#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 -0.31 -5.86 1.97 7.50 -2.13 -3.47 115.11 112.80 2jpf h GLN 2 Ca 0.00 0.02 -0.41 0.00 0.50 0.00 0.00 58.65 58.76 2jpf h GLN 2 Cb 0.00 0.07 0.12 0.00 0.05 0.00 0.00 27.48 27.72 2jpf h GLN 2 CO 0.00 0.03 -0.69 0.94 -1.50 0.00 0.00 178.83 177.62 2jpf n GLN 3 N -5.07 -7.61 -4.66 1.46 7.27 -1.26 -5.00 117.38 102.52 2jpf n GLN 3 Ca -0.09 0.80 -0.30 0.00 0.07 0.00 0.00 57.00 57.49 2jpf n GLN 3 Cb 0.25 -5.84 -0.09 0.00 2.41 0.00 0.00 30.24 26.97 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 -7.30 2.47 0.38 1.69 1.43 -1.26 -5.17 118.68 110.93 2jpf s LEU 4 Ca 0.59 -1.53 0.08 0.00 -1.03 0.00 0.00 54.13 52.24 2jpf s LEU 4 Cb -0.27 -0.70 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 2jpf s LEU 4 CO 0.73 -0.69 -0.03 -1.10 0.23 0.00 0.00 176.35 175.49 2jpf s GLN 5 N -3.80 1.90 0.11 1.70 -1.52 -1.26 -5.16 119.66 111.63 2jpf s GLN 5 Ca 0.21 -2.04 -0.26 0.00 -1.95 0.00 0.00 55.36 51.32 2jpf s GLN 5 Cb 0.05 -1.64 0.07 0.00 -0.22 0.00 0.00 33.01 31.28 2jpf s GLN 5 CO 0.11 0.02 0.95 -1.83 -0.25 0.00 0.00 175.29 174.28 2jpf s GLU 6 N -3.68 1.09 -0.17 2.91 -1.05 -1.26 -5.16 118.70 111.38 2jpf s GLU 6 Ca 0.34 -0.56 -0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2jpf s GLU 6 Cb 0.07 0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 34.16 2jpf s GLU 6 CO 0.17 -0.49 -0.14 -1.01 0.95 0.00 0.00 175.26 174.74 2jpf s HIS 7 N -3.23 2.82 0.20 4.83 3.76 -1.26 -5.12 115.29 117.29 2jpf s HIS 7 Ca 0.10 -1.08 0.05 0.00 -0.15 0.00 0.00 55.06 53.99 2jpf s HIS 7 Cb -0.01 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 2jpf s HIS 7 CO -0.01 -0.52 0.20 0.00 -0.85 0.00 0.00 174.74 173.57 2jpf s ALA 8 N 0.98 3.67 0.35 -1.40 0.00 -1.26 -5.09 121.76 119.00 2jpf s ALA 8 Ca -0.02 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.40 2jpf s ALA 8 Cb -0.15 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.44 2jpf s ALA 8 CO -0.02 0.39 1.21 -1.25 0.00 0.00 0.00 175.76 176.08 2jpf s PRO 9 N -3.49 4.27 0.23 0.00 0.04 -1.26 -4.91 135.00 129.87 2jpf s PRO 9 Ca 0.32 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 63.24 2jpf s PRO 9 Cb -0.09 -2.91 0.34 0.00 0.04 0.00 0.00 34.50 31.87 2jpf s PRO 9 CO 0.25 -0.18 1.34 -1.13 0.04 0.00 0.00 177.00 177.32 2jpf n SER 10 N 0.54 -0.39 -4.76 6.66 3.41 -1.26 -4.38 113.62 113.45 2jpf n SER 10 Ca 0.02 1.48 -0.34 0.00 -0.26 0.00 0.00 58.87 59.78 2jpf n SER 10 Cb 0.44 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 64.04 2jpf n SER 10 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2jpf s HIS 11 N -6.00 2.47 0.22 7.33 3.76 -1.26 -5.06 115.29 116.75 2jpf s HIS 11 Ca -0.13 1.56 -0.00 0.00 -0.15 0.00 0.00 55.06 56.35 2jpf s HIS 11 Cb 0.21 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 2jpf s HIS 11 CO 0.65 -1.93 0.16 0.00 -0.85 0.00 0.00 174.74 172.76 2jpf s ALA 12 N -2.19 1.23 -0.03 -1.40 0.00 -1.26 -5.07 121.76 113.04 2jpf s ALA 12 Ca 0.70 -1.73 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 2jpf s ALA 12 Cb -0.23 1.39 -0.32 0.00 0.00 0.00 0.00 23.12 23.96 2jpf s ALA 12 CO 0.41 -0.61 0.77 -0.97 0.00 0.00 0.00 175.76 175.36 2jpf h ASN 13 N 2.55 0.66 -0.05 0.00 -0.73 -1.97 -3.28 115.58 112.76 2jpf h ASN 13 Ca -0.34 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 56.90 2jpf h ASN 13 Cb 1.25 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.62 2jpf h ASN 13 CO 0.51 1.74 0.00 -0.11 -0.37 0.00 0.00 177.43 179.19 2jpf n LEU 14 N -3.69 0.88 0.03 0.34 7.94 -1.26 -3.97 117.00 117.27 2jpf n LEU 14 Ca -0.22 -0.44 -0.13 0.00 -1.11 0.00 0.00 56.01 54.11 2jpf n LEU 14 Cb 1.06 -0.29 -0.09 0.00 0.53 0.00 0.00 43.42 44.63 2jpf n LEU 14 CO 0.53 0.18 0.64 -0.78 -1.11 0.00 0.00 177.39 176.86 2jpf h ASP 15 N 0.34 -0.07 -2.12 1.96 3.58 -1.99 -3.45 116.42 114.67 2jpf h ASP 15 Ca 0.00 -0.36 -0.44 0.00 0.42 0.00 0.00 57.03 56.65 2jpf h ASP 15 Cb 0.36 0.02 0.05 0.00 1.72 0.00 0.00 39.33 41.48 2jpf h ASP 15 CO 0.02 0.33 -0.06 0.68 -2.88 0.00 0.00 179.24 177.33 2jpf s VAL 16 N -4.56 2.60 0.40 2.25 -7.23 -1.25 -4.89 120.40 107.71 2jpf s VAL 16 Ca -0.15 -0.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 2jpf s VAL 16 Cb 0.02 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2jpf s VAL 16 CO 0.64 0.00 0.14 -0.54 -0.31 0.00 0.00 175.10 175.03 2jpf s LYS 17 N -4.74 1.91 1.11 4.82 1.02 -1.26 -5.08 119.74 117.52 2jpf s LYS 17 Ca 0.59 -2.16 -0.16 0.00 0.02 0.00 0.00 55.97 54.26 2jpf s LYS 17 Cb -0.09 -0.54 0.20 0.00 -0.52 0.00 0.00 37.83 36.89 2jpf s LYS 17 CO 0.38 -0.49 0.40 0.91 -0.92 0.00 0.00 175.35 175.64 2jpf n TRP 18 N -0.88 -2.49 0.25 3.18 8.01 -1.26 -4.86 117.44 119.39 2jpf n TRP 18 Ca -0.05 -0.14 0.14 0.00 -1.31 0.00 0.00 57.50 56.14 2jpf n TRP 18 Cb 0.65 -1.40 0.46 0.00 -2.01 0.00 0.00 31.31 29.01 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 -2.80 0.00 -8.21 -0.99 5.85 -1.76 -3.41 115.31 103.99 2jpf h LEU 19 Ca -0.31 0.00 -0.74 0.00 0.84 0.00 0.00 57.88 57.68 2jpf h LEU 19 Cb 0.94 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.72 2jpf h LEU 19 CO 0.20 0.04 -0.35 -0.62 -0.34 0.00 0.00 178.44 177.38 2jpf s ASP 20 N -5.96 6.01 0.00 1.25 2.15 -1.26 -4.84 116.67 114.03 2jpf s ASP 20 Ca 0.03 -1.47 0.00 0.00 0.43 0.00 0.00 52.55 51.55 2jpf s ASP 20 Cb 0.08 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 2jpf s ASP 20 CO 0.60 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 2jpf n GLY 21 N 5.13 -1.53 3.44 2.66 0.00 -1.26 -5.08 105.19 108.55 2jpf n GLY 21 Ca -0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -1.03 -0.11 0.99 0.20 -1.26 -4.45 118.68 113.02 2jpf s LEU 22 Ca 0.00 1.26 -0.16 0.00 0.69 0.00 0.00 54.13 55.92 2jpf s LEU 22 Cb 0.00 1.98 -0.14 0.00 -0.43 0.00 0.00 46.19 47.60 2jpf s LEU 22 CO 0.00 -0.23 0.46 -0.09 -0.29 0.00 0.00 176.35 176.19 2jpf h ARG 23 N 8.05 -0.02 -0.17 1.98 9.65 -1.98 -3.38 114.38 128.52 2jpf h ARG 23 Ca -0.18 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.71 2jpf h ARG 23 Cb 1.11 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 2jpf h ARG 23 CO 0.14 0.50 -0.10 0.00 2.80 0.00 0.00 179.97 183.31 2jpf n ALA 24 N -2.68 -0.11 -0.03 2.80 0.00 -1.26 -4.94 120.51 114.29 2jpf n ALA 24 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jpf n ALA 24 Cb 0.26 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.04 0.87 3.19 0.00 0.00 -1.26 -5.09 105.19 101.86 2jpf n GLY 25 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 2jpf n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jpf s SER 26 N -0.07 2.74 0.06 1.61 0.15 -1.26 -5.13 113.70 111.79 2jpf s SER 26 Ca 0.00 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.20 2jpf s SER 26 Cb 0.00 -1.03 -0.03 0.00 -1.71 0.00 0.00 66.02 63.25 2jpf s SER 26 CO 0.00 0.16 -0.08 -0.04 1.20 0.00 0.00 173.24 174.48 2jpf s MET 27 N 0.19 0.62 -1.26 5.44 -1.94 -1.26 -4.81 119.30 116.28 2jpf s MET 27 Ca -0.11 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 52.92 2jpf s MET 27 Cb -0.15 -0.32 0.03 0.00 2.01 0.00 0.00 34.83 36.39 2jpf s MET 27 CO 0.06 0.05 0.28 0.00 -0.01 0.00 0.00 175.02 175.39 2jpf n ALA 28 N 1.11 -0.91 -3.56 3.03 0.00 -1.26 -4.91 120.51 114.01 2jpf n ALA 28 Ca -0.20 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 2jpf n ALA 28 Cb 0.56 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 2jpf n ALA 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jpf s LEU 29 N -6.14 -0.37 -0.33 0.00 1.43 -1.26 -5.13 118.68 106.88 2jpf s LEU 29 Ca 0.19 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2jpf s LEU 29 Cb -0.10 1.90 0.09 0.00 0.03 0.00 0.00 46.19 48.11 2jpf s LEU 29 CO 0.24 -0.40 0.04 -1.10 0.23 0.00 0.00 176.35 175.37 2jpf s GLN 30 N -1.52 1.75 0.31 1.70 -0.21 -1.26 -4.94 119.66 115.49 2jpf s GLN 30 Ca -0.00 -1.74 0.24 0.00 0.02 0.00 0.00 55.36 53.87 2jpf s GLN 30 Cb -0.01 -3.21 0.34 0.00 1.00 0.00 0.00 33.01 31.13 2jpf s GLN 30 CO -0.00 -0.88 1.47 0.78 -2.12 0.00 0.00 175.29 174.54 2jpf h GLY 31 N 7.73 0.00 0.90 3.09 0.00 -1.98 -2.45 103.07 110.37 2jpf h GLY 31 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2jpf h GLY 31 CO 0.54 0.00 -0.35 1.29 0.00 0.00 0.00 176.54 178.02 2jpf h ASP 32 N 0.00 -0.83 0.56 0.19 2.03 -1.95 -1.97 116.42 114.44 2jpf h ASP 32 Ca 0.00 0.01 -0.29 0.00 -0.73 0.00 0.00 57.03 56.02 2jpf h ASP 32 Cb 0.93 0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2jpf h ASP 32 CO 0.00 -0.53 -1.36 -0.37 -1.03 0.00 0.00 179.24 175.95 2jpf h VAL 33 N -1.09 1.36 -0.53 4.15 -1.51 -1.98 -1.49 116.25 115.16 2jpf h VAL 33 Ca -0.10 -2.95 0.08 0.00 -1.23 0.00 0.00 66.70 62.49 2jpf h VAL 33 Cb 0.78 2.88 -0.06 0.00 -2.13 0.00 0.00 31.29 32.75 2jpf h VAL 33 CO 0.17 0.86 0.17 0.50 -1.23 0.00 0.00 177.57 178.04 2jpf h LYS 34 N 0.07 0.33 0.00 5.19 3.64 -1.51 -2.08 116.57 122.21 2jpf h LYS 34 Ca -0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2jpf h LYS 34 Cb 1.99 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 2jpf h LYS 34 CO 0.19 0.22 -0.94 1.33 -2.27 0.00 0.00 179.45 177.98 2jpf n VAL 35 N -5.03 0.54 -0.39 2.00 0.24 -0.74 -4.11 118.33 110.84 2jpf n VAL 35 Ca 0.06 -0.48 0.38 0.00 -2.04 0.00 0.00 64.34 62.27 2jpf n VAL 35 Cb 0.23 -0.26 0.67 0.00 -1.47 0.00 0.00 33.84 33.01 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 7.01 -0.52 0.30 115.95 129.08 2jpf h TRP 36 Ca 0.00 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 2jpf h TRP 36 Cb 0.94 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 2jpf h TRP 36 CO 0.00 0.00 -0.51 0.00 -2.79 0.00 0.00 178.44 175.14 2jpf h MET 37 N 0.00 0.00 -0.39 2.65 -0.00 -1.71 -3.30 114.93 112.18 2jpf h MET 37 Ca 0.65 0.00 0.11 0.00 -0.00 0.00 0.00 59.70 60.46 2jpf h MET 37 Cb 2.97 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 34.55 2jpf h MET 37 CO -0.01 0.81 0.29 -0.56 -0.00 0.00 0.00 176.91 177.45 2jpf h GLN 38 N -1.00 0.00 -0.02 -0.10 3.07 -0.76 0.70 115.11 117.00 2jpf h GLN 38 Ca -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 2jpf h GLN 38 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.53 2jpf h GLN 38 CO -0.08 0.00 0.00 -0.91 0.09 0.00 0.00 178.83 177.94 2jpf h ASN 39 N 0.00 0.03 1.70 0.06 -0.26 -0.94 -3.08 115.58 113.09 2jpf h ASN 39 Ca 0.19 -0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2jpf h ASN 39 Cb 0.77 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 2jpf h ASN 39 CO -0.00 0.28 -0.29 -0.07 -1.06 0.00 0.00 177.43 176.28 2jpf h LEU 40 N -0.21 0.00 -0.99 1.61 3.38 -1.39 -3.33 115.31 114.38 2jpf h LEU 40 Ca 0.01 -0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.28 2jpf h LEU 40 Cb 0.26 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.86 2jpf h LEU 40 CO 0.00 0.00 0.52 -0.08 0.09 0.00 0.00 178.44 178.97 2jpf h GLU 41 N 0.00 0.30 0.00 1.13 4.81 0.48 0.60 114.58 121.91 2jpf h GLU 41 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jpf h GLU 41 Cb 0.99 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2jpf h GLU 41 CO 0.00 0.20 -0.14 0.22 -0.73 0.00 0.00 179.01 178.56 2jpf h ASP 42 N 0.31 0.00 -1.04 1.04 1.82 -1.68 -3.36 116.42 113.51 2jpf h ASP 42 Ca 0.71 0.00 0.33 0.00 -0.39 0.00 0.00 57.03 57.68 2jpf h ASP 42 Cb 1.59 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.46 2jpf h ASP 42 CO -0.61 0.54 0.62 -0.07 -1.61 0.00 0.00 179.24 178.10 2jpf h LEU 43 N -0.94 0.48 -1.44 2.28 3.38 -1.59 0.30 115.31 117.78 2jpf h LEU 43 Ca 0.00 0.17 0.45 0.00 0.09 0.00 0.00 57.88 58.59 2jpf h LEU 43 Cb 0.14 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.89 2jpf h LEU 43 CO 0.00 -0.11 0.89 -0.74 0.09 0.00 0.00 178.44 178.57 2jpf h HIS 44 N 0.31 0.48 0.06 1.13 2.76 0.06 1.50 115.15 121.45 2jpf h HIS 44 Ca 0.73 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 58.66 2jpf h HIS 44 Cb 1.76 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.58 2jpf h HIS 44 CO -0.01 -0.20 -1.30 0.00 -1.30 0.00 0.00 177.93 175.12 2jpf h THR 45 N 0.07 1.39 0.00 6.26 1.03 -0.60 -3.40 112.91 117.66 2jpf h THR 45 Ca 0.83 -3.07 -0.00 0.00 -0.01 0.00 0.00 66.41 64.16 2jpf h THR 45 Cb 2.67 2.79 0.00 0.00 -1.07 0.00 0.00 68.15 72.54 2jpf h THR 45 CO -0.40 0.85 -0.00 0.03 -0.01 0.00 0.00 175.52 175.99 2jpf h ARG 46 N 0.04 -0.00 -2.40 0.00 3.08 0.18 -3.49 114.38 111.79 2jpf h ARG 46 Ca -0.14 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 2jpf h ARG 46 Cb 1.92 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.72 2jpf h ARG 46 CO 0.15 -0.00 -0.19 0.50 -1.07 0.00 0.00 179.97 179.36 2jpf s ARG 47 N -1.06 0.50 -0.02 0.04 3.52 0.16 -5.07 118.95 117.02 2jpf s ARG 47 Ca -0.00 0.96 -0.25 0.00 -0.13 0.00 0.00 55.73 56.32 2jpf s ARG 47 Cb 0.00 0.06 -0.18 0.00 -1.56 0.00 0.00 34.95 33.26 2jpf s ARG 47 CO 0.00 -0.16 1.17 -1.00 -0.81 0.00 0.00 175.30 174.50 2jpf h PRO 48 N 7.13 -0.14 -1.42 5.12 0.13 -1.81 -2.47 132.00 138.55 2jpf h PRO 48 Ca -0.33 0.01 0.41 0.00 -0.87 0.00 0.00 66.00 65.22 2jpf h PRO 48 Cb 1.20 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 2jpf h PRO 48 CO 0.24 0.30 1.05 0.22 -0.23 0.00 0.00 178.00 179.58 2jpf h ASP 49 N -0.63 0.00 0.78 1.44 3.58 -1.97 1.58 116.42 121.20 2jpf h ASP 49 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 2jpf h ASP 49 Cb 0.50 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2jpf h ASP 49 CO 0.02 0.00 -1.29 1.21 -2.88 0.00 0.00 179.24 176.30 2jpf n GLU 50 N -4.03 0.62 -0.34 0.28 4.07 -1.18 -4.10 120.64 115.96 2jpf n GLU 50 Ca 0.31 0.19 0.22 0.00 -0.06 0.00 0.00 57.16 57.81 2jpf n GLU 50 Cb 1.50 -1.81 0.46 0.00 -0.06 0.00 0.00 31.44 31.53 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 0.82 0.00 4.31 -5.15 0.28 0.78 116.94 117.99 2jpf h PHE 51 Ca -0.11 0.03 -0.06 0.00 -0.20 0.00 0.00 57.97 57.63 2jpf h PHE 51 Cb 1.40 -0.23 -0.01 0.00 0.22 0.00 0.00 35.95 37.32 2jpf h PHE 51 CO 0.00 0.02 -0.33 1.79 -2.00 0.00 0.00 178.31 177.79 2jpf h THR 52 N 0.45 0.43 0.00 0.88 1.35 -1.70 -3.21 112.91 111.10 2jpf h THR 52 Ca 0.64 -1.61 -0.03 0.00 -0.55 0.00 0.00 66.41 64.85 2jpf h THR 52 Cb 1.47 2.18 -0.00 0.00 -1.73 0.00 0.00 68.15 70.07 2jpf h THR 52 CO -0.41 0.24 -0.16 0.00 -0.25 0.00 0.00 175.52 174.94 2jpf h ALA 53 N 1.74 1.12 0.16 6.62 0.00 0.42 0.62 119.26 129.94 2jpf h ALA 53 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2jpf h ALA 53 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jpf h ALA 53 CO 0.03 0.20 -0.08 -0.09 0.00 0.00 0.00 179.25 179.32 2jpf h ARG 54 N 0.00 -0.21 0.00 0.00 9.65 -1.45 -3.28 114.38 119.09 2jpf h ARG 54 Ca -0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2jpf h ARG 54 Cb 0.54 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2jpf h ARG 54 CO 0.02 -0.14 0.00 1.37 2.80 0.00 0.00 179.97 184.02 2jpf h LEU 55 N -0.36 0.00 -1.73 3.80 -0.00 -1.71 -3.08 115.31 112.23 2jpf h LEU 55 Ca -0.02 0.00 0.24 0.00 -0.00 0.00 0.00 57.88 58.09 2jpf h LEU 55 Cb 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 2jpf h LEU 55 CO 0.04 0.00 0.79 -0.61 -0.00 0.00 0.00 178.44 178.65 2jpf h GLN 56 N 0.00 0.00 0.01 0.17 5.75 -0.92 0.78 115.11 120.90 2jpf h GLN 56 Ca 0.00 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.27 2jpf h GLN 56 Cb 0.43 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2jpf h GLN 56 CO 0.00 0.00 -0.98 1.96 -2.65 0.00 0.00 178.83 177.16 2jpf h GLN 57 N 0.00 0.43 0.58 1.69 1.08 -1.70 -2.69 115.11 114.50 2jpf h GLN 57 Ca 0.39 -0.48 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2jpf h GLN 57 Cb 1.95 0.14 0.01 0.00 -0.05 0.00 0.00 27.48 29.53 2jpf h GLN 57 CO -0.00 1.14 -0.28 0.77 -0.95 0.00 0.00 178.83 179.50 2jpf h SER 58 N 0.23 -0.66 -0.03 1.46 0.02 0.36 -3.01 113.55 111.92 2jpf h SER 58 Ca -0.09 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2jpf h SER 58 Cb 1.63 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.34 2jpf h SER 58 CO 0.17 -0.37 0.08 0.74 -1.14 0.00 0.00 176.83 176.31 2jpf h THR 59 N -0.99 0.19 -0.13 -2.27 2.02 -1.61 -2.89 112.91 107.23 2jpf h THR 59 Ca -0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.13 2jpf h THR 59 Cb 0.60 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2jpf h THR 59 CO 0.13 0.00 -0.52 -0.78 0.37 0.00 0.00 175.52 174.72 2jpf h ASP 60 N 0.00 -1.65 -0.37 4.18 1.82 -1.33 0.26 116.42 119.33 2jpf h ASP 60 Ca 0.01 0.20 0.08 0.00 -0.39 0.00 0.00 57.03 56.93 2jpf h ASP 60 Cb 0.18 0.65 -0.08 0.00 0.68 0.00 0.00 39.33 40.75 2jpf h ASP 60 CO -0.00 -0.48 -0.23 0.00 -1.61 0.00 0.00 179.24 176.92 2jpf h ALA 61 N -0.22 -0.01 -0.68 -0.78 0.00 -1.60 -0.99 119.26 114.98 2jpf h ALA 61 Ca 0.04 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2jpf h ALA 61 Cb 0.68 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2jpf h ALA 61 CO -0.43 -0.62 0.36 1.25 0.00 0.00 0.00 179.25 179.82 2jpf h LEU 62 N -0.18 0.52 -0.51 0.00 5.85 -1.52 -0.42 115.31 119.06 2jpf h LEU 62 Ca 0.18 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.04 2jpf h LEU 62 Cb 0.46 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 2jpf h LEU 62 CO -0.47 0.33 -0.03 0.22 -0.34 0.00 0.00 178.44 178.14 2jpf h TYR 63 N 0.66 -0.09 -0.14 1.25 5.03 0.84 0.12 116.97 124.63 2jpf h TYR 63 Ca 0.31 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.53 2jpf h TYR 63 Cb 0.24 0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 2jpf h TYR 63 CO -0.09 -0.15 -0.47 1.03 -1.32 0.00 0.00 178.16 177.17 2jpf h SER 64 N 0.08 0.38 -0.26 -2.11 0.87 -0.86 -0.18 113.55 111.48 2jpf h SER 64 Ca 0.25 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2jpf h SER 64 Cb 0.39 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2jpf h SER 64 CO -0.45 0.80 0.12 -0.74 -0.53 0.00 0.00 176.83 176.02 2jpf h HIS 65 N 0.29 0.38 -0.05 2.24 -0.00 0.59 0.55 115.15 119.15 2jpf h HIS 65 Ca 0.02 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.25 2jpf h HIS 65 Cb 0.94 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 28.24 2jpf h HIS 65 CO 0.02 0.38 -0.41 1.25 -0.00 0.00 0.00 177.93 179.17 2jpf h LEU 66 N 0.28 0.45 -1.12 0.26 6.46 -0.81 0.39 115.31 121.22 2jpf h LEU 66 Ca 0.09 -0.69 -0.06 0.00 -0.12 0.00 0.00 57.88 57.10 2jpf h LEU 66 Cb 0.15 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 2jpf h LEU 66 CO -0.01 1.07 -0.01 -0.08 -0.62 0.00 0.00 178.44 178.79 2jpf h GLU 67 N -0.14 0.60 0.00 1.25 4.22 -1.01 0.14 114.58 119.65 2jpf h GLU 67 Ca -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 59.36 59.25 2jpf h GLU 67 Cb 1.09 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2jpf h GLU 67 CO 0.08 0.63 -0.22 0.00 -2.18 0.00 0.00 179.01 177.33 2jpf h ALA 68 N 1.42 0.01 0.35 2.92 0.00 0.09 -2.83 119.26 121.22 2jpf h ALA 68 Ca 0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jpf h ALA 68 Cb 0.38 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jpf h ALA 68 CO 0.01 0.20 -0.31 0.37 0.00 0.00 0.00 179.25 179.53 2jpf h GLN 69 N -1.00 -0.65 -0.45 0.00 5.75 -0.29 -2.30 115.11 116.17 2jpf h GLN 69 Ca -0.01 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2jpf h GLN 69 Cb 0.28 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2jpf h GLN 69 CO -0.01 -0.43 0.29 2.35 -2.65 0.00 0.00 178.83 178.38 2jpf h TRP 70 N -0.67 0.57 -0.69 3.99 2.91 -0.81 -2.41 115.95 118.83 2jpf h TRP 70 Ca -0.02 0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.13 2jpf h TRP 70 Cb 0.60 -0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 28.97 2jpf h TRP 70 CO -0.17 0.36 0.26 0.00 -1.03 0.00 0.00 178.44 177.86 2jpf h ALA 71 N 1.71 0.92 -1.08 2.65 0.00 -1.16 0.43 119.26 122.74 2jpf h ALA 71 Ca 0.16 0.10 0.29 0.00 0.00 0.00 0.00 54.91 55.47 2jpf h ALA 71 Cb -0.06 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 2jpf h ALA 71 CO -0.03 -0.21 0.73 0.87 0.00 0.00 0.00 179.25 180.61 2jpf h LYS 72 N 0.42 0.22 0.34 0.00 6.56 -1.19 -1.52 116.57 121.40 2jpf h LYS 72 Ca 0.36 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.93 2jpf h LYS 72 Cb 0.51 -0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 2jpf h LYS 72 CO -0.37 0.14 -0.38 1.96 -2.06 0.00 0.00 179.45 178.75 2jpf h GLN 73 N 0.23 -0.70 0.00 3.15 1.08 -1.03 -3.44 115.11 114.39 2jpf h GLN 73 Ca 0.57 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.82 2jpf h GLN 73 Cb 1.78 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.37 2jpf h GLN 73 CO -0.18 -0.47 -0.09 0.72 -0.95 0.00 0.00 178.83 177.87 2jpf n HIS 74 N -4.69 -1.00 -0.09 2.96 8.25 -0.69 -5.06 115.22 114.90 2jpf n HIS 74 Ca -0.09 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2jpf n HIS 74 Cb 0.34 0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.91 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 1.77 0.95 0.09 -1.41 0.00 -0.66 -5.00 105.19 100.93 2jpf n GLY 75 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.09 1.48 0.20 2.61 5.66 -1.26 -4.57 114.28 116.31 2jpf n THR 76 Ca 0.00 0.14 0.05 0.00 -3.05 0.00 0.00 64.05 61.19 2jpf n THR 76 Cb 0.00 -2.34 0.39 0.00 -1.55 0.00 0.00 70.33 66.83 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 -6.31 1.09 0.13 -1.98 -3.42 132.00 120.51 2jpf h PRO 77 Ca -0.03 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.54 2jpf h PRO 77 Cb 0.93 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 2jpf h PRO 77 CO -0.02 0.35 1.23 -1.25 -0.23 0.00 0.00 178.00 178.09 2jpf s PRO 78 N -3.87 3.33 -0.08 1.56 0.04 -1.26 -4.54 135.00 130.18 2jpf s PRO 78 Ca -0.01 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 2jpf s PRO 78 Cb 0.12 -4.17 0.06 0.00 0.04 0.00 0.00 34.50 30.55 2jpf s PRO 78 CO 0.69 -1.86 0.57 0.99 0.04 0.00 0.00 177.00 177.43 2jpf s THR 79 N 6.72 0.01 0.57 1.26 2.01 -1.26 -4.94 115.64 120.02 2jpf s THR 79 Ca 0.74 -0.12 0.42 0.00 0.31 0.00 0.00 61.69 63.05 2jpf s THR 79 Cb -0.20 -0.87 0.62 0.00 0.01 0.00 0.00 72.50 72.06 2jpf s THR 79 CO 0.32 -0.06 1.52 0.00 -0.69 0.00 0.00 174.62 175.71 2jpf h ALA 80 N 3.68 3.52 0.04 7.40 0.00 -1.98 0.71 119.26 132.62 2jpf h ALA 80 Ca -0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2jpf h ALA 80 Cb 1.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2jpf h ALA 80 CO 0.34 -2.13 -0.40 1.03 0.00 0.00 0.00 179.25 178.09 2jpf h SER 81 N 0.00 0.14 0.57 0.00 0.87 -1.95 -3.33 113.55 109.86 2jpf h SER 81 Ca 0.76 -0.94 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 2jpf h SER 81 Cb 3.36 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 65.28 2jpf h SER 81 CO -0.01 1.18 -0.28 0.44 -0.53 0.00 0.00 176.83 177.64 2jpf h ASP 82 N -0.80 -0.65 -0.64 6.23 5.19 0.09 -2.13 116.42 123.70 2jpf h ASP 82 Ca -0.08 0.01 0.19 0.00 -0.62 0.00 0.00 57.03 56.52 2jpf h ASP 82 Cb 1.24 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.89 2jpf h ASP 82 CO 0.02 -0.45 0.92 0.58 -3.12 0.00 0.00 179.24 177.20 2jpf h VAL 83 N -0.79 0.09 -0.98 -1.35 2.07 -1.16 0.67 116.25 114.80 2jpf h VAL 83 Ca -0.08 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.59 2jpf h VAL 83 Cb 0.60 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 2jpf h VAL 83 CO 0.13 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.92 2jpf h VAL 84 N 0.00 0.83 0.00 2.57 2.07 -1.48 -3.26 116.25 116.98 2jpf h VAL 84 Ca 0.30 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2jpf h VAL 84 Cb 2.14 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2jpf h VAL 84 CO -0.00 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.35 2jpf n GLY 85 N -1.36 0.45 0.15 2.17 0.00 0.11 -4.67 105.19 102.04 2jpf n GLY 85 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 0.43 -7.39 1.61 -1.53 0.08 -3.45 114.93 104.67 2jpf h MET 86 Ca 0.00 -0.06 -0.41 0.00 -3.44 0.00 0.00 59.70 55.79 2jpf h MET 86 Cb 0.34 -0.08 0.19 0.00 -0.55 0.00 0.00 31.60 31.50 2jpf h MET 86 CO 0.00 0.38 0.13 -1.25 0.14 0.00 0.00 176.91 176.31 2jpf s PRO 87 N -5.80 -1.26 0.02 0.39 0.04 -1.26 -4.99 135.00 122.15 2jpf s PRO 87 Ca -0.13 -0.08 -0.05 0.00 0.04 0.00 0.00 61.00 60.78 2jpf s PRO 87 Cb 0.09 -1.59 -0.29 0.00 0.04 0.00 0.00 34.50 32.75 2jpf s PRO 87 CO 0.72 -3.73 0.94 -0.56 0.04 0.00 0.00 177.00 174.40 2jpf h GLN 88 N -2.60 0.29 -1.13 4.56 3.07 -1.95 -3.33 115.11 114.03 2jpf h GLN 88 Ca -0.45 -0.49 0.39 0.00 0.09 0.00 0.00 58.65 58.19 2jpf h GLN 88 Cb 1.29 0.18 -0.15 0.00 0.08 0.00 0.00 27.48 28.89 2jpf h GLN 88 CO 0.34 1.18 0.67 0.11 0.09 0.00 0.00 178.83 181.22 2jpf h TRP 89 N 0.08 0.74 -0.56 0.06 5.08 -1.95 0.82 115.95 120.22 2jpf h TRP 89 Ca -0.22 0.03 0.02 0.00 1.08 0.00 0.00 58.89 59.80 2jpf h TRP 89 Cb 2.02 -0.18 -0.03 0.00 -3.00 0.00 0.00 29.16 27.96 2jpf h TRP 89 CO 0.07 -0.26 0.35 0.37 -1.28 0.00 0.00 178.44 177.69 2jpf h GLN 90 N 0.15 0.68 0.03 0.12 5.75 -1.83 0.19 115.11 120.19 2jpf h GLN 90 Ca 0.79 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 59.16 2jpf h GLN 90 Cb 2.17 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 30.57 2jpf h GLN 90 CO -0.57 0.45 -0.39 1.49 -2.65 0.00 0.00 178.83 177.16 2jpf h GLU 91 N 0.70 0.22 0.69 1.69 4.57 0.29 -3.29 114.58 119.45 2jpf h GLU 91 Ca 0.22 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2jpf h GLU 91 Cb -0.01 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2jpf h GLU 91 CO -0.08 1.03 -0.50 1.88 -1.18 0.00 0.00 179.01 180.16 2jpf h TYR 92 N -0.46 -1.34 -1.62 0.92 0.05 -0.54 0.23 116.97 114.20 2jpf h TYR 92 Ca -0.06 -0.00 0.49 0.00 0.05 0.00 0.00 58.73 59.21 2jpf h TYR 92 Cb 1.18 0.50 -0.09 0.00 1.01 0.00 0.00 36.73 39.33 2jpf h TYR 92 CO 0.19 -0.71 1.13 0.00 -1.05 0.00 0.00 178.16 177.72 2jpf h THR 93 N -1.13 0.12 0.10 -2.88 1.03 -0.78 0.44 112.91 109.80 2jpf h THR 93 Ca -0.09 -0.01 -0.24 0.00 -0.01 0.00 0.00 66.41 66.06 2jpf h THR 93 Cb 0.93 0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.09 2jpf h THR 93 CO 0.05 0.01 -1.21 0.00 -0.01 0.00 0.00 175.52 174.35 2jpf h ALA 94 N 1.28 0.13 -0.85 0.00 0.00 -1.42 -3.30 119.26 115.10 2jpf h ALA 94 Ca 0.84 -1.00 0.18 0.00 0.00 0.00 0.00 54.91 54.93 2jpf h ALA 94 Cb 3.11 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 21.15 2jpf h ALA 94 CO -0.15 0.69 -0.13 1.98 0.00 0.00 0.00 179.25 181.65 2jpf h MET 95 N -0.42 0.02 -0.44 0.00 -1.53 0.32 0.28 114.93 113.16 2jpf h MET 95 Ca -0.26 -0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 55.98 2jpf h MET 95 Cb 1.65 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 32.68 2jpf h MET 95 CO 0.05 0.02 0.23 1.37 0.14 0.00 0.00 176.91 178.71 2jpf h LEU 96 N 0.03 0.57 -0.02 3.39 -0.00 -1.60 1.31 115.31 118.99 2jpf h LEU 96 Ca 0.44 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 58.23 2jpf h LEU 96 Cb 0.73 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 41.19 2jpf h LEU 96 CO -0.83 0.51 -0.51 0.03 -0.00 0.00 0.00 178.44 177.64 2jpf h ARG 97 N 0.58 -0.62 0.07 0.17 3.08 -0.56 2.08 114.38 119.18 2jpf h ARG 97 Ca 0.15 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 2jpf h ARG 97 Cb 0.08 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2jpf h ARG 97 CO -0.02 -0.41 -0.03 1.49 -1.07 0.00 0.00 179.97 179.92 2jpf h GLU 98 N -0.64 -0.09 0.77 0.04 4.57 -1.29 -3.38 114.58 114.56 2jpf h GLU 98 Ca 0.02 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 2jpf h GLU 98 Cb 0.71 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.33 2jpf h GLU 98 CO -0.36 0.35 -0.37 -0.09 -1.18 0.00 0.00 179.01 177.36 2jpf h ARG 99 N -0.96 -1.00 -5.92 1.92 9.65 0.17 -3.47 114.38 114.77 2jpf h ARG 99 Ca -0.01 0.07 -0.39 0.00 -1.10 0.00 0.00 59.98 58.55 2jpf h ARG 99 Cb 0.49 0.23 0.10 0.00 -1.39 0.00 0.00 29.97 29.40 2jpf h ARG 99 CO 0.02 -0.65 -0.77 0.34 2.80 0.00 0.00 179.97 181.71 2jpf n PHE 100 N -5.49 -2.25 -3.89 2.20 7.35 0.70 -4.97 117.46 111.10 2jpf n PHE 100 Ca -0.14 0.92 -0.30 0.00 -0.76 0.00 0.00 57.45 57.17 2jpf n PHE 100 Cb 0.42 -4.71 -0.16 0.00 0.35 0.00 0.00 39.48 35.39 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jpf s ALA 101 N -3.44 1.79 0.00 3.13 0.00 -1.26 -4.78 121.76 117.19 2jpf s ALA 101 Ca 0.21 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2jpf s ALA 101 Cb -0.10 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2jpf s ALA 101 CO 0.77 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2jpf n GLY 102 N 4.74 3.27 3.47 0.00 0.00 -1.26 -5.01 105.19 110.39 2jpf n GLY 102 Ca -0.10 -1.08 -0.48 0.00 0.00 0.00 0.00 46.02 44.36 2jpf n GLY 102 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2jpf n LEU 103 N 0.00 2.22 -3.60 0.99 -0.00 -1.26 -4.90 117.00 110.45 2jpf n LEU 103 Ca 0.00 0.31 -0.12 0.00 -0.00 0.00 0.00 56.01 56.20 2jpf n LEU 103 Cb 0.00 -1.31 -0.05 0.00 -0.00 0.00 0.00 43.42 42.06 2jpf n LEU 103 CO 0.00 -0.78 0.22 -1.81 -0.00 0.00 0.00 177.39 175.02 2jpf s ASP 104 N 7.86 -0.35 -0.62 1.45 1.01 -1.26 -5.12 116.67 119.64 2jpf s ASP 104 Ca 1.09 -0.03 -0.23 0.00 0.71 0.00 0.00 52.55 54.08 2jpf s ASP 104 Cb -0.76 0.48 0.06 0.00 1.01 0.00 0.00 42.92 43.71 2jpf s ASP 104 CO 0.46 -0.77 0.95 0.28 0.21 0.00 0.00 175.17 176.30 2jpf s THR 105 N -2.97 4.34 0.00 -1.27 -1.32 -1.26 -5.05 115.64 108.12 2jpf s THR 105 Ca -0.02 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.32 2jpf s THR 105 Cb 0.00 -4.63 0.00 0.00 -1.51 0.00 0.00 72.50 66.36 2jpf s THR 105 CO -0.06 -1.34 0.00 2.30 -2.21 0.00 0.00 174.62 173.31