 55 CO 0.06 0.00 0.83 -0.61 -0.00 0.00 0.00 178.44 178.72 2jpf h GLN 56 N 0.00 0.09 -0.03 0.17 5.75 -1.29 0.63 115.11 120.43 2jpf h GLN 56 Ca 0.00 -0.01 -0.23 0.00 -0.15 0.00 0.00 58.65 58.26 2jpf h GLN 56 Cb 0.59 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.13 2jpf h GLN 56 CO 0.00 0.06 -0.93 1.96 -2.65 0.00 0.00 178.83 177.28 2jpf h GLN 57 N 0.10 0.56 0.12 1.69 1.08 -1.66 -3.19 115.11 113.80 2jpf h GLN 57 Ca 0.59 -0.56 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2jpf h GLN 57 Cb 2.14 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 29.72 2jpf h GLN 57 CO -0.10 1.18 -0.06 0.66 -0.95 0.00 0.00 178.83 179.57 2jpf h SER 58 N 0.34 -0.13 -0.46 1.46 4.64 -0.13 -3.27 113.55 115.99 2jpf h SER 58 Ca -0.09 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.37 2jpf h SER 58 Cb 1.56 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.66 2jpf h SER 58 CO 0.17 0.22 0.97 0.00 -0.87 0.00 0.00 176.83 177.32 2jpf h THR 59 N -0.79 0.04 -0.68 2.95 1.03 -0.70 0.21 112.91 114.97 2jpf h THR 59 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 66.41 66.51 2jpf h THR 59 Cb 0.12 0.14 -0.09 0.00 -1.07 0.00 0.00 68.15 67.24 2jpf h THR 59 CO 0.03 0.00 0.21 -0.78 -0.01 0.00 0.00 175.52 174.97 2jpf h ASP 60 N 0.00 0.14 -0.44 0.00 1.82 -1.60 0.21 116.42 116.55 2jpf h ASP 60 Ca 0.22 0.11 0.08 0.00 -0.39 0.00 0.00 57.03 57.05 2jpf h ASP 60 Cb 2.15 0.12 -0.10 0.00 0.68 0.00 0.00 39.33 42.19 2jpf h ASP 60 CO -0.00 0.05 -0.34 0.00 -1.61 0.00 0.00 179.24 177.34 2jpf h ALA 61 N 1.51 -0.19 -0.12 -0.78 0.00 -0.79 0.58 119.26 119.48 2jpf h ALA 61 Ca 0.36 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 2jpf h ALA 61 Cb 0.55 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2jpf h ALA 61 CO -0.41 -0.73 -0.12 1.25 0.00 0.00 0.00 179.25 179.24 2jpf h LEU 62 N -0.25 0.31 -0.70 0.00 5.85 -1.54 0.52 115.31 119.50 2jpf h LEU 62 Ca 0.18 -0.49 0.14 0.00 0.84 0.00 0.00 57.88 58.56 2jpf h LEU 62 Cb 0.55 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.36 2jpf h LEU 62 CO -0.57 0.74 -0.15 0.22 -0.34 0.00 0.00 178.44 178.33 2jpf h TYR 63 N -0.11 -0.33 0.10 1.25 3.20 -0.01 0.17 116.97 121.24 2jpf h TYR 63 Ca 0.02 0.06 -0.19 0.00 3.14 0.00 0.00 58.73 61.76 2jpf h TYR 63 Cb 0.65 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2jpf h TYR 63 CO 0.09 -0.29 -0.95 0.77 -1.64 0.00 0.00 178.16 176.13 2jpf h SER 64 N 0.01 0.32 -1.07 -2.11 0.02 -0.92 -3.18 113.55 106.61 2jpf h SER 64 Ca 0.34 -0.88 0.30 0.00 -0.84 0.00 0.00 61.79 60.71 2jpf h SER 64 Cb 0.54 -0.10 -0.12 0.00 0.14 0.00 0.00 62.40 62.86 2jpf h SER 64 CO -0.71 1.42 0.67 -0.74 -1.14 0.00 0.00 176.83 176.33 2jpf h HIS 65 N -0.51 0.76 0.35 3.45 -0.00 0.54 0.55 115.15 120.29 2jpf h HIS 65 Ca -0.20 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.18 2jpf h HIS 65 Cb 1.55 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 2jpf h HIS 65 CO 0.17 -0.03 -0.17 1.25 -0.00 0.00 0.00 177.93 179.16 2jpf h LEU 66 N 0.37 -0.40 -1.83 0.26 5.85 -0.79 0.58 115.31 119.35 2jpf h LEU 66 Ca 0.67 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.58 2jpf h LEU 66 Cb 1.65 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.75 2jpf h LEU 66 CO -0.41 0.02 0.50 -0.08 -0.34 0.00 0.00 178.44 178.13 2jpf h GLU 67 N -1.09 0.15 0.00 1.25 4.22 -1.34 0.95 114.58 118.72 2jpf h GLU 67 Ca -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2jpf h GLU 67 Cb 0.36 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jpf h GLU 67 CO 0.08 0.10 -0.22 0.00 -2.18 0.00 0.00 179.01 176.79 2jpf h ALA 68 N 1.66 0.00 0.69 2.92 0.00 0.03 -3.17 119.26 121.39 2jpf h ALA 68 Ca 0.35 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jpf h ALA 68 Cb 1.14 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.16 2jpf h ALA 68 CO -0.05 0.22 -0.33 0.37 0.00 0.00 0.00 179.25 179.45 2jpf h GLN 69 N -0.93 -0.90 -0.70 0.00 5.75 0.37 -2.59 115.11 116.11 2jpf h GLN 69 Ca 0.00 0.06 0.20 0.00 -0.15 0.00 0.00 58.65 58.76 2jpf h GLN 69 Cb 0.22 0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2jpf h GLN 69 CO 0.00 -0.58 0.50 2.35 -2.65 0.00 0.00 178.83 178.45 2jpf h TRP 70 N -0.99 0.05 -1.34 3.99 2.91 0.85 -0.93 115.95 120.50 2jpf h TRP 70 Ca -0.09 0.00 0.40 0.00 1.13 0.00 0.00 58.89 60.33 2jpf h TRP 70 Cb 0.73 -0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 29.27 2jpf h TRP 70 CO -0.02 0.02 0.91 0.00 -1.03 0.00 0.00 178.44 178.32 2jpf h ALA 71 N 1.65 2.92 -0.86 2.65 0.00 -1.42 0.71 119.26 124.90 2jpf h ALA 71 Ca 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2jpf h ALA 71 Cb 1.29 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2jpf h ALA 71 CO -0.02 -1.42 0.50 0.87 0.00 0.00 0.00 179.25 179.19 2jpf h LYS 72 N 0.12 1.19 0.37 0.00 1.79 -1.29 0.61 116.57 119.35 2jpf h LYS 72 Ca 0.73 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 59.08 2jpf h LYS 72 Cb 2.48 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 32.86 2jpf h LYS 72 CO -0.22 0.85 -0.48 1.96 -1.08 0.00 0.00 179.45 180.47 2jpf h GLN 73 N 1.19 -0.85 0.00 3.15 1.08 0.27 -3.42 115.11 116.53 2jpf h GLN 73 Ca 0.31 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2jpf h GLN 73 Cb -0.02 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2jpf h GLN 73 CO -0.05 -0.56 -0.48 0.72 -0.95 0.00 0.00 178.83 177.50 2jpf n HIS 74 N -5.31 -0.23 0.00 2.96 8.25 -1.17 -5.03 115.22 114.69 2jpf n HIS 74 Ca -0.10 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2jpf n HIS 74 Cb 0.42 0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 2.52 3.17 0.08 -1.41 0.00 0.20 -4.82 105.19 104.93 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 0.74 0.00 2.61 1.35 -1.95 -3.38 112.91 112.28 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 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 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 -6.30 4.72 0.13 -1.98 -3.42 132.00 124.15 2jpf h PRO 77 Ca -0.16 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.40 2jpf h PRO 77 Cb 0.91 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2jpf h PRO 77 CO -0.10 0.35 1.24 -1.25 -0.23 0.00 0.00 178.00 178.01 2jpf s PRO 78 N -3.84 3.32 -0.07 1.56 0.04 -1.26 -4.44 135.00 130.31 2jpf s PRO 78 Ca -0.01 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2jpf s PRO 78 Cb 0.12 -4.18 0.11 0.00 0.04 0.00 0.00 34.50 30.59 2jpf s PRO 78 CO 0.68 -1.88 0.88 0.99 0.04 0.00 0.00 177.00 177.72 2jpf s THR 79 N 6.77 0.00 0.58 1.26 2.01 -1.26 -4.90 115.64 120.09 2jpf s THR 79 Ca 0.74 0.00 0.37 0.00 0.31 0.00 0.00 61.69 63.12 2jpf s THR 79 Cb -0.19 -1.00 0.55 0.00 0.01 0.00 0.00 72.50 71.86 2jpf s THR 79 CO 0.32 0.00 1.40 0.00 -0.69 0.00 0.00 174.62 175.66 2jpf n ALA 80 N 0.41 1.41 -0.04 7.40 0.00 -1.26 0.18 120.51 128.61 2jpf n ALA 80 Ca -0.12 0.48 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 2jpf n ALA 80 Cb 0.59 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 2jpf n ALA 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jpf h SER 81 N 0.00 0.54 0.00 0.00 0.87 -1.94 -3.19 113.55 109.83 2jpf h SER 81 Ca 0.70 -0.62 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 2jpf h SER 81 Cb 3.31 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 65.09 2jpf h SER 81 CO -0.01 1.07 -0.65 0.44 -0.53 0.00 0.00 176.83 177.15 2jpf h ASP 82 N 0.05 0.00 -0.64 6.23 3.32 0.16 -3.34 116.42 122.21 2jpf h ASP 82 Ca -0.02 -0.56 0.19 0.00 0.02 0.00 0.00 57.03 56.66 2jpf h ASP 82 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 2jpf h ASP 82 CO 0.08 1.15 0.96 0.58 -1.72 0.00 0.00 179.24 180.30 2jpf h VAL 83 N -1.00 0.07 -0.95 -1.35 2.07 -0.23 0.74 116.25 115.61 2jpf h VAL 83 Ca -0.16 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2jpf h VAL 83 Cb 0.99 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2jpf h VAL 83 CO -0.10 0.00 0.61 1.62 0.02 0.00 0.00 177.57 179.72 2jpf h VAL 84 N 0.00 1.11 0.00 2.57 3.04 -1.67 -3.26 116.25 118.04 2jpf h VAL 84 Ca 0.30 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 2jpf h VAL 84 Cb 2.23 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 2jpf h VAL 84 CO -0.00 0.21 0.00 0.61 -1.01 0.00 0.00 177.57 177.37 2jpf n GLY 85 N -1.35 -0.33 0.16 3.17 0.00 0.19 -4.61 105.19 102.41 2jpf n GLY 85 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.47 -7.39 1.61 4.05 0.13 -3.44 114.93 110.36 2jpf h MET 86 Ca 0.00 -0.03 -0.42 0.00 -0.28 0.00 0.00 59.70 58.97 2jpf h MET 86 Cb 0.11 -0.11 0.19 0.00 -0.80 0.00 0.00 31.60 30.99 2jpf h MET 86 CO 0.00 0.32 0.14 -1.25 0.23 0.00 0.00 176.91 176.34 2jpf s PRO 87 N -6.15 -1.07 0.04 0.39 0.04 -1.25 -4.99 135.00 122.00 2jpf s PRO 87 Ca -0.13 -0.00 0.01 0.00 0.04 0.00 0.00 61.00 60.92 2jpf s PRO 87 Cb 0.10 -1.61 -0.26 0.00 0.04 0.00 0.00 34.50 32.78 2jpf s PRO 87 CO 0.72 -3.62 0.97 -0.56 0.04 0.00 0.00 177.00 174.55 2jpf h GLN 88 N -2.52 0.17 -0.95 4.56 3.07 -1.96 -3.34 115.11 114.14 2jpf h GLN 88 Ca -0.46 -0.29 0.29 0.00 0.09 0.00 0.00 58.65 58.28 2jpf h GLN 88 Cb 1.30 0.11 -0.17 0.00 0.08 0.00 0.00 27.48 28.80 2jpf h GLN 88 CO 0.37 1.03 0.20 0.11 0.09 0.00 0.00 178.83 180.63 2jpf h TRP 89 N 0.05 0.26 -0.76 0.06 5.08 -1.94 0.59 115.95 119.29 2jpf h TRP 89 Ca -0.18 0.06 0.17 0.00 1.08 0.00 0.00 58.89 60.02 2jpf h TRP 89 Cb 1.95 0.04 -0.12 0.00 -3.00 0.00 0.00 29.16 28.04 2jpf h TRP 89 CO 0.04 -0.36 0.16 0.37 -1.28 0.00 0.00 178.44 177.37 2jpf h GLN 90 N 0.08 0.23 0.00 0.12 5.75 -1.82 0.44 115.11 119.92 2jpf h GLN 90 Ca 0.63 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 59.06 2jpf h GLN 90 Cb 1.38 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.87 2jpf h GLN 90 CO -0.80 0.15 -0.33 0.93 -2.65 0.00 0.00 178.83 176.14 2jpf h GLU 91 N 0.23 0.00 -0.38 1.69 5.08 -0.24 -3.24 114.58 117.72 2jpf h GLU 91 Ca 0.43 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.83 2jpf h GLU 91 Cb 0.76 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 2jpf h GLU 91 CO -0.55 0.70 -0.34 1.88 -1.00 0.00 0.00 179.01 179.69 2jpf h TYR 92 N -1.00 -1.06 -0.79 4.33 0.05 -0.29 0.45 116.97 118.65 2jpf h TYR 92 Ca -0.08 0.06 0.21 0.00 0.05 0.00 0.00 58.73 58.97 2jpf h TYR 92 Cb 0.81 0.51 -0.04 0.00 1.01 0.00 0.00 36.73 39.03 2jpf h TYR 92 CO 0.13 -0.26 0.55 1.79 -1.05 0.00 0.00 178.16 179.32 2jpf h THR 93 N -0.14 0.66 0.00 -2.88 1.35 -1.11 0.57 112.91 111.35 2jpf h THR 93 Ca 0.06 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.85 2jpf h THR 93 Cb 0.31 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2jpf h THR 93 CO -0.44 0.03 -0.10 0.00 -0.25 0.00 0.00 175.52 174.76 2jpf h ALA 94 N 1.62 1.04 0.20 6.62 0.00 -0.20 0.78 119.26 129.33 2jpf h ALA 94 Ca 0.39 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.86 2jpf h ALA 94 Cb 1.30 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.09 2jpf h ALA 94 CO -0.06 0.13 -1.69 0.52 0.00 0.00 0.00 179.25 178.15 2jpf h MET 95 N 0.00 0.43 0.01 0.00 2.07 0.16 -3.09 114.93 114.51 2jpf h MET 95 Ca -0.00 -0.74 -0.00 0.00 -2.07 0.00 0.00 59.70 56.89 2jpf h MET 95 Cb 0.58 0.27 0.00 0.00 -1.87 0.00 0.00 31.60 30.58 2jpf h MET 95 CO 0.01 1.35 -0.00 1.37 1.07 0.00 0.00 176.91 180.71 2jpf h LEU 96 N 0.11 -0.01 -1.22 1.22 -0.00 -1.31 0.17 115.31 114.26 2jpf h LEU 96 Ca -0.33 0.00 0.20 0.00 -0.00 0.00 0.00 57.88 57.76 2jpf h LEU 96 Cb 2.11 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 42.68 2jpf h LEU 96 CO 0.20 0.42 0.62 0.08 -0.00 0.00 0.00 178.44 179.76 2jpf h ARG 97 N -0.87 0.59 0.00 0.17 0.11 -1.06 2.13 114.38 115.44 2jpf h ARG 97 Ca -0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 2jpf h ARG 97 Cb 0.01 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 30.95 2jpf h ARG 97 CO 0.00 0.39 -0.19 1.49 0.10 0.00 0.00 179.97 181.76 2jpf h GLU 98 N 0.61 0.00 -0.93 0.08 4.81 -1.66 -3.33 114.58 114.15 2jpf h GLU 98 Ca 0.54 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.74 2jpf h GLU 98 Cb 1.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2jpf h GLU 98 CO -0.30 0.38 0.04 -2.13 -0.73 0.00 0.00 179.01 176.27 2jpf n ARG 99 N -4.68 1.72 0.04 1.92 3.00 0.60 -4.22 116.66 115.05 2jpf n ARG 99 Ca -0.07 -0.70 0.12 0.00 -0.00 0.00 0.00 57.85 57.19 2jpf n ARG 99 Cb 0.24 -1.56 0.58 0.00 0.00 0.00 0.00 32.46 31.71 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 0.72 0.22 -0.20 -0.14 -0.00 0.34 -1.55 116.94 116.33 2jpf h PHE 100 Ca 0.04 0.01 0.06 0.00 -0.00 0.00 0.00 57.97 58.07 2jpf h PHE 100 Cb 1.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 35.95 36.87 2jpf h PHE 100 CO 0.28 0.11 0.74 0.00 -0.00 0.00 0.00 178.31 179.45 2jpf h ALA 101 N 1.80 1.93 -0.77 12.09 0.00 -1.82 -2.54 119.26 129.95 2jpf h ALA 101 Ca 0.18 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.74 2jpf h ALA 101 Cb 0.42 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.98 2jpf h ALA 101 CO -0.03 -0.85 -0.73 0.41 0.00 0.00 0.00 179.25 178.05 2jpf n GLY 102 N -1.44 1.71 3.55 0.00 0.00 -0.58 -5.09 105.19 103.34 2jpf n GLY 102 Ca 0.04 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 0.43 2.41 -0.02 0.99 4.77 -0.96 -4.69 117.00 119.93 2jpf n LEU 103 Ca 0.13 -0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 2jpf n LEU 103 Cb 0.68 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 2jpf n LEU 103 CO 0.10 -1.18 -0.62 -0.67 -1.33 0.00 0.00 177.39 173.70 2jpf n ASP 104 N 13.73 4.07 -0.48 -1.43 2.03 -1.26 -4.63 116.55 128.58 2jpf n ASP 104 Ca 0.38 -0.00 0.42 0.00 0.52 0.00 0.00 54.79 56.10 2jpf n ASP 104 Cb 0.45 0.55 0.76 0.00 -0.72 0.00 0.00 41.12 42.15 2jpf n ASP 104 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2jpf h THR 105 N 0.00 0.24 -0.02 5.18 1.35 -1.98 -3.55 112.91 114.12 2jpf h THR 105 Ca -0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2jpf h THR 105 Cb 1.22 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2jpf h THR 105 CO 0.00 0.01 0.00 -0.38 -0.25 0.00 0.00 175.52 174.90