#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 0.64 -0.06 1.97 10.64 -1.26 -4.66 117.38 124.65 2jpf n GLN 2 Ca 0.00 0.37 -0.04 0.00 -1.83 0.00 0.00 57.00 55.50 2jpf n GLN 2 Cb 0.00 -1.66 -0.01 0.00 -0.86 0.00 0.00 30.24 27.70 2jpf n GLN 2 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2jpf n GLN 3 N -3.98 0.38 -4.01 2.61 -0.06 -1.26 -4.90 117.38 106.16 2jpf n GLN 3 Ca -0.38 0.43 -0.34 0.00 -2.00 0.00 0.00 57.00 54.71 2jpf n GLN 3 Cb 0.87 -1.48 -0.15 0.00 -4.06 0.00 0.00 30.24 25.42 2jpf n GLN 3 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2jpf s LEU 4 N -7.50 2.82 1.14 1.69 1.43 -1.26 -5.11 118.68 111.88 2jpf s LEU 4 Ca -0.14 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.09 2jpf s LEU 4 Cb 0.02 -1.61 0.25 0.00 0.03 0.00 0.00 46.19 44.87 2jpf s LEU 4 CO 0.20 -0.07 0.90 0.00 0.23 0.00 0.00 176.35 177.61 2jpf n GLN 5 N 4.66 -2.12 -4.28 1.70 10.64 -1.26 -4.56 117.38 122.16 2jpf n GLN 5 Ca -0.18 -0.58 -0.23 0.00 -1.83 0.00 0.00 57.00 54.18 2jpf n GLN 5 Cb 0.48 -2.13 -0.12 0.00 -0.86 0.00 0.00 30.24 27.61 2jpf n GLN 5 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2jpf s GLU 6 N -4.29 1.10 -0.08 2.61 2.12 -1.26 -5.03 118.70 113.86 2jpf s GLU 6 Ca 0.67 -1.17 -0.03 0.00 0.36 0.00 0.00 54.97 54.80 2jpf s GLU 6 Cb -0.24 -1.30 0.04 0.00 0.26 0.00 0.00 34.13 32.89 2jpf s GLU 6 CO 0.65 0.30 0.06 -1.58 -0.54 0.00 0.00 175.26 174.14 2jpf s HIS 7 N -1.30 0.22 0.41 5.30 2.46 -1.26 -5.14 115.29 115.98 2jpf s HIS 7 Ca 0.06 0.02 -0.25 0.00 0.47 0.00 0.00 55.06 55.37 2jpf s HIS 7 Cb -0.09 -0.60 -0.08 0.00 -0.13 0.00 0.00 32.58 31.68 2jpf s HIS 7 CO 0.04 -0.30 1.18 0.00 -2.47 0.00 0.00 174.74 173.19 2jpf s ALA 8 N 2.12 3.14 0.62 1.58 0.00 -1.26 -5.01 121.76 122.95 2jpf s ALA 8 Ca 0.04 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 2jpf s ALA 8 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2jpf s ALA 8 CO -0.05 -0.58 1.12 -1.25 0.00 0.00 0.00 175.76 175.00 2jpf s PRO 9 N -2.35 3.00 -0.05 0.00 0.04 -1.26 -5.05 135.00 129.33 2jpf s PRO 9 Ca 0.58 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2jpf s PRO 9 Cb -0.31 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2jpf s PRO 9 CO 0.39 -1.11 0.01 -1.12 0.04 0.00 0.00 177.00 175.22 2jpf s SER 10 N -2.30 5.27 -0.17 6.66 0.01 -1.26 -5.11 113.70 116.81 2jpf s SER 10 Ca 0.69 0.10 0.01 0.00 1.31 0.00 0.00 55.95 58.06 2jpf s SER 10 Cb -0.22 -1.46 0.01 0.00 0.21 0.00 0.00 66.02 64.56 2jpf s SER 10 CO 0.36 0.34 -0.18 -1.38 0.41 0.00 0.00 173.24 172.79 2jpf s HIS 11 N -0.98 2.77 0.55 2.43 -3.43 -1.26 -5.12 115.29 110.24 2jpf s HIS 11 Ca 0.16 -1.38 0.09 0.00 -0.80 0.00 0.00 55.06 53.13 2jpf s HIS 11 Cb -0.11 -1.90 0.07 0.00 -1.43 0.00 0.00 32.58 29.20 2jpf s HIS 11 CO 0.06 -0.67 0.73 0.00 -2.00 0.00 0.00 174.74 172.86 2jpf s ALA 12 N 1.10 4.66 0.28 -1.38 0.00 -1.26 -5.07 121.76 120.09 2jpf s ALA 12 Ca -0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 51.96 49.65 2jpf s ALA 12 Cb -0.14 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.46 2jpf s ALA 12 CO -0.07 -0.74 1.21 1.21 0.00 0.00 0.00 175.76 177.37 2jpf s ASN 13 N -4.58 7.03 -1.25 0.00 3.84 -1.26 -3.31 114.94 115.40 2jpf s ASN 13 Ca 0.59 2.44 -0.04 0.00 0.21 0.00 0.00 52.86 56.05 2jpf s ASN 13 Cb -0.06 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 2jpf s ASN 13 CO 0.37 -0.35 1.07 0.18 -2.79 0.00 0.00 177.10 175.58 2jpf n LEU 14 N 1.30 -3.68 -0.03 3.21 4.32 -1.26 -4.91 117.00 115.94 2jpf n LEU 14 Ca 0.00 -0.57 -0.04 0.00 -0.02 0.00 0.00 56.01 55.38 2jpf n LEU 14 Cb 0.43 -3.02 -0.04 0.00 -1.62 0.00 0.00 43.42 39.18 2jpf n LEU 14 CO 0.56 0.51 -0.73 0.47 -1.22 0.00 0.00 177.39 176.99 2jpf n ASP 15 N -2.99 3.47 -3.85 -1.43 9.92 -1.21 -4.05 116.55 116.41 2jpf n ASP 15 Ca -0.13 -0.03 -0.12 0.00 -0.53 0.00 0.00 54.79 53.98 2jpf n ASP 15 Cb 0.61 0.11 -0.12 0.00 -0.64 0.00 0.00 41.12 41.08 2jpf n ASP 15 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2jpf s VAL 16 N -2.15 0.02 0.23 2.53 -7.23 -1.26 -4.21 120.40 108.33 2jpf s VAL 16 Ca -0.08 -0.17 -0.21 0.00 -1.81 0.00 0.00 61.98 59.71 2jpf s VAL 16 Cb 0.02 -0.22 0.07 0.00 0.56 0.00 0.00 36.38 36.81 2jpf s VAL 16 CO 0.19 -0.09 0.98 -1.59 -0.31 0.00 0.00 175.10 174.27 2jpf s LYS 17 N -0.27 1.51 1.12 4.82 -2.85 -1.26 -5.08 119.74 117.73 2jpf s LYS 17 Ca -0.03 -0.96 -0.16 0.00 -1.00 0.00 0.00 55.97 53.81 2jpf s LYS 17 Cb -0.03 0.43 0.22 0.00 -2.06 0.00 0.00 37.83 36.39 2jpf s LYS 17 CO 0.00 -0.71 0.45 0.91 0.10 0.00 0.00 175.35 176.11 2jpf n TRP 18 N -0.64 -2.61 -2.51 1.78 8.01 -1.26 -4.87 117.44 115.34 2jpf n TRP 18 Ca -0.04 -0.18 -0.40 0.00 -1.31 0.00 0.00 57.50 55.57 2jpf n TRP 18 Cb 0.60 -1.39 -0.04 0.00 -2.01 0.00 0.00 31.31 28.46 2jpf n TRP 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2jpf s LEU 19 N -1.80 4.50 -0.81 -0.99 2.01 -1.26 -3.71 118.68 116.61 2jpf s LEU 19 Ca 0.44 2.21 -0.01 0.00 0.01 0.00 0.00 54.13 56.78 2jpf s LEU 19 Cb -0.08 -3.71 0.00 0.00 0.01 0.00 0.00 46.19 42.41 2jpf s LEU 19 CO 0.40 -0.17 0.68 0.47 1.01 0.00 0.00 176.35 178.74 2jpf n ASP 20 N 1.01 -2.66 0.00 2.29 9.92 -1.26 -4.84 116.55 121.01 2jpf n ASP 20 Ca -0.00 -0.40 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 2jpf n ASP 20 Cb 0.46 -3.53 0.00 0.00 -0.64 0.00 0.00 41.12 37.41 2jpf n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jpf n GLY 21 N -1.18 0.00 3.68 0.44 0.00 -1.24 -5.07 105.19 101.82 2jpf n GLY 21 Ca -0.15 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.28 4.32 -0.18 0.99 1.02 -1.26 -4.92 118.68 117.36 2jpf s LEU 22 Ca 0.00 2.17 -0.15 0.00 0.02 0.00 0.00 54.13 56.17 2jpf s LEU 22 Cb 0.00 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.59 2jpf s LEU 22 CO 0.00 -0.78 -0.26 0.54 0.02 0.00 0.00 176.35 175.87 2jpf n ARG 23 N 5.72 0.51 -0.02 1.70 5.12 -1.26 -4.87 116.66 123.56 2jpf n ARG 23 Ca 0.14 0.34 -0.02 0.00 -1.93 0.00 0.00 57.85 56.38 2jpf n ARG 23 Cb 0.43 -1.54 -0.02 0.00 -1.16 0.00 0.00 32.46 30.17 2jpf n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jpf n ALA 24 N -4.10 1.92 -1.19 7.54 0.00 -1.26 -5.04 120.51 118.39 2jpf n ALA 24 Ca -0.16 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 2jpf n ALA 24 Cb 0.47 0.37 0.02 0.00 0.00 0.00 0.00 19.45 20.31 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 3.22 -3.45 3.91 0.00 0.00 -1.26 -2.12 105.19 105.49 2jpf n GLY 25 Ca -0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 2.50 -3.35 0.06 1.61 3.41 -1.26 -4.87 113.62 111.72 2jpf n SER 26 Ca 0.05 -0.84 -0.10 0.00 -0.26 0.00 0.00 58.87 57.73 2jpf n SER 26 Cb 0.50 -3.70 0.02 0.00 -0.26 0.00 0.00 64.21 60.77 2jpf n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jpf h MET 27 N -1.95 0.37 0.08 4.33 3.00 -1.83 -3.37 114.93 115.57 2jpf h MET 27 Ca -0.59 -0.32 -0.00 0.00 0.00 0.00 0.00 59.70 58.78 2jpf h MET 27 Cb 1.37 0.07 0.00 0.00 0.00 0.00 0.00 31.60 33.05 2jpf h MET 27 CO 0.66 0.97 -0.04 0.00 0.00 0.00 0.00 176.91 178.50 2jpf h ALA 28 N 0.93 -0.18 -1.15 -3.00 0.00 -1.89 -3.48 119.26 110.49 2jpf h ALA 28 Ca -0.04 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.40 2jpf h ALA 28 Cb 1.35 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.20 2jpf h ALA 28 CO 0.13 -0.17 -0.19 -0.51 0.00 0.00 0.00 179.25 178.51 2jpf s LEU 29 N -6.45 3.41 -0.58 0.00 1.43 -1.26 -5.05 118.68 110.18 2jpf s LEU 29 Ca -0.02 -0.61 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 2jpf s LEU 29 Cb 0.00 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 44.06 2jpf s LEU 29 CO 0.05 -1.01 1.07 -1.10 0.23 0.00 0.00 176.35 175.58 2jpf s GLN 30 N -4.49 3.38 0.35 1.70 -0.21 -1.26 -4.69 119.66 114.45 2jpf s GLN 30 Ca 0.58 -0.10 0.23 0.00 0.02 0.00 0.00 55.36 56.09 2jpf s GLN 30 Cb -0.08 -4.06 0.34 0.00 1.00 0.00 0.00 33.01 30.21 2jpf s GLN 30 CO 0.35 -1.64 1.52 0.78 -2.12 0.00 0.00 175.29 174.19 2jpf h GLY 31 N 11.53 0.00 0.72 3.09 0.00 -1.91 -2.07 103.07 114.43 2jpf h GLY 31 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2jpf h GLY 31 CO 1.15 0.00 -0.11 -0.55 0.00 0.00 0.00 176.54 177.02 2jpf h ASP 32 N 0.00 -0.27 0.54 0.19 3.32 -1.93 -3.12 116.42 115.16 2jpf h ASP 32 Ca 0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 57.03 56.58 2jpf h ASP 32 Cb 0.96 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2jpf h ASP 32 CO 0.00 0.05 -1.42 -0.37 -1.72 0.00 0.00 179.24 175.78 2jpf h VAL 33 N -0.61 1.28 -1.12 -1.35 -1.51 -2.00 -3.24 116.25 107.71 2jpf h VAL 33 Ca -0.03 -2.91 0.31 0.00 -1.23 0.00 0.00 66.70 62.84 2jpf h VAL 33 Cb 0.44 2.80 -0.06 0.00 -2.13 0.00 0.00 31.29 32.34 2jpf h VAL 33 CO 0.05 0.84 0.78 0.50 -1.23 0.00 0.00 177.57 178.50 2jpf h LYS 34 N 0.06 0.12 0.00 5.19 3.64 -1.45 0.84 116.57 124.98 2jpf h LYS 34 Ca -0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2jpf h LYS 34 Cb 1.99 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 2jpf h LYS 34 CO 0.17 0.08 -1.07 1.33 -2.27 0.00 0.00 179.45 177.69 2jpf n VAL 35 N -4.34 0.50 -0.14 2.00 0.24 -1.18 -3.99 118.33 111.42 2jpf n VAL 35 Ca 0.25 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 2jpf n VAL 35 Cb 1.11 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.45 -0.10 6.34 2.91 0.70 0.15 115.95 124.50 2jpf h TRP 36 Ca 0.00 0.08 -0.15 0.00 1.13 0.00 0.00 58.89 59.94 2jpf h TRP 36 Cb 0.95 0.69 -0.01 0.00 -0.51 0.00 0.00 29.16 30.29 2jpf h TRP 36 CO 0.00 -0.46 -0.61 0.00 -1.03 0.00 0.00 178.44 176.34 2jpf h MET 37 N -0.34 0.34 -0.04 2.65 -0.00 -1.75 -2.93 114.93 112.85 2jpf h MET 37 Ca 0.12 -0.23 0.01 0.00 -0.00 0.00 0.00 59.70 59.60 2jpf h MET 37 Cb 0.59 0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.22 2jpf h MET 37 CO -0.60 0.84 0.05 -0.56 -0.00 0.00 0.00 176.91 176.64 2jpf h GLN 38 N 0.25 0.00 0.11 -0.10 -0.00 -1.30 0.32 115.11 114.39 2jpf h GLN 38 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 2jpf h GLN 38 Cb 1.13 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.62 2jpf h GLN 38 CO 0.10 0.00 -0.89 -0.97 -0.00 0.00 0.00 178.83 177.08 2jpf h ASN 39 N 0.00 0.36 1.28 0.06 -0.73 -0.60 -3.32 115.58 112.63 2jpf h ASN 39 Ca 0.02 -0.91 -0.00 0.00 1.87 0.00 0.00 56.30 57.28 2jpf h ASN 39 Cb 0.11 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.58 2jpf h ASN 39 CO -0.00 1.40 -0.01 -0.07 -0.37 0.00 0.00 177.43 178.38 2jpf h LEU 40 N -0.47 0.00 -0.88 0.34 3.38 -1.33 -2.88 115.31 113.47 2jpf h LEU 40 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2jpf h LEU 40 Cb 1.57 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.28 2jpf h LEU 40 CO 0.09 0.01 0.50 -0.08 0.09 0.00 0.00 178.44 179.05 2jpf h GLU 41 N 0.00 1.21 0.08 1.13 4.81 -0.47 1.91 114.58 123.26 2jpf h GLU 41 Ca -0.00 -0.13 -0.28 0.00 -0.13 0.00 0.00 59.36 58.82 2jpf h GLU 41 Cb 0.65 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2jpf h GLU 41 CO 0.00 0.87 -1.41 0.22 -0.73 0.00 0.00 179.01 177.97 2jpf h ASP 42 N 1.22 0.28 0.00 1.04 3.58 -1.67 -3.26 116.42 117.61 2jpf h ASP 42 Ca 0.31 -0.37 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 2jpf h ASP 42 Cb -0.00 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2jpf h ASP 42 CO -0.05 1.30 -0.11 0.25 -2.88 0.00 0.00 179.24 177.75 2jpf h LEU 43 N 0.05 0.00 -0.87 2.28 7.12 -1.29 -3.35 115.31 119.25 2jpf h LEU 43 Ca -0.19 -0.00 0.10 0.00 0.13 0.00 0.00 57.88 57.92 2jpf h LEU 43 Cb 1.96 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.97 2jpf h LEU 43 CO 0.15 0.56 -0.51 -0.74 -0.13 0.00 0.00 178.44 177.77 2jpf h HIS 44 N -1.00 -1.57 -1.61 1.25 2.76 0.30 1.05 115.15 116.33 2jpf h HIS 44 Ca -0.00 0.11 0.49 0.00 -2.20 0.00 0.00 60.37 58.77 2jpf h HIS 44 Cb 0.12 0.80 -0.09 0.00 1.55 0.00 0.00 27.41 29.79 2jpf h HIS 44 CO -0.05 -0.40 1.12 0.00 -1.30 0.00 0.00 177.93 177.31 2jpf h THR 45 N -0.08 0.12 0.00 6.26 1.03 -1.63 -2.80 112.91 115.81 2jpf h THR 45 Ca 0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.59 2jpf h THR 45 Cb 0.50 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.66 2jpf h THR 45 CO -0.88 0.01 -0.35 0.54 -0.01 0.00 0.00 175.52 174.83 2jpf n ARG 46 N -4.25 0.20 -4.00 0.00 1.74 0.30 -4.97 116.66 105.68 2jpf n ARG 46 Ca 0.39 0.16 -0.30 0.00 -0.77 0.00 0.00 57.85 57.32 2jpf n ARG 46 Cb 1.68 -0.94 -0.16 0.00 -1.02 0.00 0.00 32.46 32.02 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jpf s ARG 47 N -1.69 2.16 0.10 5.56 6.06 0.23 -5.02 118.95 126.36 2jpf s ARG 47 Ca -0.10 -0.65 -0.15 0.00 -2.50 0.00 0.00 55.73 52.33 2jpf s ARG 47 Cb 0.01 -2.21 -0.08 0.00 0.06 0.00 0.00 34.95 32.73 2jpf s ARG 47 CO 0.15 -0.31 1.42 -1.00 -2.50 0.00 0.00 175.30 173.06 2jpf h PRO 48 N 8.03 0.71 0.00 5.12 0.13 -1.78 -1.73 132.00 142.48 2jpf h PRO 48 Ca -0.34 -0.37 -0.02 0.00 -0.87 0.00 0.00 66.00 64.40 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 0.50 0.99 -0.11 0.22 -0.23 0.00 0.00 178.00 179.37 2jpf h ASP 49 N 0.45 0.00 0.69 1.44 1.82 -1.95 -1.32 116.42 117.56 2jpf h ASP 49 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2jpf h ASP 49 Cb 0.85 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2jpf h ASP 49 CO 0.07 0.11 -0.82 -0.62 -1.61 0.00 0.00 179.24 176.37 2jpf n GLU 50 N -4.03 0.31 -0.42 0.28 -0.58 -1.15 -4.17 120.64 110.89 2jpf n GLU 50 Ca -0.02 0.05 0.34 0.00 -0.42 0.00 0.00 57.16 57.10 2jpf n GLU 50 Cb 0.19 -1.65 0.62 0.00 -0.57 0.00 0.00 31.44 30.03 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2jpf h PHE 51 N 0.00 0.52 0.00 -0.32 -0.00 -0.29 1.59 116.94 118.45 2jpf h PHE 51 Ca 0.00 0.02 -0.14 0.00 -0.00 0.00 0.00 57.97 57.85 2jpf h PHE 51 Cb 0.75 -0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 36.55 2jpf h PHE 51 CO 0.00 -0.13 -0.69 0.00 -0.00 0.00 0.00 178.31 177.49 2jpf h THR 52 N 0.16 1.05 0.00 0.88 1.03 -1.74 -3.23 112.91 111.06 2jpf h THR 52 Ca 0.76 -2.51 0.00 0.00 -0.01 0.00 0.00 66.41 64.65 2jpf h THR 52 Cb 2.32 2.51 0.00 0.00 -1.07 0.00 0.00 68.15 71.91 2jpf h THR 52 CO -0.36 0.60 0.16 0.00 -0.01 0.00 0.00 175.52 175.91 2jpf h ALA 53 N 1.37 1.14 0.04 0.00 0.00 0.21 1.35 119.26 123.37 2jpf h ALA 53 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jpf h ALA 53 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2jpf h ALA 53 CO 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.17 2jpf h ARG 54 N 0.00 -0.05 0.00 0.00 2.47 -1.56 -3.37 114.38 111.87 2jpf h ARG 54 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jpf h ARG 54 Cb 0.33 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2jpf h ARG 54 CO 0.00 -0.03 0.00 1.37 0.56 0.00 0.00 179.97 181.87 2jpf h LEU 55 N -0.21 0.00 -1.50 3.04 -0.00 -1.70 -3.24 115.31 111.70 2jpf h LEU 55 Ca -0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.88 58.07 2jpf h LEU 55 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 40.63 2jpf h LEU 55 CO 0.01 0.00 0.59 -0.61 -0.00 0.00 0.00 178.44 178.43 2jpf h GLN 56 N 0.00 0.41 -0.01 0.17 5.75 0.16 1.08 115.11 122.67 2jpf h GLN 56 Ca 0.00 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.34 2jpf h GLN 56 Cb 0.75 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.22 2jpf h GLN 56 CO 0.00 0.27 -0.52 1.96 -2.65 0.00 0.00 178.83 177.89 2jpf h GLN 57 N 0.42 0.37 0.19 1.69 1.08 -1.71 -3.16 115.11 113.99 2jpf h GLN 57 Ca 0.46 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2jpf h GLN 57 Cb 1.13 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2jpf h GLN 57 CO -0.18 1.06 -0.09 0.66 -0.95 0.00 0.00 178.83 179.33 2jpf h SER 58 N -0.16 -0.21 -0.33 1.46 4.64 -1.36 -3.23 113.55 114.37 2jpf h SER 58 Ca -0.06 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2jpf h SER 58 Cb 1.23 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2jpf h SER 58 CO 0.10 0.09 0.91 0.74 -0.87 0.00 0.00 176.83 177.81 2jpf h THR 59 N -0.73 0.03 -0.98 2.95 2.02 0.96 0.28 112.91 117.43 2jpf h THR 59 Ca -0.03 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.32 2jpf h THR 59 Cb 0.19 0.16 -0.10 0.00 -1.74 0.00 0.00 68.15 66.66 2jpf h THR 59 CO 0.04 0.00 0.59 -0.78 0.37 0.00 0.00 175.52 175.74 2jpf h ASP 60 N 0.00 0.78 -0.53 4.18 1.82 -1.56 0.23 116.42 121.33 2jpf h ASP 60 Ca 0.16 0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.80 2jpf h ASP 60 Cb 1.98 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.91 2jpf h ASP 60 CO -0.00 0.32 0.02 0.00 -1.61 0.00 0.00 179.24 177.97 2jpf h ALA 61 N 1.60 0.72 -0.36 -0.78 0.00 -0.64 0.10 119.26 119.90 2jpf h ALA 61 Ca 0.54 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2jpf h ALA 61 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jpf h ALA 61 CO -0.35 0.52 -0.33 1.25 0.00 0.00 0.00 179.25 180.34 2jpf h LEU 62 N 0.81 0.83 -0.17 0.00 5.85 -1.23 0.48 115.31 121.88 2jpf h LEU 62 Ca 0.15 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 2jpf h LEU 62 Cb 0.51 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2jpf h LEU 62 CO 0.02 1.09 -0.32 0.22 -0.34 0.00 0.00 178.44 179.12 2jpf h TYR 63 N 0.67 0.64 0.01 1.25 5.03 -0.50 -2.99 116.97 121.08 2jpf h TYR 63 Ca 0.07 -0.23 -0.00 0.00 2.58 0.00 0.00 58.73 61.15 2jpf h TYR 63 Cb 0.88 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.04 2jpf h TYR 63 CO 0.05 0.95 -0.00 1.03 -1.32 0.00 0.00 178.16 178.86 2jpf h SER 64 N 0.15 -0.01 -0.80 -2.11 0.87 -0.78 -2.84 113.55 108.03 2jpf h SER 64 Ca 0.01 -0.67 0.18 0.00 -1.23 0.00 0.00 61.79 60.08 2jpf h SER 64 Cb 0.91 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.73 2jpf h SER 64 CO 0.07 0.67 -0.05 -0.74 -0.53 0.00 0.00 176.83 176.25 2jpf h HIS 65 N -0.70 -0.16 0.08 2.24 -0.00 -0.14 1.35 115.15 117.81 2jpf h HIS 65 Ca -0.00 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2jpf h HIS 65 Cb 0.68 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2jpf h HIS 65 CO 0.16 -0.30 -0.04 1.25 -0.00 0.00 0.00 177.93 179.01 2jpf h LEU 66 N 0.06 -0.09 -1.62 0.26 5.85 -1.59 0.11 115.31 118.28 2jpf h LEU 66 Ca 0.43 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2jpf h LEU 66 Cb 0.75 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2jpf h LEU 66 CO -0.75 0.12 0.00 -0.08 -0.34 0.00 0.00 178.44 177.40 2jpf h GLU 67 N -0.31 0.00 0.00 1.25 4.81 -0.79 0.36 114.58 119.90 2jpf h GLU 67 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jpf h GLU 67 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2jpf h GLU 67 CO 0.02 0.00 -0.20 0.00 -0.73 0.00 0.00 179.01 178.09 2jpf h ALA 68 N 2.06 0.00 0.00 2.92 0.00 0.21 -3.32 119.26 121.14 2jpf h ALA 68 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2jpf h ALA 68 Cb 0.31 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jpf h ALA 68 CO 0.00 0.20 -0.33 0.37 0.00 0.00 0.00 179.25 179.49 2jpf h GLN 69 N -0.97 0.00 -1.09 0.00 4.15 -0.80 -3.36 115.11 113.04 2jpf h GLN 69 Ca 0.00 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.73 2jpf h GLN 69 Cb 0.20 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 2jpf h GLN 69 CO 0.00 0.19 0.78 2.35 -1.93 0.00 0.00 178.83 180.21 2jpf h TRP 70 N -1.00 0.06 -1.00 3.99 7.01 -0.44 0.20 115.95 124.77 2jpf h TRP 70 Ca -0.03 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.10 2jpf h TRP 70 Cb 0.42 -0.02 -0.09 0.00 -2.10 0.00 0.00 29.16 27.38 2jpf h TRP 70 CO -0.06 0.01 0.63 0.00 -2.79 0.00 0.00 178.44 176.23 2jpf h ALA 71 N 1.47 1.55 -1.27 2.65 0.00 -1.40 -0.48 119.26 121.78 2jpf h ALA 71 Ca 0.53 0.03 0.37 0.00 0.00 0.00 0.00 54.91 55.83 2jpf h ALA 71 Cb 2.03 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 2jpf h ALA 71 CO -0.03 0.18 0.88 0.87 0.00 0.00 0.00 179.25 181.15 2jpf h LYS 72 N 0.96 0.10 -0.54 0.00 1.79 -0.77 0.17 116.57 118.28 2jpf h LYS 72 Ca 0.51 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 59.05 2jpf h LYS 72 Cb 0.55 -0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 31.07 2jpf h LYS 72 CO -0.28 0.07 -0.44 1.96 -1.08 0.00 0.00 179.45 179.68 2jpf h GLN 73 N 0.11 -0.24 0.00 3.15 1.08 -1.24 -3.41 115.11 114.56 2jpf h GLN 73 Ca 0.66 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.87 2jpf h GLN 73 Cb 2.32 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.81 2jpf h GLN 73 CO -0.14 -0.16 -0.20 0.72 -0.95 0.00 0.00 178.83 178.10 2jpf n HIS 74 N -5.40 -0.30 0.00 2.96 8.25 -0.39 -5.04 115.22 115.30 2jpf n HIS 74 Ca 0.01 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2jpf n HIS 74 Cb 0.35 0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.85 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 1.87 3.33 0.08 -1.41 0.00 0.46 -4.87 105.19 104.66 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 0.81 0.00 2.61 1.35 -1.97 -3.38 112.91 112.34 2jpf h THR 76 Ca 0.00 -1.83 -0.07 0.00 -0.55 0.00 0.00 66.41 63.96 2jpf h THR 76 Cb 0.00 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 2jpf h THR 76 CO 0.00 0.27 -0.36 1.55 -0.25 0.00 0.00 175.52 176.74 2jpf h PRO 77 N -1.00 0.00 -6.27 4.72 0.13 -1.95 -3.42 132.00 124.20 2jpf h PRO 77 Ca -0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.41 2jpf h PRO 77 Cb 0.92 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 2jpf h PRO 77 CO -0.10 0.36 1.25 -1.25 -0.23 0.00 0.00 178.00 178.03 2jpf s PRO 78 N -3.87 3.26 0.07 1.56 0.04 -1.26 -4.59 135.00 130.22 2jpf s PRO 78 Ca -0.01 1.19 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 2jpf s PRO 78 Cb 0.12 -4.20 0.05 0.00 0.04 0.00 0.00 34.50 30.52 2jpf s PRO 78 CO 0.69 -1.95 0.52 0.99 0.04 0.00 0.00 177.00 177.29 2jpf s THR 79 N 6.97 0.03 0.36 1.26 2.01 -1.26 -4.90 115.64 120.10 2jpf s THR 79 Ca 0.74 -0.24 0.17 0.00 0.31 0.00 0.00 61.69 62.67 2jpf s THR 79 Cb -0.19 -1.00 0.35 0.00 0.01 0.00 0.00 72.50 71.66 2jpf s THR 79 CO 0.31 -0.13 1.64 0.00 -0.69 0.00 0.00 174.62 175.75 2jpf h ALA 80 N 2.61 2.07 -0.20 7.40 0.00 -1.96 1.17 119.26 130.36 2jpf h ALA 80 Ca -0.32 0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2jpf h ALA 80 Cb 1.23 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2jpf h ALA 80 CO 0.41 -0.73 -0.48 0.77 0.00 0.00 0.00 179.25 179.22 2jpf h SER 81 N 0.22 0.58 0.14 0.00 0.02 -1.95 -3.13 113.55 109.42 2jpf h SER 81 Ca 0.77 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 61.43 2jpf h SER 81 Cb 1.90 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.27 2jpf h SER 81 CO -0.64 0.97 -0.07 0.44 -1.14 0.00 0.00 176.83 176.39 2jpf h ASP 82 N 0.43 -0.15 -0.74 3.07 5.19 0.87 -3.27 116.42 121.80 2jpf h ASP 82 Ca 0.02 0.01 0.22 0.00 -0.62 0.00 0.00 57.03 56.65 2jpf h ASP 82 Cb 1.00 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 2jpf h ASP 82 CO 0.09 0.26 1.12 0.58 -3.12 0.00 0.00 179.24 178.17 2jpf h VAL 83 N -0.92 0.02 -0.03 -1.35 2.07 -0.24 0.69 116.25 116.48 2jpf h VAL 83 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2jpf h VAL 83 Cb 0.14 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.91 2jpf h VAL 83 CO 0.03 0.00 -0.27 0.58 0.02 0.00 0.00 177.57 177.93 2jpf h VAL 84 N 0.00 0.39 0.00 2.57 2.07 -1.59 -3.32 116.25 116.37 2jpf h VAL 84 Ca 0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 2jpf h VAL 84 Cb 2.58 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2jpf h VAL 84 CO -0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 2jpf n GLY 85 N -1.38 0.14 0.26 2.17 0.00 0.55 -4.51 105.19 102.41 2jpf n GLY 85 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.85 0.00 1.61 -1.53 0.12 -3.42 114.93 112.56 2jpf h MET 86 Ca 0.00 -0.44 0.00 0.00 -3.44 0.00 0.00 59.70 55.82 2jpf h MET 86 Cb 0.36 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 2jpf h MET 86 CO 0.00 1.08 0.00 -0.35 0.14 0.00 0.00 176.91 177.78 2jpf n PRO 87 N -4.05 0.19 -0.07 0.39 -0.04 -1.26 -4.97 135.00 125.21 2jpf n PRO 87 Ca -0.02 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.37 2jpf n PRO 87 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 2jpf n PRO 87 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2jpf h GLN 88 N 0.00 0.00 0.00 0.54 3.07 -1.94 -3.31 115.11 113.48 2jpf h GLN 88 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jpf h GLN 88 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2jpf h GLN 88 CO 0.00 0.40 0.81 0.11 0.09 0.00 0.00 178.83 180.24 2jpf h TRP 89 N -1.00 0.00 -0.90 0.06 0.09 -1.94 -2.15 115.95 110.11 2jpf h TRP 89 Ca -0.04 0.00 0.15 0.00 0.09 0.00 0.00 58.89 59.09 2jpf h TRP 89 Cb 0.52 0.00 -0.15 0.00 0.08 0.00 0.00 29.16 29.61 2jpf h TRP 89 CO 0.06 0.00 -0.33 0.94 0.09 0.00 0.00 178.44 179.20 2jpf n GLN 90 N -2.36 -0.19 -0.07 0.12 7.27 -1.25 0.25 117.38 121.16 2jpf n GLN 90 Ca -0.00 1.39 -0.11 0.00 0.07 0.00 0.00 57.00 58.35 2jpf n GLN 90 Cb 0.81 -2.06 -0.09 0.00 2.41 0.00 0.00 30.24 31.31 2jpf n GLN 90 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2jpf h GLU 91 N 0.00 0.00 -0.47 3.69 5.08 -1.68 -3.33 114.58 117.87 2jpf h GLU 91 Ca 0.34 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2jpf h GLU 91 Cb 0.56 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2jpf h GLU 91 CO -0.90 0.71 -0.40 1.88 -1.00 0.00 0.00 179.01 179.31 2jpf h TYR 92 N -1.00 -1.24 -1.17 4.33 -1.99 -1.48 0.77 116.97 115.18 2jpf h TYR 92 Ca -0.03 0.07 0.39 0.00 2.00 0.00 0.00 58.73 61.17 2jpf h TYR 92 Cb 0.75 0.60 -0.14 0.00 2.00 0.00 0.00 36.73 39.95 2jpf h TYR 92 CO 0.18 -0.30 0.72 0.00 -0.00 0.00 0.00 178.16 178.76 2jpf h THR 93 N -0.15 0.17 0.00 -2.88 1.03 -0.38 1.23 112.91 111.93 2jpf h THR 93 Ca 0.08 -0.05 -0.23 0.00 -0.01 0.00 0.00 66.41 66.20 2jpf h THR 93 Cb 0.35 0.01 -0.03 0.00 -1.07 0.00 0.00 68.15 67.41 2jpf h THR 93 CO -0.52 0.03 -1.14 0.00 -0.01 0.00 0.00 175.52 173.88 2jpf h ALA 94 N 1.73 0.43 0.00 0.00 0.00 -0.37 -3.25 119.26 117.79 2jpf h ALA 94 Ca 0.79 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2jpf h ALA 94 Cb 2.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 2jpf h ALA 94 CO -0.51 1.31 -0.05 1.98 0.00 0.00 0.00 179.25 181.98 2jpf h MET 95 N 0.00 0.00 0.25 0.00 -1.53 0.76 0.13 114.93 114.54 2jpf h MET 95 Ca -0.06 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.18 2jpf h MET 95 Cb 1.82 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.87 2jpf h MET 95 CO 0.12 0.05 -0.12 -0.07 0.14 0.00 0.00 176.91 177.03 2jpf h LEU 96 N 0.00 -0.28 0.04 3.39 3.38 -1.37 0.76 115.31 121.23 2jpf h LEU 96 Ca -0.00 -0.19 -0.28 0.00 0.09 0.00 0.00 57.88 57.50 2jpf h LEU 96 Cb 0.21 0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jpf h LEU 96 CO 0.01 0.05 -1.17 0.08 0.09 0.00 0.00 178.44 177.50 2jpf h ARG 97 N -0.64 0.52 0.12 1.13 0.11 -1.67 0.13 114.38 114.08 2jpf h ARG 97 Ca -0.03 -0.68 -0.01 0.00 0.10 0.00 0.00 59.98 59.36 2jpf h ARG 97 Cb 0.46 0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2jpf h ARG 97 CO 0.06 1.29 -0.06 1.49 0.10 0.00 0.00 179.97 182.84 2jpf h GLU 98 N 0.24 -0.16 -0.72 0.08 4.81 -0.81 -3.26 114.58 114.75 2jpf h GLU 98 Ca -0.15 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 2jpf h GLU 98 Cb 1.84 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 31.20 2jpf h GLU 98 CO 0.21 0.31 0.13 -2.13 -0.73 0.00 0.00 179.01 176.81 2jpf n ARG 99 N -4.90 3.84 -0.29 1.92 3.00 0.26 -4.55 116.66 115.95 2jpf n ARG 99 Ca -0.08 -2.68 0.11 0.00 -0.00 0.00 0.00 57.85 55.20 2jpf n ARG 99 Cb 0.28 -2.13 0.26 0.00 0.00 0.00 0.00 32.46 30.87 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 2.84 0.47 -1.07 -0.14 -0.00 -0.60 0.36 116.94 118.81 2jpf h PHE 100 Ca 0.13 0.04 0.31 0.00 -0.00 0.00 0.00 57.97 58.45 2jpf h PHE 100 Cb 1.97 -0.08 -0.04 0.00 -0.00 0.00 0.00 35.95 37.80 2jpf h PHE 100 CO 1.04 -0.09 0.99 0.00 -0.00 0.00 0.00 178.31 180.25 2jpf h ALA 101 N 1.69 2.94 0.00 12.09 0.00 -1.82 0.14 119.26 134.30 2jpf h ALA 101 Ca 0.51 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 2jpf h ALA 101 Cb 0.96 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jpf h ALA 101 CO -0.55 -1.54 -0.00 0.78 0.00 0.00 0.00 179.25 177.94 2jpf h GLY 102 N 0.00 -0.00 -0.81 0.00 0.00 -0.64 -3.28 103.07 98.34 2jpf h GLY 102 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2jpf h GLY 102 CO -0.01 -0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.00 2jpf n LEU 103 N -4.64 0.94 -0.32 3.11 -0.00 0.30 -4.34 117.00 112.05 2jpf n LEU 103 Ca -0.09 -0.47 0.31 0.00 -0.00 0.00 0.00 56.01 55.75 2jpf n LEU 103 Cb 0.43 -0.34 0.56 0.00 -0.00 0.00 0.00 43.42 44.07 2jpf n LEU 103 CO 0.32 0.20 1.00 0.47 -0.00 0.00 0.00 177.39 179.37 2jpf n ASP 104 N -0.10 0.30 -0.33 1.45 9.92 -0.14 0.07 116.55 127.72 2jpf n ASP 104 Ca 0.02 1.50 0.13 0.00 -0.53 0.00 0.00 54.79 55.90 2jpf n ASP 104 Cb 0.22 -0.73 0.25 0.00 -0.64 0.00 0.00 41.12 40.22 2jpf n ASP 104 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2jpf n THR 105 N -5.01 -0.40 -1.27 -3.53 -2.24 -1.26 -5.10 114.28 95.47 2jpf n THR 105 Ca 0.35 2.11 0.00 0.00 -2.27 0.00 0.00 64.05 64.25 2jpf n THR 105 Cb 1.23 -3.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.40 2jpf n THR 105 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80