#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 2.30 -0.17 -1.58 -0.21 -1.26 -5.07 119.66 113.67 2jpf s GLN 2 Ca 0.00 -1.34 -0.34 0.00 0.02 0.00 0.00 55.36 53.70 2jpf s GLN 2 Cb 0.00 -3.06 -0.11 0.00 1.00 0.00 0.00 33.01 30.83 2jpf s GLN 2 CO 0.00 -0.62 1.95 0.94 -2.12 0.00 0.00 175.29 175.44 2jpf n GLN 3 N 4.52 1.86 -3.47 2.91 7.27 -1.26 -4.93 117.38 124.29 2jpf n GLN 3 Ca -0.13 0.65 -0.14 0.00 0.07 0.00 0.00 57.00 57.45 2jpf n GLN 3 Cb 0.43 -2.61 -0.04 0.00 2.41 0.00 0.00 30.24 30.43 2jpf n GLN 3 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2jpf s LEU 4 N 4.96 -0.59 -0.14 1.69 1.02 -1.26 -5.15 118.68 119.21 2jpf s LEU 4 Ca 0.97 0.32 -0.02 0.00 0.02 0.00 0.00 54.13 55.42 2jpf s LEU 4 Cb -0.73 2.52 0.05 0.00 0.02 0.00 0.00 46.19 48.05 2jpf s LEU 4 CO 0.51 -0.78 0.03 -1.10 0.02 0.00 0.00 176.35 175.03 2jpf s GLN 5 N -2.54 0.59 0.03 1.70 -0.21 -1.26 -5.14 119.66 112.84 2jpf s GLN 5 Ca -0.04 -0.17 0.05 0.00 0.02 0.00 0.00 55.36 55.21 2jpf s GLN 5 Cb -0.01 -1.61 -0.03 0.00 1.00 0.00 0.00 33.01 32.36 2jpf s GLN 5 CO -0.02 -0.50 -0.08 -1.83 -2.12 0.00 0.00 175.29 170.73 2jpf s GLU 6 N 1.93 2.41 -0.15 2.91 -1.05 -1.26 -5.12 118.70 118.37 2jpf s GLU 6 Ca 0.02 -0.82 -0.10 0.00 -0.15 0.00 0.00 54.97 53.91 2jpf s GLU 6 Cb -0.15 -2.42 0.05 0.00 -0.44 0.00 0.00 34.13 31.16 2jpf s GLU 6 CO -0.07 0.57 0.37 -1.58 0.95 0.00 0.00 175.26 175.50 2jpf s HIS 7 N -1.04 -0.48 -0.21 4.83 2.46 -1.26 -5.12 115.29 114.47 2jpf s HIS 7 Ca 0.18 1.09 -0.29 0.00 0.47 0.00 0.00 55.06 56.51 2jpf s HIS 7 Cb -0.11 0.18 -0.04 0.00 -0.13 0.00 0.00 32.58 32.48 2jpf s HIS 7 CO 0.09 -0.26 1.88 0.00 -2.47 0.00 0.00 174.74 173.98 2jpf s ALA 8 N 0.82 3.06 0.84 1.58 0.00 -1.26 -4.97 121.76 121.82 2jpf s ALA 8 Ca -0.05 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 2jpf s ALA 8 Cb -0.06 -3.95 0.10 0.00 0.00 0.00 0.00 23.12 19.20 2jpf s ALA 8 CO -0.06 -2.30 1.09 -1.25 0.00 0.00 0.00 175.76 173.24 2jpf s PRO 9 N 5.36 1.72 1.18 0.00 0.04 -1.26 -5.01 135.00 137.03 2jpf s PRO 9 Ca 0.84 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 2jpf s PRO 9 Cb -0.29 -1.85 0.26 0.00 0.04 0.00 0.00 34.50 32.66 2jpf s PRO 9 CO 0.34 -1.96 0.78 0.43 0.04 0.00 0.00 177.00 176.63 2jpf n SER 10 N -3.72 -2.01 -4.52 6.66 7.64 -1.26 -4.77 113.62 111.65 2jpf n SER 10 Ca 0.08 -0.19 -0.46 0.00 1.01 0.00 0.00 58.87 59.31 2jpf n SER 10 Cb 0.54 -1.18 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 2jpf n SER 10 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jpf n HIS 11 N -4.93 1.73 -3.65 1.43 8.25 -1.26 -4.72 115.22 112.07 2jpf n HIS 11 Ca 0.02 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.46 2jpf n HIS 11 Cb 0.56 -2.62 -0.03 0.00 1.12 0.00 0.00 29.99 29.01 2jpf n HIS 11 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jpf s ALA 12 N 8.18 -1.15 0.31 -1.41 0.00 -1.26 -5.02 121.76 121.40 2jpf s ALA 12 Ca 1.05 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 53.04 2jpf s ALA 12 Cb -0.58 0.84 0.81 0.00 0.00 0.00 0.00 23.12 24.19 2jpf s ALA 12 CO 0.41 -0.80 1.58 -2.95 0.00 0.00 0.00 175.76 174.00 2jpf h ASN 13 N 2.14 -0.33 -0.60 0.00 7.08 -1.94 0.53 115.58 122.46 2jpf h ASN 13 Ca -0.30 0.27 0.12 0.00 -3.08 0.00 0.00 56.30 53.31 2jpf h ASN 13 Cb 1.27 0.43 -0.10 0.00 -2.08 0.00 0.00 38.32 37.85 2jpf h ASN 13 CO 0.37 -0.34 0.04 -0.07 -2.08 0.00 0.00 177.43 175.35 2jpf h LEU 14 N 0.03 -0.19 -0.52 6.14 3.38 -1.96 -1.63 115.31 120.58 2jpf h LEU 14 Ca 0.62 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.82 2jpf h LEU 14 Cb 1.32 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 42.19 2jpf h LEU 14 CO -0.87 -0.08 -0.29 0.44 0.09 0.00 0.00 178.44 177.74 2jpf h ASP 15 N 0.16 -0.99 -1.75 -0.43 3.32 -0.21 -3.36 116.42 113.15 2jpf h ASP 15 Ca 0.31 0.20 -0.49 0.00 0.02 0.00 0.00 57.03 57.08 2jpf h ASP 15 Cb 0.50 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2jpf h ASP 15 CO -0.48 -0.29 1.57 -0.69 -1.72 0.00 0.00 179.24 177.63 2jpf s VAL 16 N -6.05 3.06 0.13 -1.35 1.01 -0.61 -4.85 120.40 111.74 2jpf s VAL 16 Ca -0.14 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 2jpf s VAL 16 Cb 0.16 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2jpf s VAL 16 CO 0.70 -0.12 1.60 0.07 0.00 0.00 0.00 175.10 177.35 2jpf h LYS 17 N 18.19 -0.45 -3.25 2.72 2.10 -1.82 -3.47 116.57 130.60 2jpf h LYS 17 Ca -0.27 0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.35 2jpf h LYS 17 Cb 1.25 0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.66 2jpf h LYS 17 CO 1.13 -0.30 0.16 -1.58 -2.00 0.00 0.00 179.45 176.86 2jpf s TRP 18 N -5.95 0.26 0.31 0.07 0.51 -1.26 -5.00 118.94 107.87 2jpf s TRP 18 Ca -0.15 -0.80 0.07 0.00 -2.12 0.00 0.00 56.10 53.09 2jpf s TRP 18 Cb 0.10 0.61 0.80 0.00 -0.81 0.00 0.00 33.47 34.17 2jpf s TRP 18 CO 0.65 -1.41 1.74 1.25 -0.51 0.00 0.00 176.95 178.67 2jpf h LEU 19 N 2.04 0.64 -9.49 2.99 6.46 -1.89 -3.41 115.31 112.63 2jpf h LEU 19 Ca -0.29 0.13 -0.61 0.00 -0.12 0.00 0.00 57.88 56.99 2jpf h LEU 19 Cb 1.25 0.03 0.09 0.00 -0.73 0.00 0.00 40.66 41.29 2jpf h LEU 19 CO 0.37 0.13 0.43 -0.67 -0.62 0.00 0.00 178.44 178.09 2jpf n ASP 20 N -4.88 2.09 -4.15 1.25 2.03 -1.26 -4.90 116.55 106.72 2jpf n ASP 20 Ca 0.25 1.15 -0.35 0.00 0.52 0.00 0.00 54.79 56.35 2jpf n ASP 20 Cb 0.67 -1.34 0.11 0.00 -0.72 0.00 0.00 41.12 39.84 2jpf n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jpf n GLY 21 N 1.91 -2.75 3.31 0.27 0.00 -1.26 -4.91 105.19 101.76 2jpf n GLY 21 Ca 0.12 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 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 2.89 2.43 0.18 0.99 1.02 -1.26 -4.94 118.68 119.99 2jpf s LEU 22 Ca 0.47 -1.09 -0.21 0.00 0.02 0.00 0.00 54.13 53.32 2jpf s LEU 22 Cb -0.02 -0.41 0.10 0.00 0.02 0.00 0.00 46.19 45.88 2jpf s LEU 22 CO 0.66 -0.36 1.61 0.03 0.02 0.00 0.00 176.35 178.31 2jpf h ARG 23 N 2.60 -0.18 -0.44 1.70 -0.00 -2.03 -1.22 114.38 114.81 2jpf h ARG 23 Ca -0.38 0.01 0.09 0.00 -0.50 0.00 0.00 59.98 59.21 2jpf h ARG 23 Cb 1.21 0.04 -0.09 0.00 0.00 0.00 0.00 29.97 31.13 2jpf h ARG 23 CO 0.64 -0.12 -0.15 0.00 0.00 0.00 0.00 179.97 180.34 2jpf h ALA 24 N 0.98 0.22 0.00 0.04 0.00 -2.04 -3.46 119.26 115.01 2jpf h ALA 24 Ca 0.20 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2jpf h ALA 24 Cb 0.51 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2jpf h ALA 24 CO -0.57 -0.49 0.00 0.41 0.00 0.00 0.00 179.25 178.60 2jpf n GLY 25 N -1.36 0.27 0.03 0.00 0.00 -0.46 -5.01 105.19 98.67 2jpf n GLY 25 Ca 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.47 2jpf n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jpf n SER 26 N 0.00 0.10 0.02 1.61 3.41 -1.26 -3.43 113.62 114.07 2jpf n SER 26 Ca 0.00 -1.92 -0.22 0.00 -0.26 0.00 0.00 58.87 56.47 2jpf n SER 26 Cb 0.00 -0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.80 2jpf n SER 26 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2jpf h MET 27 N 0.11 0.30 -6.60 4.33 2.86 -1.95 -2.95 114.93 111.03 2jpf h MET 27 Ca 0.00 -0.51 -0.59 0.00 -2.06 0.00 0.00 59.70 56.55 2jpf h MET 27 Cb 0.03 0.19 0.11 0.00 0.06 0.00 0.00 31.60 31.98 2jpf h MET 27 CO 0.00 1.24 0.31 0.00 1.06 0.00 0.00 176.91 179.52 2jpf n ALA 28 N -2.97 0.50 -3.72 6.32 0.00 -1.22 -1.92 120.51 117.50 2jpf n ALA 28 Ca -0.29 0.38 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 2jpf n ALA 28 Cb 1.02 -2.13 0.05 0.00 0.00 0.00 0.00 19.45 18.39 2jpf n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jpf n LEU 29 N 1.00 -3.10 -2.76 0.00 4.32 -1.26 -1.77 117.00 113.44 2jpf n LEU 29 Ca 0.07 -0.69 -0.12 0.00 -0.02 0.00 0.00 56.01 55.25 2jpf n LEU 29 Cb 0.34 -2.79 -0.02 0.00 -1.62 0.00 0.00 43.42 39.32 2jpf n LEU 29 CO 0.61 0.51 -0.04 0.00 -1.22 0.00 0.00 177.39 177.24 2jpf n GLN 30 N -4.65 -2.02 -0.71 3.23 10.64 -0.81 -4.58 117.38 118.49 2jpf n GLN 30 Ca -0.07 0.04 0.53 0.00 -1.83 0.00 0.00 57.00 55.67 2jpf n GLN 30 Cb 0.58 -3.75 0.82 0.00 -0.86 0.00 0.00 30.24 27.03 2jpf n GLN 30 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jpf n GLY 31 N -0.59 -0.99 0.49 2.61 0.00 -0.73 0.14 105.19 106.12 2jpf n GLY 31 Ca 0.03 0.70 -0.18 0.00 0.00 0.00 0.00 46.02 46.57 2jpf n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jpf h ASP 32 N 0.00 -1.31 0.19 1.61 3.32 -1.78 -2.78 116.42 115.66 2jpf h ASP 32 Ca 0.95 0.10 -0.35 0.00 0.02 0.00 0.00 57.03 57.75 2jpf h ASP 32 Cb 3.77 0.43 0.01 0.00 0.22 0.00 0.00 39.33 43.75 2jpf h ASP 32 CO -0.03 -0.66 -1.75 0.58 -1.72 0.00 0.00 179.24 175.66 2jpf h VAL 33 N -1.01 0.93 -1.64 -1.35 2.07 -1.11 -3.26 116.25 110.89 2jpf h VAL 33 Ca -0.06 -2.50 0.48 0.00 0.82 0.00 0.00 66.70 65.43 2jpf h VAL 33 Cb 0.87 2.76 -0.07 0.00 -1.52 0.00 0.00 31.29 33.32 2jpf h VAL 33 CO -0.04 0.86 1.17 0.50 0.02 0.00 0.00 177.57 180.08 2jpf h LYS 34 N 0.09 0.01 0.00 1.57 3.64 -0.37 1.34 116.57 122.85 2jpf h LYS 34 Ca -0.35 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.75 2jpf h LYS 34 Cb 2.09 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.86 2jpf h LYS 34 CO 0.17 0.01 -1.70 1.33 -2.27 0.00 0.00 179.45 176.99 2jpf n VAL 35 N -4.10 1.55 0.31 2.00 0.24 -1.05 -4.00 118.33 113.28 2jpf n VAL 35 Ca 0.37 -0.79 0.08 0.00 -2.04 0.00 0.00 64.34 61.97 2jpf n VAL 35 Cb 1.69 -0.98 0.43 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.00 0.01 6.34 4.06 0.17 0.45 115.95 126.98 2jpf h TRP 36 Ca -0.28 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.67 2jpf h TRP 36 Cb 1.97 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.13 2jpf h TRP 36 CO 0.00 0.00 -0.00 1.98 -3.56 0.00 0.00 178.44 176.86 2jpf h MET 37 N 0.00 -0.01 -0.16 0.49 4.05 -1.68 -3.29 114.93 114.33 2jpf h MET 37 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2jpf h MET 37 Cb 1.20 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2jpf h MET 37 CO 0.00 0.30 0.08 -0.56 0.23 0.00 0.00 176.91 176.96 2jpf h GLN 38 N -1.00 0.21 -0.86 0.39 3.07 -1.20 -1.39 115.11 114.33 2jpf h GLN 38 Ca -0.00 -0.02 0.07 0.00 0.09 0.00 0.00 58.65 58.79 2jpf h GLN 38 Cb 0.31 -0.05 -0.06 0.00 0.08 0.00 0.00 27.48 27.76 2jpf h GLN 38 CO 0.00 0.16 0.53 -0.91 0.09 0.00 0.00 178.83 178.70 2jpf h ASN 39 N 0.22 0.82 0.17 0.06 -0.26 -1.24 -2.45 115.58 112.89 2jpf h ASN 39 Ca 0.06 0.02 -0.23 0.00 -0.56 0.00 0.00 56.30 55.59 2jpf h ASN 39 Cb 0.02 -0.14 0.02 0.00 -1.06 0.00 0.00 38.32 37.16 2jpf h ASN 39 CO -0.01 0.51 -1.02 -0.07 -1.06 0.00 0.00 177.43 175.77 2jpf h LEU 40 N 0.94 0.55 -0.93 1.61 3.38 -1.46 -2.86 115.31 116.55 2jpf h LEU 40 Ca 0.39 -0.94 0.27 0.00 0.09 0.00 0.00 57.88 57.69 2jpf h LEU 40 Cb 0.22 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.65 2jpf h LEU 40 CO -0.19 1.49 0.31 -0.08 0.09 0.00 0.00 178.44 180.05 2jpf h GLU 41 N -0.25 0.19 0.00 1.13 4.81 -1.01 1.21 114.58 120.67 2jpf h GLU 41 Ca -0.18 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2jpf h GLU 41 Cb 1.78 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.11 2jpf h GLU 41 CO 0.17 0.13 -0.54 0.22 -0.73 0.00 0.00 179.01 178.26 2jpf h ASP 42 N 0.20 0.00 0.00 1.04 1.82 -1.55 -3.34 116.42 114.59 2jpf h ASP 42 Ca 0.62 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.26 2jpf h ASP 42 Cb 1.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.33 2jpf h ASP 42 CO -0.68 0.12 -0.03 0.25 -1.61 0.00 0.00 179.24 177.30 2jpf h LEU 43 N 0.00 0.00 -1.66 2.28 7.12 0.12 -3.33 115.31 119.83 2jpf h LEU 43 Ca -0.02 0.00 0.49 0.00 0.13 0.00 0.00 57.88 58.49 2jpf h LEU 43 Cb 1.11 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.13 2jpf h LEU 43 CO 0.01 0.51 1.08 -0.74 -0.13 0.00 0.00 178.44 179.17 2jpf h HIS 44 N -0.99 0.29 -0.96 1.25 2.76 0.93 0.60 115.15 119.04 2jpf h HIS 44 Ca 0.00 0.01 0.22 0.00 -2.20 0.00 0.00 60.37 58.41 2jpf h HIS 44 Cb 0.03 -0.07 -0.12 0.00 1.55 0.00 0.00 27.41 28.80 2jpf h HIS 44 CO -0.01 -0.13 0.52 0.00 -1.30 0.00 0.00 177.93 177.01 2jpf h THR 45 N 0.03 0.56 0.00 6.26 1.03 -1.68 -3.12 112.91 115.99 2jpf h THR 45 Ca 0.86 -0.19 -0.17 0.00 -0.01 0.00 0.00 66.41 66.91 2jpf h THR 45 Cb 3.07 -0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 70.07 2jpf h THR 45 CO -0.25 0.10 -1.29 -1.14 -0.01 0.00 0.00 175.52 172.93 2jpf n ARG 46 N -4.92 0.53 -3.71 0.00 3.00 0.20 -4.97 116.66 106.80 2jpf n ARG 46 Ca 0.24 0.40 -0.19 0.00 -0.00 0.00 0.00 57.85 58.31 2jpf n ARG 46 Cb 0.67 -1.60 -0.17 0.00 0.00 0.00 0.00 32.46 31.36 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 -2.49 -0.00 0.05 -0.14 3.52 -0.80 -5.04 118.95 114.04 2jpf s ARG 47 Ca -0.27 0.30 -0.20 0.00 -0.13 0.00 0.00 55.73 55.43 2jpf s ARG 47 Cb 0.06 -0.48 -0.14 0.00 -1.56 0.00 0.00 34.95 32.83 2jpf s ARG 47 CO 0.43 -0.28 1.35 -1.00 -0.81 0.00 0.00 175.30 174.99 2jpf h PRO 48 N 8.12 0.39 0.00 5.12 0.13 -1.82 -2.57 132.00 141.37 2jpf h PRO 48 Ca -0.22 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2jpf h PRO 48 Cb 1.12 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jpf h PRO 48 CO 0.25 0.76 0.00 0.22 -0.23 0.00 0.00 178.00 179.00 2jpf h ASP 49 N 0.03 0.00 0.73 1.44 3.58 -1.96 -1.52 116.42 118.72 2jpf h ASP 49 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2jpf h ASP 49 Cb 0.69 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2jpf h ASP 49 CO 0.04 0.00 -0.82 1.21 -2.88 0.00 0.00 179.24 176.78 2jpf n GLU 50 N -2.86 0.34 -0.25 0.28 2.13 -1.13 -4.20 120.64 114.94 2jpf n GLU 50 Ca -0.00 0.06 0.05 0.00 0.66 0.00 0.00 57.16 57.93 2jpf n GLU 50 Cb 0.20 -1.67 0.17 0.00 0.27 0.00 0.00 31.44 30.40 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jpf h PHE 51 N 0.00 0.09 0.00 4.31 -5.15 -0.86 0.57 116.94 115.90 2jpf h PHE 51 Ca 0.00 0.05 -0.04 0.00 -0.20 0.00 0.00 57.97 57.78 2jpf h PHE 51 Cb 0.78 0.07 -0.01 0.00 0.22 0.00 0.00 35.95 37.02 2jpf h PHE 51 CO 0.00 -0.18 -0.17 1.79 -2.00 0.00 0.00 178.31 177.75 2jpf h THR 52 N 0.17 0.93 0.00 0.88 1.35 -1.75 -1.98 112.91 112.50 2jpf h THR 52 Ca 0.41 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2jpf h THR 52 Cb 0.72 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2jpf h THR 52 CO -0.59 0.17 0.06 0.00 -0.25 0.00 0.00 175.52 174.90 2jpf h ALA 53 N 1.83 1.05 0.09 6.62 0.00 -0.08 0.93 119.26 129.70 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 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jpf h ALA 53 CO 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.18 2jpf h ARG 54 N 0.00 -0.12 0.00 0.00 2.47 -1.34 -3.32 114.38 112.07 2jpf h ARG 54 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2jpf h ARG 54 Cb 0.11 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2jpf h ARG 54 CO 0.00 -0.08 0.00 1.37 0.56 0.00 0.00 179.97 181.82 2jpf h LEU 55 N -0.25 0.00 0.07 3.04 -0.00 -1.69 -3.33 115.31 113.15 2jpf h LEU 55 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.89 2jpf h LEU 55 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.71 2jpf h LEU 55 CO 0.02 0.00 -0.42 -0.61 -0.00 0.00 0.00 178.44 177.43 2jpf h GLN 56 N 0.00 -0.59 -0.79 0.17 5.75 0.77 0.22 115.11 120.64 2jpf h GLN 56 Ca 0.00 0.04 0.22 0.00 -0.15 0.00 0.00 58.65 58.76 2jpf h GLN 56 Cb 0.81 0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.46 2jpf h GLN 56 CO 0.00 -0.40 0.56 1.96 -2.65 0.00 0.00 178.83 178.30 2jpf h GLN 57 N -0.62 0.07 0.10 1.69 1.08 -1.67 -1.94 115.11 113.83 2jpf h GLN 57 Ca 0.03 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2jpf h GLN 57 Cb 0.67 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2jpf h GLN 57 CO -0.27 0.05 -0.05 0.77 -0.95 0.00 0.00 178.83 178.37 2jpf h SER 58 N 0.07 -0.12 -1.17 1.46 0.02 -1.20 -3.23 113.55 109.39 2jpf h SER 58 Ca 0.38 -0.43 0.34 0.00 -0.84 0.00 0.00 61.79 61.24 2jpf h SER 58 Cb 1.40 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.93 2jpf h SER 58 CO -0.03 0.52 1.14 0.74 -1.14 0.00 0.00 176.83 178.06 2jpf h THR 59 N -0.91 0.07 -0.56 -2.27 2.02 0.14 0.91 112.91 112.32 2jpf h THR 59 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.28 2jpf h THR 59 Cb 0.54 0.11 -0.11 0.00 -1.74 0.00 0.00 68.15 66.95 2jpf h THR 59 CO 0.02 0.00 -0.21 -0.78 0.37 0.00 0.00 175.52 174.92 2jpf h ASP 60 N 0.00 -0.74 -1.07 4.18 3.58 -1.54 0.34 116.42 121.17 2jpf h ASP 60 Ca 0.55 0.19 0.29 0.00 0.42 0.00 0.00 57.03 58.48 2jpf h ASP 60 Cb 2.84 0.43 -0.11 0.00 1.72 0.00 0.00 39.33 44.21 2jpf h ASP 60 CO -0.01 -0.24 0.67 0.00 -2.88 0.00 0.00 179.24 176.79 2jpf h ALA 61 N 1.35 2.21 0.00 -0.78 0.00 -1.03 -0.81 119.26 120.20 2jpf h ALA 61 Ca 0.26 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2jpf h ALA 61 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jpf h ALA 61 CO -0.61 -0.66 -0.23 1.25 0.00 0.00 0.00 179.25 178.99 2jpf h LEU 62 N 0.38 0.00 -0.89 0.00 6.46 -0.72 -2.29 115.31 118.25 2jpf h LEU 62 Ca 0.64 -0.65 0.22 0.00 -0.12 0.00 0.00 57.88 57.97 2jpf h LEU 62 Cb 1.60 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 41.37 2jpf h LEU 62 CO -0.36 0.96 -0.01 0.22 -0.62 0.00 0.00 178.44 178.63 2jpf h TYR 63 N -1.00 -0.10 0.03 1.25 5.03 0.27 0.34 116.97 122.79 2jpf h TYR 63 Ca -0.06 0.07 -0.21 0.00 2.58 0.00 0.00 58.73 61.12 2jpf h TYR 63 Cb 0.81 0.19 0.02 0.00 1.55 0.00 0.00 36.73 39.29 2jpf h TYR 63 CO 0.16 -0.35 -0.82 1.03 -1.32 0.00 0.00 178.16 176.87 2jpf h SER 64 N 0.05 0.67 -0.98 -2.11 0.87 -1.32 -2.47 113.55 108.26 2jpf h SER 64 Ca 0.51 -0.78 0.14 0.00 -1.23 0.00 0.00 61.79 60.43 2jpf h SER 64 Cb 0.96 -0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 62.62 2jpf h SER 64 CO -0.82 1.37 0.62 -0.74 -0.53 0.00 0.00 176.83 176.72 2jpf h HIS 65 N 0.05 1.05 0.21 2.24 -0.00 -0.25 0.52 115.15 118.98 2jpf h HIS 65 Ca -0.11 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 2jpf h HIS 65 Cb 1.52 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 2jpf h HIS 65 CO 0.14 0.37 -0.10 1.25 -0.00 0.00 0.00 177.93 179.58 2jpf h LEU 66 N 0.87 -0.24 -1.62 0.26 5.85 -0.51 0.32 115.31 120.24 2jpf h LEU 66 Ca 0.51 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.45 2jpf h LEU 66 Cb 0.65 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2jpf h LEU 66 CO -0.28 0.19 0.60 -0.08 -0.34 0.00 0.00 178.44 178.53 2jpf h GLU 67 N -1.00 0.30 0.00 1.25 4.81 -1.28 1.44 114.58 120.10 2jpf h GLU 67 Ca -0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2jpf h GLU 67 Cb 0.21 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jpf h GLU 67 CO 0.05 0.20 -0.17 0.00 -0.73 0.00 0.00 179.01 178.35 2jpf h ALA 68 N 1.61 0.00 0.59 2.92 0.00 -0.03 -3.24 119.26 121.11 2jpf h ALA 68 Ca 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 2jpf h ALA 68 Cb 1.27 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.24 2jpf h ALA 68 CO -0.14 0.17 -0.28 0.37 0.00 0.00 0.00 179.25 179.37 2jpf h GLN 69 N -1.00 -0.76 -1.20 0.00 5.75 -0.10 -2.88 115.11 114.91 2jpf h GLN 69 Ca -0.00 0.05 0.34 0.00 -0.15 0.00 0.00 58.65 58.90 2jpf h GLN 69 Cb 0.18 0.17 -0.08 0.00 1.07 0.00 0.00 27.48 28.82 2jpf h GLN 69 CO -0.00 -0.45 0.82 2.35 -2.65 0.00 0.00 178.83 178.89 2jpf h TRP 70 N -1.00 0.34 -0.99 3.99 2.91 0.19 0.18 115.95 121.57 2jpf h TRP 70 Ca -0.08 0.01 0.27 0.00 1.13 0.00 0.00 58.89 60.22 2jpf h TRP 70 Cb 0.66 -0.09 -0.13 0.00 -0.51 0.00 0.00 29.16 29.09 2jpf h TRP 70 CO -0.00 -0.01 0.56 0.00 -1.03 0.00 0.00 178.44 177.96 2jpf h ALA 71 N 1.49 1.80 -1.03 2.65 0.00 -1.51 0.48 119.26 123.14 2jpf h ALA 71 Ca 0.64 0.15 0.30 0.00 0.00 0.00 0.00 54.91 56.00 2jpf h ALA 71 Cb 2.13 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.95 2jpf h ALA 71 CO -0.19 -0.37 0.74 0.87 0.00 0.00 0.00 179.25 180.31 2jpf h LYS 72 N 0.48 0.03 0.70 0.00 6.56 -0.77 -1.68 116.57 121.90 2jpf h LYS 72 Ca 0.66 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.22 2jpf h LYS 72 Cb 1.34 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 33.00 2jpf h LYS 72 CO -0.52 0.02 -0.34 1.96 -2.06 0.00 0.00 179.45 178.51 2jpf h GLN 73 N 0.03 -0.90 0.00 3.15 1.08 -0.20 -3.45 115.11 114.82 2jpf h GLN 73 Ca 0.50 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.76 2jpf h GLN 73 Cb 1.93 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 29.57 2jpf h GLN 73 CO -0.02 -0.60 -0.11 0.72 -0.95 0.00 0.00 178.83 177.86 2jpf n HIS 74 N -4.77 -0.80 0.00 2.96 8.25 -0.70 -5.05 115.22 115.11 2jpf n HIS 74 Ca -0.12 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2jpf n HIS 74 Cb 0.37 0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.92 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 1.78 0.41 0.08 -1.41 0.00 -0.78 -4.96 105.19 100.31 2jpf n GLY 75 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.97 1.45 0.20 2.61 5.66 -1.26 -4.47 114.28 116.51 2jpf n THR 76 Ca 0.00 0.15 0.06 0.00 -3.05 0.00 0.00 64.05 61.21 2jpf n THR 76 Cb 0.00 -2.33 0.41 0.00 -1.55 0.00 0.00 70.33 66.86 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 -1.00 0.00 -5.86 1.09 0.13 -1.99 -3.41 132.00 120.96 2jpf h PRO 77 Ca -0.06 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.66 2jpf h PRO 77 Cb 0.75 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.83 2jpf h PRO 77 CO -0.04 0.33 1.07 -1.25 -0.23 0.00 0.00 178.00 177.89 2jpf s PRO 78 N -3.84 2.60 0.04 1.56 0.04 -1.26 -4.34 135.00 129.80 2jpf s PRO 78 Ca -0.01 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 61.02 2jpf s PRO 78 Cb 0.12 -4.70 0.05 0.00 0.04 0.00 0.00 34.50 30.01 2jpf s PRO 78 CO 0.68 -3.03 0.48 0.95 0.04 0.00 0.00 177.00 176.12 2jpf s THR 79 N 9.53 0.04 0.64 1.26 -4.23 -1.26 -4.91 115.64 116.70 2jpf s THR 79 Ca 0.68 -0.33 0.14 0.00 -1.18 0.00 0.00 61.69 61.00 2jpf s THR 79 Cb -0.10 -0.96 0.14 0.00 1.34 0.00 0.00 72.50 72.92 2jpf s THR 79 CO 0.11 -0.18 1.41 0.00 -0.54 0.00 0.00 174.62 175.42 2jpf h ALA 80 N 2.88 1.67 0.00 3.99 0.00 -1.94 0.40 119.26 126.27 2jpf h ALA 80 Ca -0.31 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jpf h ALA 80 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jpf h ALA 80 CO 0.42 -0.67 -0.00 1.03 0.00 0.00 0.00 179.25 180.03 2jpf h SER 81 N 0.00 -0.01 -0.01 0.00 0.87 -1.94 -3.34 113.55 109.12 2jpf h SER 81 Ca 0.00 -0.82 -0.05 0.00 -1.23 0.00 0.00 61.79 59.69 2jpf h SER 81 Cb 1.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2jpf h SER 81 CO 0.00 0.89 -0.19 0.44 -0.53 0.00 0.00 176.83 177.44 2jpf h ASP 82 N -0.98 0.19 -0.76 6.23 5.19 -0.76 -3.20 116.42 122.33 2jpf h ASP 82 Ca -0.00 -0.74 0.22 0.00 -0.62 0.00 0.00 57.03 55.89 2jpf h ASP 82 Cb 0.82 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.24 2jpf h ASP 82 CO 0.00 0.90 1.12 0.58 -3.12 0.00 0.00 179.24 178.72 2jpf h VAL 83 N -0.51 0.02 -0.66 -1.35 2.07 -0.57 0.62 116.25 115.88 2jpf h VAL 83 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 2jpf h VAL 83 Cb 0.92 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 2jpf h VAL 83 CO 0.04 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.54 2jpf h VAL 84 N 0.00 0.88 0.00 2.57 2.07 -1.67 -3.26 116.25 116.84 2jpf h VAL 84 Ca 0.36 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2jpf h VAL 84 Cb 2.60 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 2jpf h VAL 84 CO -0.00 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.30 2jpf n GLY 85 N -1.29 -0.42 0.14 2.17 0.00 0.17 -4.69 105.19 101.27 2jpf n GLY 85 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.37 -7.40 1.61 -1.53 -0.32 -3.45 114.93 104.21 2jpf h MET 86 Ca 0.00 -0.08 -0.41 0.00 -3.44 0.00 0.00 59.70 55.77 2jpf h MET 86 Cb 0.24 -0.05 0.20 0.00 -0.55 0.00 0.00 31.60 31.43 2jpf h MET 86 CO 0.00 0.45 0.13 -1.25 0.14 0.00 0.00 176.91 176.38 2jpf s PRO 87 N -5.40 -1.40 0.02 0.39 0.04 -1.25 -4.99 135.00 122.40 2jpf s PRO 87 Ca -0.14 -0.12 -0.02 0.00 0.04 0.00 0.00 61.00 60.76 2jpf s PRO 87 Cb 0.08 -1.58 -0.27 0.00 0.04 0.00 0.00 34.50 32.76 2jpf s PRO 87 CO 0.72 -3.82 0.94 -0.56 0.04 0.00 0.00 177.00 174.32 2jpf h GLN 88 N -2.65 0.23 -1.11 4.56 3.07 -1.95 -3.31 115.11 113.94 2jpf h GLN 88 Ca -0.44 -0.39 0.32 0.00 0.09 0.00 0.00 58.65 58.23 2jpf h GLN 88 Cb 1.29 0.14 -0.04 0.00 0.08 0.00 0.00 27.48 28.95 2jpf h GLN 88 CO 0.32 1.10 1.15 0.11 0.09 0.00 0.00 178.83 181.60 2jpf h TRP 89 N 0.06 0.00 0.57 0.06 5.08 -1.95 0.60 115.95 120.37 2jpf h TRP 89 Ca -0.21 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.74 2jpf h TRP 89 Cb 1.99 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 28.16 2jpf h TRP 89 CO 0.06 0.00 -0.27 0.37 -1.28 0.00 0.00 178.44 177.31 2jpf h GLN 90 N 0.00 -0.73 0.09 0.12 4.15 -1.84 -3.00 115.11 113.91 2jpf h GLN 90 Ca 0.53 0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.86 2jpf h GLN 90 Cb 2.82 0.17 0.02 0.00 0.21 0.00 0.00 27.48 30.69 2jpf h GLN 90 CO -0.01 -0.43 -0.57 1.49 -1.93 0.00 0.00 178.83 177.38 2jpf h GLU 91 N -1.09 0.23 -0.48 1.69 4.81 -0.78 -3.19 114.58 115.77 2jpf h GLU 91 Ca -0.08 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2jpf h GLU 91 Cb 0.64 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 2jpf h GLU 91 CO 0.13 1.16 -0.35 -0.92 -0.73 0.00 0.00 179.01 178.29 2jpf h TYR 92 N -0.51 -1.12 0.06 0.92 3.20 -0.14 0.27 116.97 119.65 2jpf h TYR 92 Ca -0.10 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.87 2jpf h TYR 92 Cb 1.43 0.55 -0.04 0.00 1.54 0.00 0.00 36.73 40.21 2jpf h TYR 92 CO 0.21 -0.25 -0.31 1.79 -1.64 0.00 0.00 178.16 177.96 2jpf h THR 93 N -0.09 0.33 -0.97 1.81 1.35 -1.69 -1.65 112.91 111.99 2jpf h THR 93 Ca 0.08 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 66.20 2jpf h THR 93 Cb 0.29 0.33 -0.13 0.00 -1.73 0.00 0.00 68.15 66.91 2jpf h THR 93 CO -0.50 0.00 0.52 0.00 -0.25 0.00 0.00 175.52 175.29 2jpf h ALA 94 N 0.20 1.73 -0.25 6.62 0.00 -1.30 0.76 119.26 127.02 2jpf h ALA 94 Ca 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jpf h ALA 94 Cb 0.56 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2jpf h ALA 94 CO -0.22 -0.39 0.06 0.52 0.00 0.00 0.00 179.25 179.22 2jpf h MET 95 N 0.44 0.35 0.02 0.00 2.07 0.46 0.52 114.93 118.80 2jpf h MET 95 Ca 0.65 -0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 58.23 2jpf h MET 95 Cb 1.32 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.98 2jpf h MET 95 CO -0.54 0.33 -0.01 -0.07 1.07 0.00 0.00 176.91 177.69 2jpf h LEU 96 N 0.35 -0.03 -1.36 1.22 3.38 0.75 0.08 115.31 119.71 2jpf h LEU 96 Ca 0.09 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2jpf h LEU 96 Cb 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2jpf h LEU 96 CO -0.00 0.70 0.15 0.08 0.09 0.00 0.00 178.44 179.45 2jpf h ARG 97 N -0.99 0.58 0.03 1.13 0.11 -0.91 1.63 114.38 115.96 2jpf h ARG 97 Ca -0.00 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 2jpf h ARG 97 Cb 0.51 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2jpf h ARG 97 CO 0.01 0.50 -0.01 1.49 0.10 0.00 0.00 179.97 182.05 2jpf h GLU 98 N 0.58 -0.03 0.07 0.08 4.81 -0.07 -3.40 114.58 116.62 2jpf h GLU 98 Ca 0.14 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jpf h GLU 98 Cb 0.14 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jpf h GLU 98 CO -0.01 0.52 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.66 2jpf h ARG 99 N -0.98 -0.10 -4.75 1.92 9.65 -0.93 -3.47 114.38 115.73 2jpf h ARG 99 Ca -0.00 0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 58.65 2jpf h ARG 99 Cb 0.57 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.12 2jpf h ARG 99 CO 0.01 0.03 -0.33 1.97 2.80 0.00 0.00 179.97 184.44 2jpf n PHE 100 N -4.83 -1.66 0.03 2.20 -1.74 0.56 -4.80 117.46 107.21 2jpf n PHE 100 Ca -0.02 0.17 -0.18 0.00 -0.56 0.00 0.00 57.45 56.85 2jpf n PHE 100 Cb 0.08 -2.32 -0.14 0.00 1.52 0.00 0.00 39.48 38.62 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 0.99 0.40 0.00 1.98 0.00 -1.87 -3.36 119.26 117.39 2jpf h ALA 101 Ca -0.27 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.35 2jpf h ALA 101 Cb 1.19 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2jpf h ALA 101 CO 0.33 1.26 -0.27 0.78 0.00 0.00 0.00 179.25 181.36 2jpf h GLY 102 N 1.57 0.00 -1.76 0.00 0.00 -1.95 -3.36 103.07 97.57 2jpf h GLY 102 Ca -0.34 0.00 0.51 0.00 0.00 0.00 0.00 47.33 47.50 2jpf h GLY 102 CO 0.12 0.00 1.34 1.47 0.00 0.00 0.00 176.54 179.47 2jpf n LEU 103 N -4.10 0.00 -0.26 3.11 -0.00 -1.26 0.31 117.00 114.80 2jpf n LEU 103 Ca -0.04 0.92 0.07 0.00 -0.00 0.00 0.00 56.01 56.96 2jpf n LEU 103 Cb 0.14 -0.44 0.20 0.00 -0.00 0.00 0.00 43.42 43.32 2jpf n LEU 103 CO 0.06 -0.92 0.89 0.44 -0.00 0.00 0.00 177.39 177.86 2jpf h ASP 104 N 0.00 -0.14 -1.63 1.45 5.19 -1.71 0.11 116.42 119.69 2jpf h ASP 104 Ca 0.83 0.18 0.47 0.00 -0.62 0.00 0.00 57.03 57.89 2jpf h ASP 104 Cb 3.51 0.27 -0.07 0.00 0.18 0.00 0.00 39.33 43.23 2jpf h ASP 104 CO -0.01 -0.12 1.18 1.07 -3.12 0.00 0.00 179.24 178.24 2jpf n THR 105 N -5.25 0.00 0.00 0.35 5.66 0.15 -5.15 114.28 110.04 2jpf n THR 105 Ca 0.16 1.23 0.00 0.00 -3.05 0.00 0.00 64.05 62.39 2jpf n THR 105 Cb 0.52 -2.06 0.00 0.00 -1.55 0.00 0.00 70.33 67.24 2jpf n THR 105 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02