#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 2.28 -0.01 1.97 -1.52 -1.26 -5.14 119.66 115.99 2jpf s GLN 2 Ca 0.00 -1.95 0.04 0.00 -1.95 0.00 0.00 55.36 51.50 2jpf s GLN 2 Cb 0.00 -2.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.69 2jpf s GLN 2 CO 0.00 -0.43 -0.09 -0.65 -0.25 0.00 0.00 175.29 173.87 2jpf s GLN 3 N -4.15 2.50 0.37 2.91 1.11 -1.26 -5.12 119.66 116.03 2jpf s GLN 3 Ca 0.35 -0.74 -0.17 0.00 0.01 0.00 0.00 55.36 54.81 2jpf s GLN 3 Cb -0.01 -2.45 -0.10 0.00 -1.01 0.00 0.00 33.01 29.44 2jpf s GLN 3 CO 0.21 0.60 0.83 -0.51 0.01 0.00 0.00 175.29 176.43 2jpf s LEU 4 N -1.28 4.00 0.49 2.90 2.01 -1.26 -5.02 118.68 120.53 2jpf s LEU 4 Ca 0.16 1.44 -0.23 0.00 0.01 0.00 0.00 54.13 55.51 2jpf s LEU 4 Cb -0.11 -4.27 -0.07 0.00 0.01 0.00 0.00 46.19 41.75 2jpf s LEU 4 CO 0.06 -0.28 1.32 0.00 1.01 0.00 0.00 176.35 178.46 2jpf n GLN 5 N -0.52 1.84 -3.50 1.70 6.02 -1.26 -5.01 117.38 116.65 2jpf n GLN 5 Ca 0.05 0.66 -0.09 0.00 -0.01 0.00 0.00 57.00 57.61 2jpf n GLN 5 Cb 0.54 -2.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.27 2jpf n GLN 5 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2jpf s GLU 6 N -2.57 0.84 -0.38 -1.09 -1.05 -1.26 -5.13 118.70 108.06 2jpf s GLU 6 Ca 0.66 -0.27 -0.19 0.00 -0.15 0.00 0.00 54.97 55.03 2jpf s GLU 6 Cb -0.45 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.63 2jpf s GLU 6 CO 0.54 -0.36 0.53 -1.01 0.95 0.00 0.00 175.26 175.91 2jpf s HIS 7 N -2.97 3.15 -0.02 4.83 3.76 -1.26 -4.97 115.29 117.82 2jpf s HIS 7 Ca 0.04 0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 54.86 2jpf s HIS 7 Cb -0.01 -3.01 -0.08 0.00 1.11 0.00 0.00 32.58 30.59 2jpf s HIS 7 CO -0.08 -0.63 0.69 0.00 -0.85 0.00 0.00 174.74 173.87 2jpf h ALA 8 N 8.58 -0.61 0.00 -1.40 0.00 -2.03 -3.22 119.26 120.58 2jpf h ALA 8 Ca -0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jpf h ALA 8 Cb 1.12 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jpf h ALA 8 CO 0.80 -0.57 0.00 -0.35 0.00 0.00 0.00 179.25 179.13 2jpf n PRO 9 N -4.73 0.38 -4.06 0.00 -0.04 -1.26 -4.52 135.00 120.77 2jpf n PRO 9 Ca -0.07 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.12 2jpf n PRO 9 Cb 0.21 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.02 2jpf n PRO 9 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jpf s SER 10 N -2.23 3.83 -0.13 3.54 0.15 -1.22 -5.11 113.70 112.53 2jpf s SER 10 Ca 0.20 -0.91 -0.11 0.00 0.70 0.00 0.00 55.95 55.83 2jpf s SER 10 Cb 0.10 -1.55 -0.05 0.00 -1.71 0.00 0.00 66.02 62.81 2jpf s SER 10 CO 0.20 -0.09 0.24 -1.00 1.20 0.00 0.00 173.24 173.79 2jpf s HIS 11 N 1.25 3.53 -0.13 3.44 3.76 -1.26 -4.56 115.29 121.32 2jpf s HIS 11 Ca -0.00 0.59 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 2jpf s HIS 11 Cb -0.16 -2.20 -0.24 0.00 1.11 0.00 0.00 32.58 31.10 2jpf s HIS 11 CO -0.08 0.44 0.33 0.00 -0.85 0.00 0.00 174.74 174.58 2jpf n ALA 12 N 2.88 1.18 0.30 -1.40 0.00 -1.26 -2.49 120.51 119.72 2jpf n ALA 12 Ca -0.15 -0.78 -0.18 0.00 0.00 0.00 0.00 53.44 52.33 2jpf n ALA 12 Cb 0.53 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 19.29 2jpf n ALA 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jpf h ASN 13 N 0.04 -1.25 -0.61 0.00 4.21 -2.00 -2.77 115.58 113.20 2jpf h ASN 13 Ca -0.42 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.19 2jpf h ASN 13 Cb 2.03 0.41 0.00 0.00 -1.12 0.00 0.00 38.32 39.64 2jpf h ASN 13 CO 0.05 -0.64 0.00 0.18 -1.29 0.00 0.00 177.43 175.74 2jpf n LEU 14 N -5.55 4.81 -0.31 1.61 4.32 -1.26 -4.60 117.00 116.02 2jpf n LEU 14 Ca -0.12 -2.43 -0.01 0.00 -0.02 0.00 0.00 56.01 53.43 2jpf n LEU 14 Cb 0.44 -0.60 0.05 0.00 -1.62 0.00 0.00 43.42 41.70 2jpf n LEU 14 CO 0.28 0.74 0.63 -0.78 -1.22 0.00 0.00 177.39 177.04 2jpf h ASP 15 N 3.92 -1.19 -3.40 -1.43 1.82 -1.18 -3.40 116.42 111.56 2jpf h ASP 15 Ca 0.00 0.27 -0.41 0.00 -0.39 0.00 0.00 57.03 56.50 2jpf h ASP 15 Cb 1.53 0.65 0.20 0.00 0.68 0.00 0.00 39.33 42.38 2jpf h ASP 15 CO 0.28 -0.29 0.07 0.68 -1.61 0.00 0.00 179.24 178.37 2jpf s VAL 16 N -6.04 1.53 0.55 2.25 -7.23 -1.26 -5.04 120.40 105.16 2jpf s VAL 16 Ca -0.14 0.00 0.07 0.00 -1.81 0.00 0.00 61.98 60.10 2jpf s VAL 16 Cb 0.20 -2.38 0.05 0.00 0.56 0.00 0.00 36.38 34.81 2jpf s VAL 16 CO 0.72 0.00 0.54 -0.54 -0.31 0.00 0.00 175.10 175.51 2jpf s LYS 17 N -5.30 2.28 1.15 4.82 1.02 -1.26 -5.10 119.74 117.34 2jpf s LYS 17 Ca 0.70 -1.88 -0.18 0.00 0.02 0.00 0.00 55.97 54.64 2jpf s LYS 17 Cb -0.11 -2.30 0.16 0.00 -0.52 0.00 0.00 37.83 35.06 2jpf s LYS 17 CO 0.57 -0.70 0.23 0.91 -0.92 0.00 0.00 175.35 175.44 2jpf n TRP 18 N -1.93 -1.49 -1.69 3.18 7.02 -1.26 -4.78 117.44 116.49 2jpf n TRP 18 Ca 0.05 0.04 -0.43 0.00 -1.02 0.00 0.00 57.50 56.13 2jpf n TRP 18 Cb 0.63 -1.57 -0.03 0.00 -2.42 0.00 0.00 31.31 27.92 2jpf n TRP 18 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2jpf n LEU 19 N -2.45 3.87 -3.72 -0.99 7.99 -1.23 -1.96 117.00 118.50 2jpf n LEU 19 Ca 0.01 1.00 -0.24 0.00 -0.01 0.00 0.00 56.01 56.77 2jpf n LEU 19 Cb 0.60 -1.52 0.05 0.00 -0.11 0.00 0.00 43.42 42.44 2jpf n LEU 19 CO 0.52 0.10 0.07 -0.67 -1.51 0.00 0.00 177.39 175.90 2jpf n ASP 20 N 5.30 -3.41 -1.81 -1.43 2.03 -1.26 -4.63 116.55 111.34 2jpf n ASP 20 Ca 0.18 -0.73 -0.01 0.00 0.52 0.00 0.00 54.79 54.74 2jpf n ASP 20 Cb 0.35 -4.30 0.07 0.00 -0.72 0.00 0.00 41.12 36.51 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 -1.63 2.91 3.12 0.27 0.00 -0.83 -5.03 105.19 104.00 2jpf n GLY 21 Ca -0.13 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.33 3.03 -0.08 0.99 1.02 -1.26 -4.62 118.68 115.43 2jpf s LEU 22 Ca 0.35 -1.04 0.03 0.00 0.02 0.00 0.00 54.13 53.50 2jpf s LEU 22 Cb 0.37 -1.57 -0.07 0.00 0.02 0.00 0.00 46.19 44.94 2jpf s LEU 22 CO -0.08 -0.12 -0.03 -1.14 0.02 0.00 0.00 176.35 175.00 2jpf n ARG 23 N 4.56 1.49 0.49 1.70 0.63 -1.26 -4.56 116.66 119.70 2jpf n ARG 23 Ca -0.17 0.02 -0.20 0.00 -0.92 0.00 0.00 57.85 56.59 2jpf n ARG 23 Cb 0.46 -1.17 -0.10 0.00 0.45 0.00 0.00 32.46 32.10 2jpf n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jpf h ALA 24 N 0.16 -1.33 -2.80 5.13 0.00 -2.06 -3.44 119.26 114.91 2jpf h ALA 24 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jpf h ALA 24 Cb 1.36 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2jpf h ALA 24 CO -0.01 -1.25 0.00 0.41 0.00 0.00 0.00 179.25 178.40 2jpf n GLY 25 N -1.64 0.05 2.95 0.00 0.00 -1.26 -5.03 105.19 100.26 2jpf n GLY 25 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 2jpf n GLY 25 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jpf n SER 26 N -1.23 -4.49 -0.44 1.61 2.88 -1.26 -4.89 113.62 105.80 2jpf n SER 26 Ca 0.00 -0.40 0.02 0.00 -1.33 0.00 0.00 58.87 57.16 2jpf n SER 26 Cb 0.00 -3.77 0.07 0.00 -0.75 0.00 0.00 64.21 59.76 2jpf n SER 26 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2jpf n MET 27 N -3.63 1.48 -3.99 -1.46 2.81 -1.26 -4.66 117.12 106.41 2jpf n MET 27 Ca -0.04 -0.56 -0.33 0.00 -1.81 0.00 0.00 57.70 54.96 2jpf n MET 27 Cb 0.56 -1.29 -0.14 0.00 -0.71 0.00 0.00 33.22 31.64 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jpf s ALA 28 N -1.65 2.76 -0.12 3.04 0.00 -1.26 -4.98 121.76 119.55 2jpf s ALA 28 Ca 0.10 -2.01 -0.25 0.00 0.00 0.00 0.00 51.96 49.80 2jpf s ALA 28 Cb 0.06 -1.84 -0.27 0.00 0.00 0.00 0.00 23.12 21.08 2jpf s ALA 28 CO 0.05 -1.38 0.71 1.25 0.00 0.00 0.00 175.76 176.40 2jpf h LEU 29 N 7.82 0.14 0.00 0.00 7.12 -2.03 -3.39 115.31 124.97 2jpf h LEU 29 Ca -0.16 -0.92 0.00 0.00 0.13 0.00 0.00 57.88 56.94 2jpf h LEU 29 Cb 1.04 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2jpf h LEU 29 CO 0.51 1.21 -1.32 0.00 -0.13 0.00 0.00 178.44 178.71 2jpf n GLN 30 N -4.41 1.01 0.33 1.25 6.02 -1.26 -4.45 117.38 115.86 2jpf n GLN 30 Ca -0.15 -0.08 0.08 0.00 -0.01 0.00 0.00 57.00 56.84 2jpf n GLN 30 Cb 0.62 -1.34 0.42 0.00 1.02 0.00 0.00 30.24 30.96 2jpf n GLN 30 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2jpf h GLY 31 N 3.42 0.00 0.74 1.08 0.00 -1.95 0.28 103.07 106.64 2jpf h GLY 31 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2jpf h GLY 31 CO 0.00 0.00 -0.30 -0.55 0.00 0.00 0.00 176.54 175.69 2jpf h ASP 32 N 0.00 -0.72 0.74 0.19 3.32 -1.81 -3.07 116.42 115.07 2jpf h ASP 32 Ca 0.00 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.78 2jpf h ASP 32 Cb 1.32 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 41.03 2jpf h ASP 32 CO -0.00 -0.36 -1.30 0.58 -1.72 0.00 0.00 179.24 176.44 2jpf h VAL 33 N -1.12 1.37 -0.78 -1.35 2.07 -1.45 -3.22 116.25 111.78 2jpf h VAL 33 Ca -0.09 -3.09 0.21 0.00 0.82 0.00 0.00 66.70 64.55 2jpf h VAL 33 Cb 0.69 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.15 2jpf h VAL 33 CO 0.14 0.82 0.55 0.50 0.02 0.00 0.00 177.57 179.60 2jpf h LYS 34 N 0.02 0.07 0.00 1.57 3.64 -0.62 0.76 116.57 122.01 2jpf h LYS 34 Ca -0.13 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.96 2jpf h LYS 34 Cb 1.89 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.65 2jpf h LYS 34 CO 0.13 0.05 -1.64 -0.39 -2.27 0.00 0.00 179.45 175.32 2jpf h VAL 35 N 0.07 0.88 -0.97 2.00 -1.51 -1.61 -3.35 116.25 111.75 2jpf h VAL 35 Ca 0.37 -2.71 0.28 0.00 -1.23 0.00 0.00 66.70 63.42 2jpf h VAL 35 Cb 1.38 2.42 -0.04 0.00 -2.13 0.00 0.00 31.29 32.93 2jpf h VAL 35 CO -0.03 0.50 1.04 -0.50 -1.23 0.00 0.00 177.57 177.35 2jpf h TRP 36 N 0.00 0.00 0.18 5.19 4.06 -0.84 1.09 115.95 125.63 2jpf h TRP 36 Ca -0.26 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.35 2jpf h TRP 36 Cb 1.97 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.15 2jpf h TRP 36 CO 0.00 0.00 -1.66 0.00 -3.56 0.00 0.00 178.44 173.22 2jpf h MET 37 N 0.00 0.39 0.00 0.49 -0.00 -1.69 -3.32 114.93 110.80 2jpf h MET 37 Ca 0.46 -0.67 -0.09 0.00 -0.00 0.00 0.00 59.70 59.40 2jpf h MET 37 Cb 2.54 0.25 -0.01 0.00 -0.00 0.00 0.00 31.60 34.38 2jpf h MET 37 CO -0.00 1.32 -0.43 -0.56 -0.00 0.00 0.00 176.91 177.24 2jpf h GLN 38 N 0.04 0.00 -0.68 -0.10 3.07 0.82 -2.11 115.11 116.15 2jpf h GLN 38 Ca -0.33 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.35 2jpf h GLN 38 Cb 2.05 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.58 2jpf h GLN 38 CO 0.17 0.43 0.18 -0.97 0.09 0.00 0.00 178.83 178.73 2jpf h ASN 39 N 0.00 1.00 0.68 0.06 -0.73 -0.52 -2.96 115.58 113.11 2jpf h ASN 39 Ca -0.00 -0.19 -0.27 0.00 1.87 0.00 0.00 56.30 57.71 2jpf h ASN 39 Cb 0.94 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 2jpf h ASN 39 CO 0.06 0.95 -1.30 -0.07 -0.37 0.00 0.00 177.43 176.69 2jpf h LEU 40 N 1.02 0.23 -1.17 0.34 3.38 -1.63 -3.19 115.31 114.28 2jpf h LEU 40 Ca 0.22 -0.28 0.28 0.00 0.09 0.00 0.00 57.88 58.19 2jpf h LEU 40 Cb 0.33 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.89 2jpf h LEU 40 CO -0.00 1.23 0.64 -0.08 0.09 0.00 0.00 178.44 180.32 2jpf h GLU 41 N 0.04 0.42 0.00 1.13 4.22 -1.21 1.60 114.58 120.78 2jpf h GLU 41 Ca -0.14 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.27 2jpf h GLU 41 Cb 1.93 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.08 2jpf h GLU 41 CO 0.15 0.28 -0.11 0.22 -2.18 0.00 0.00 179.01 177.36 2jpf h ASP 42 N 0.43 0.00 0.58 1.04 3.58 -1.64 -3.27 116.42 117.14 2jpf h ASP 42 Ca 0.66 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 58.08 2jpf h ASP 42 Cb 1.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.56 2jpf h ASP 42 CO -0.42 0.50 -0.37 0.25 -2.88 0.00 0.00 179.24 176.32 2jpf h LEU 43 N -0.89 -0.94 -0.96 2.28 5.85 -1.46 -2.63 115.31 116.56 2jpf h LEU 43 Ca 0.00 0.06 0.29 0.00 0.84 0.00 0.00 57.88 59.07 2jpf h LEU 43 Cb 0.11 0.28 -0.17 0.00 0.37 0.00 0.00 40.66 41.26 2jpf h LEU 43 CO 0.00 -0.57 0.23 -0.74 -0.34 0.00 0.00 178.44 177.02 2jpf h HIS 44 N -0.90 0.31 -0.95 1.25 2.76 0.22 0.68 115.15 118.53 2jpf h HIS 44 Ca -0.07 0.06 0.24 0.00 -2.20 0.00 0.00 60.37 58.40 2jpf h HIS 44 Cb 0.74 0.02 -0.13 0.00 1.55 0.00 0.00 27.41 29.59 2jpf h HIS 44 CO -0.11 -0.36 0.49 1.15 -1.30 0.00 0.00 177.93 177.79 2jpf h THR 45 N 0.09 0.47 0.00 6.26 2.02 -1.51 -3.21 112.91 117.03 2jpf h THR 45 Ca 0.64 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.67 2jpf h THR 45 Cb 1.43 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2jpf h THR 45 CO -0.79 0.08 -0.08 0.03 0.37 0.00 0.00 175.52 175.14 2jpf h ARG 46 N 0.46 0.00 -4.47 6.66 2.47 0.25 -3.48 114.38 116.27 2jpf h ARG 46 Ca 0.61 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.78 2jpf h ARG 46 Cb 1.19 0.00 -0.36 0.00 -1.65 0.00 0.00 29.97 29.15 2jpf h ARG 46 CO -0.52 0.00 -0.82 0.50 0.56 0.00 0.00 179.97 179.69 2jpf s ARG 47 N -1.20 1.86 -0.02 0.04 3.52 -0.20 -5.04 118.95 117.92 2jpf s ARG 47 Ca -0.02 -0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 2jpf s ARG 47 Cb 0.00 -1.75 -0.18 0.00 -1.56 0.00 0.00 34.95 31.46 2jpf s ARG 47 CO 0.03 -0.19 1.18 -1.00 -0.81 0.00 0.00 175.30 174.51 2jpf h PRO 48 N 7.86 -0.14 -1.31 5.12 0.13 -1.79 -2.64 132.00 139.23 2jpf h PRO 48 Ca -0.32 0.01 0.38 0.00 -0.87 0.00 0.00 66.00 65.19 2jpf h PRO 48 Cb 1.15 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2jpf h PRO 48 CO 0.46 0.30 1.08 0.22 -0.23 0.00 0.00 178.00 179.83 2jpf h ASP 49 N -0.63 0.00 0.64 1.44 3.58 -1.96 1.74 116.42 121.23 2jpf h ASP 49 Ca -0.01 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.25 2jpf h ASP 49 Cb 0.50 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2jpf h ASP 49 CO 0.02 0.00 -1.50 1.21 -2.88 0.00 0.00 179.24 176.10 2jpf n GLU 50 N -3.80 0.62 -0.36 0.28 2.13 -1.18 -4.12 120.64 114.22 2jpf n GLU 50 Ca 0.29 0.22 0.26 0.00 0.66 0.00 0.00 57.16 58.59 2jpf n GLU 50 Cb 1.49 -1.79 0.52 0.00 0.27 0.00 0.00 31.44 31.93 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 0.73 0.00 4.31 -5.15 0.30 1.25 116.94 118.38 2jpf h PHE 51 Ca -0.19 0.03 -0.05 0.00 -0.20 0.00 0.00 57.97 57.56 2jpf h PHE 51 Cb 1.65 -0.20 -0.01 0.00 0.22 0.00 0.00 35.95 37.62 2jpf h PHE 51 CO 0.00 -0.06 -0.22 1.79 -2.00 0.00 0.00 178.31 177.82 2jpf h THR 52 N 0.32 0.39 0.00 0.88 1.35 -1.71 -3.17 112.91 110.97 2jpf h THR 52 Ca 0.69 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2jpf h THR 52 Cb 1.78 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 2jpf h THR 52 CO -0.42 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 175.07 2jpf h ALA 53 N 1.78 1.00 0.20 6.62 0.00 0.14 -0.25 119.26 128.74 2jpf h ALA 53 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jpf h ALA 53 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jpf h ALA 53 CO 0.03 0.00 -0.09 -0.09 0.00 0.00 0.00 179.25 179.09 2jpf h ARG 54 N 0.00 -0.25 0.00 0.00 9.65 -1.42 -3.26 114.38 119.09 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 0.53 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 2jpf h ARG 54 CO 0.00 -0.17 0.00 1.37 2.80 0.00 0.00 179.97 183.97 2jpf h LEU 55 N -0.42 0.00 -1.58 3.80 -0.00 -1.72 -3.11 115.31 112.28 2jpf h LEU 55 Ca -0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.94 2jpf h LEU 55 Cb 0.20 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 2jpf h LEU 55 CO 0.04 0.00 0.40 -0.61 -0.00 0.00 0.00 178.44 178.28 2jpf h GLN 56 N 0.00 0.48 -0.14 0.17 4.15 -1.11 0.45 115.11 119.10 2jpf h GLN 56 Ca 0.00 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.23 2jpf h GLN 56 Cb 0.66 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 2jpf h GLN 56 CO 0.00 0.32 -0.58 1.96 -1.93 0.00 0.00 178.83 178.60 2jpf h GLN 57 N 0.49 0.44 0.00 1.69 4.20 -1.58 -2.78 115.11 117.57 2jpf h GLN 57 Ca 0.27 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2jpf h GLN 57 Cb 0.43 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2jpf h GLN 57 CO -0.08 0.89 -0.05 0.77 -0.67 0.00 0.00 178.83 179.69 2jpf h SER 58 N 0.33 0.00 -0.25 1.46 0.02 -1.30 -3.32 113.55 110.50 2jpf h SER 58 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2jpf h SER 58 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2jpf h SER 58 CO 0.10 0.46 0.63 0.00 -1.14 0.00 0.00 176.83 176.89 2jpf h THR 59 N -0.87 0.09 -0.57 -2.27 1.03 -0.32 -0.91 112.91 109.09 2jpf h THR 59 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.52 2jpf h THR 59 Cb 0.05 0.42 -0.10 0.00 -1.07 0.00 0.00 68.15 67.45 2jpf h THR 59 CO 0.00 0.00 -0.07 0.44 -0.01 0.00 0.00 175.52 175.88 2jpf h ASP 60 N 0.00 -0.40 -0.96 0.00 5.19 -1.59 0.11 116.42 118.78 2jpf h ASP 60 Ca 0.12 0.16 0.12 0.00 -0.62 0.00 0.00 57.03 56.80 2jpf h ASP 60 Cb 1.39 0.30 -0.08 0.00 0.18 0.00 0.00 39.33 41.12 2jpf h ASP 60 CO -0.00 -0.15 0.61 0.00 -3.12 0.00 0.00 179.24 176.58 2jpf h ALA 61 N 1.55 1.61 -0.13 3.45 0.00 -1.37 -1.94 119.26 122.42 2jpf h ALA 61 Ca 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2jpf h ALA 61 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jpf h ALA 61 CO -0.54 0.16 0.02 1.25 0.00 0.00 0.00 179.25 180.14 2jpf h LEU 62 N 0.91 0.21 -0.58 0.00 5.85 -0.97 0.80 115.31 121.53 2jpf h LEU 62 Ca 0.47 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 59.04 2jpf h LEU 62 Cb 0.51 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 2jpf h LEU 62 CO -0.23 0.41 0.06 0.22 -0.34 0.00 0.00 178.44 178.56 2jpf h TYR 63 N -0.00 0.07 0.02 1.25 3.20 -0.52 0.71 116.97 121.69 2jpf h TYR 63 Ca 0.04 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 61.72 2jpf h TYR 63 Cb 0.29 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2jpf h TYR 63 CO 0.02 -0.10 -1.08 0.77 -1.64 0.00 0.00 178.16 176.13 2jpf h SER 64 N 0.17 0.07 0.29 -2.11 0.02 -1.37 -2.39 113.55 108.23 2jpf h SER 64 Ca 0.30 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2jpf h SER 64 Cb 0.46 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2jpf h SER 64 CO -0.44 1.06 -0.16 -0.74 -1.14 0.00 0.00 176.83 175.41 2jpf h HIS 65 N 0.01 -0.40 0.03 3.45 -0.00 0.18 0.46 115.15 118.87 2jpf h HIS 65 Ca -0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2jpf h HIS 65 Cb 1.82 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 29.37 2jpf h HIS 65 CO 0.01 -0.25 -0.01 1.25 -0.00 0.00 0.00 177.93 178.93 2jpf h LEU 66 N -0.41 -0.03 -1.27 0.26 5.85 -1.03 0.59 115.31 119.27 2jpf h LEU 66 Ca -0.03 -0.60 0.10 0.00 0.84 0.00 0.00 57.88 58.18 2jpf h LEU 66 Cb 0.33 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2jpf h LEU 66 CO 0.05 0.61 0.55 -0.08 -0.34 0.00 0.00 178.44 179.22 2jpf h GLU 67 N -0.69 0.79 0.00 1.25 4.22 -1.46 1.36 114.58 120.05 2jpf h GLU 67 Ca -0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 2jpf h GLU 67 Cb 0.63 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2jpf h GLU 67 CO 0.01 0.52 -0.35 0.00 -2.18 0.00 0.00 179.01 177.01 2jpf h ALA 68 N 1.58 0.05 0.45 2.92 0.00 -0.09 -2.86 119.26 121.31 2jpf h ALA 68 Ca 0.39 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jpf h ALA 68 Cb 0.42 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jpf h ALA 68 CO -0.16 0.24 -0.22 0.37 0.00 0.00 0.00 179.25 179.49 2jpf h GLN 69 N -1.00 -0.59 0.00 0.00 -0.00 0.28 -2.92 115.11 110.88 2jpf h GLN 69 Ca -0.07 0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2jpf h GLN 69 Cb 0.63 0.13 -0.00 0.00 0.00 0.00 0.00 27.48 28.24 2jpf h GLN 69 CO -0.04 -0.30 -0.04 2.35 0.00 0.00 0.00 178.83 180.80 2jpf h TRP 70 N -0.83 0.00 -1.09 3.99 7.01 0.17 -2.44 115.95 122.77 2jpf h TRP 70 Ca -0.06 0.00 0.30 0.00 2.11 0.00 0.00 58.89 61.24 2jpf h TRP 70 Cb 0.56 0.00 -0.11 0.00 -2.10 0.00 0.00 29.16 27.51 2jpf h TRP 70 CO -0.00 0.04 0.69 0.00 -2.79 0.00 0.00 178.44 176.38 2jpf h ALA 71 N 1.96 2.26 -0.48 2.65 0.00 -1.30 0.24 119.26 124.59 2jpf h ALA 71 Ca -0.00 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2jpf h ALA 71 Cb 0.09 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jpf h ALA 71 CO 0.01 -0.74 0.92 0.87 0.00 0.00 0.00 179.25 180.30 2jpf h LYS 72 N 0.34 0.00 0.65 0.00 6.56 -1.54 0.16 116.57 122.74 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 1.72 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.38 2jpf h LYS 72 CO -0.37 0.00 -0.31 1.96 -2.06 0.00 0.00 179.45 178.67 2jpf h GLN 73 N 0.00 -0.84 0.00 3.15 1.08 -0.76 -3.44 115.11 114.29 2jpf h GLN 73 Ca 0.23 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 2jpf h GLN 73 Cb 2.06 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 29.68 2jpf h GLN 73 CO -0.00 -0.53 -0.39 0.72 -0.95 0.00 0.00 178.83 177.68 2jpf n HIS 74 N -5.38 -0.27 0.00 2.96 8.25 0.34 -5.04 115.22 116.08 2jpf n HIS 74 Ca -0.12 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2jpf n HIS 74 Cb 0.36 0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 2.28 3.06 0.10 -1.41 0.00 -0.01 -4.82 105.19 104.39 2jpf n GLY 75 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2jpf n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpf h THR 76 N 0.00 1.03 0.00 2.61 1.03 -1.96 -3.37 112.91 112.25 2jpf h THR 76 Ca 0.00 -2.22 -0.08 0.00 -0.01 0.00 0.00 66.41 64.10 2jpf h THR 76 Cb 0.00 2.43 -0.01 0.00 -1.07 0.00 0.00 68.15 69.50 2jpf h THR 76 CO 0.00 0.40 -0.37 1.55 -0.01 0.00 0.00 175.52 177.10 2jpf h PRO 77 N -0.91 0.00 -6.27 0.00 0.13 -1.97 -3.42 132.00 119.56 2jpf h PRO 77 Ca -0.30 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 2jpf h PRO 77 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2jpf h PRO 77 CO -0.15 0.37 1.25 -1.25 -0.23 0.00 0.00 178.00 177.99 2jpf s PRO 78 N -3.86 3.27 -0.03 1.56 0.04 -1.26 -4.58 135.00 130.14 2jpf s PRO 78 Ca -0.01 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 2jpf s PRO 78 Cb 0.12 -4.19 0.09 0.00 0.04 0.00 0.00 34.50 30.56 2jpf s PRO 78 CO 0.69 -1.94 0.80 0.99 0.04 0.00 0.00 177.00 177.58 2jpf s THR 79 N 6.95 0.00 0.51 1.26 2.01 -1.26 -4.91 115.64 120.19 2jpf s THR 79 Ca 0.74 0.00 0.46 0.00 0.31 0.00 0.00 61.69 63.19 2jpf s THR 79 Cb -0.19 -1.00 0.67 0.00 0.01 0.00 0.00 72.50 71.99 2jpf s THR 79 CO 0.31 0.00 1.44 0.00 -0.69 0.00 0.00 174.62 175.68 2jpf n ALA 80 N 0.32 1.72 0.08 7.40 0.00 -1.26 0.10 120.51 128.88 2jpf n ALA 80 Ca -0.14 0.62 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 2jpf n ALA 80 Cb 0.60 -1.05 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 2jpf n ALA 80 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jpf h SER 81 N 0.00 -0.11 0.05 0.00 0.02 -1.94 -2.84 113.55 108.72 2jpf h SER 81 Ca 0.87 -0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 61.51 2jpf h SER 81 Cb 3.44 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 65.99 2jpf h SER 81 CO -0.04 -0.03 -1.41 0.44 -1.14 0.00 0.00 176.83 174.65 2jpf h ASP 82 N -0.18 0.17 -1.30 3.07 3.32 0.40 -3.36 116.42 118.54 2jpf h ASP 82 Ca -0.01 -0.70 0.38 0.00 0.02 0.00 0.00 57.03 56.71 2jpf h ASP 82 Cb 0.15 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 2jpf h ASP 82 CO 0.02 1.58 1.13 0.58 -1.72 0.00 0.00 179.24 180.83 2jpf h VAL 83 N -0.62 0.12 -0.56 -1.35 2.07 -0.26 2.17 116.25 117.82 2jpf h VAL 83 Ca -0.34 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 2jpf h VAL 83 Cb 1.55 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2jpf h VAL 83 CO -0.08 0.00 -0.05 1.62 0.02 0.00 0.00 177.57 179.08 2jpf h VAL 84 N 0.00 1.27 0.00 2.57 3.04 -1.64 -3.30 116.25 118.19 2jpf h VAL 84 Ca 0.62 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 2jpf h VAL 84 Cb 2.87 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 33.05 2jpf h VAL 84 CO -0.01 0.43 -0.06 0.61 -1.01 0.00 0.00 177.57 177.53 2jpf n GLY 85 N -0.34 3.02 0.06 3.17 0.00 0.36 -4.33 105.19 107.13 2jpf n GLY 85 Ca 0.02 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.00 1.61 -1.53 0.29 -3.48 114.93 111.82 2jpf h MET 86 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2jpf h MET 86 Cb 0.88 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.93 2jpf h MET 86 CO 0.00 0.10 0.00 -0.35 0.14 0.00 0.00 176.91 176.80 2jpf n PRO 87 N -4.73 -1.00 0.03 0.39 -0.04 -1.26 -5.00 135.00 123.40 2jpf n PRO 87 Ca -0.03 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.21 2jpf n PRO 87 Cb 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.42 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 0.29 -0.28 0.54 3.07 -1.94 -3.32 115.11 113.47 2jpf h GLN 88 Ca 0.00 -0.49 0.08 0.00 0.09 0.00 0.00 58.65 58.33 2jpf h GLN 88 Cb 0.00 0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 2jpf h GLN 88 CO 0.00 1.24 0.87 0.11 0.09 0.00 0.00 178.83 181.13 2jpf h TRP 89 N -0.20 0.00 -0.00 0.06 0.09 -1.94 0.25 115.95 114.20 2jpf h TRP 89 Ca -0.30 0.00 0.01 0.00 0.09 0.00 0.00 58.89 58.69 2jpf h TRP 89 Cb 1.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 31.07 2jpf h TRP 89 CO 0.12 0.00 -0.04 -0.56 0.09 0.00 0.00 178.44 178.05 2jpf h GLN 90 N 0.00 -0.07 0.21 0.12 -0.00 -1.75 0.64 115.11 114.26 2jpf h GLN 90 Ca 0.13 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.48 2jpf h GLN 90 Cb 1.87 0.02 0.03 0.00 -0.00 0.00 0.00 27.48 29.39 2jpf h GLN 90 CO -0.00 -0.04 -1.40 1.49 -0.00 0.00 0.00 178.83 178.87 2jpf h GLU 91 N -0.07 0.45 0.46 0.06 4.81 -0.77 -3.24 114.58 116.27 2jpf h GLU 91 Ca 0.02 -0.76 -0.01 0.00 -0.13 0.00 0.00 59.36 58.47 2jpf h GLU 91 Cb 0.09 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2jpf h GLU 91 CO -0.05 1.37 -0.43 1.88 -0.73 0.00 0.00 179.01 181.05 2jpf h TYR 92 N 0.00 -1.17 -0.48 0.92 0.05 -1.40 0.59 116.97 115.49 2jpf h TYR 92 Ca -0.26 0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.67 2jpf h TYR 92 Cb 2.03 0.45 -0.02 0.00 1.01 0.00 0.00 36.73 40.20 2jpf h TYR 92 CO 0.14 -0.59 0.41 0.00 -1.05 0.00 0.00 178.16 177.06 2jpf h THR 93 N -0.89 0.56 0.10 -2.88 1.03 -1.03 0.41 112.91 110.21 2jpf h THR 93 Ca -0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.06 2jpf h THR 93 Cb 0.78 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 68.55 2jpf h THR 93 CO -0.05 0.00 -1.46 0.00 -0.01 0.00 0.00 175.52 174.00 2jpf h ALA 94 N 1.64 0.29 0.00 0.00 0.00 -1.30 -3.29 119.26 116.59 2jpf h ALA 94 Ca 0.23 -1.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 2jpf h ALA 94 Cb 1.04 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jpf h ALA 94 CO -0.00 1.15 -0.04 1.98 0.00 0.00 0.00 179.25 182.34 2jpf h MET 95 N 0.06 0.00 0.41 0.00 -1.53 0.24 0.37 114.93 114.48 2jpf h MET 95 Ca -0.21 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.03 2jpf h MET 95 Cb 1.99 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.04 2jpf h MET 95 CO 0.16 0.04 -0.20 -0.07 0.14 0.00 0.00 176.91 176.98 2jpf h LEU 96 N 0.00 -0.47 -0.35 3.39 3.38 -1.53 0.32 115.31 120.05 2jpf h LEU 96 Ca -0.00 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 2jpf h LEU 96 Cb 0.14 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2jpf h LEU 96 CO 0.01 -0.06 -0.81 0.08 0.09 0.00 0.00 178.44 177.75 2jpf h ARG 97 N -0.99 0.29 0.14 1.13 0.11 -1.65 0.32 114.38 113.74 2jpf h ARG 97 Ca -0.06 -0.28 -0.01 0.00 0.10 0.00 0.00 59.98 59.74 2jpf h ARG 97 Cb 0.55 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.70 2jpf h ARG 97 CO 0.09 0.96 -0.07 1.49 0.10 0.00 0.00 179.97 182.54 2jpf h GLU 98 N 0.18 -0.19 -0.69 0.08 4.57 -0.36 -3.27 114.58 114.90 2jpf h GLU 98 Ca -0.04 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2jpf h GLU 98 Cb 1.41 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.99 2jpf h GLU 98 CO 0.13 0.27 0.10 -2.13 -1.18 0.00 0.00 179.01 176.20 2jpf n ARG 99 N -4.91 4.07 -0.12 1.92 3.00 0.11 -4.52 116.66 116.21 2jpf n ARG 99 Ca -0.08 -2.78 0.27 0.00 -0.00 0.00 0.00 57.85 55.26 2jpf n ARG 99 Cb 0.27 -2.16 0.71 0.00 0.00 0.00 0.00 32.46 31.28 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 3.09 0.00 -1.02 -0.14 -0.00 -0.38 0.84 116.94 119.32 2jpf h PHE 100 Ca 0.10 0.00 0.26 0.00 -0.00 0.00 0.00 57.97 58.33 2jpf h PHE 100 Cb 1.97 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 37.83 2jpf h PHE 100 CO 1.05 0.00 0.67 0.00 -0.00 0.00 0.00 178.31 180.03 2jpf h ALA 101 N 1.37 2.29 -2.56 12.09 0.00 -1.82 -3.20 119.26 127.42 2jpf h ALA 101 Ca 0.38 0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.74 2jpf h ALA 101 Cb 1.76 0.02 -0.39 0.00 0.00 0.00 0.00 17.79 19.18 2jpf h ALA 101 CO -0.00 -0.67 -0.87 0.20 0.00 0.00 0.00 179.25 177.91 2jpf s GLY 102 N -3.90 1.67 -0.21 0.00 0.00 0.29 -4.94 107.32 100.23 2jpf s GLY 102 Ca -0.08 -2.82 -0.17 0.00 0.00 0.00 0.00 44.72 41.64 2jpf s GLY 102 CO 0.80 1.84 0.14 1.04 0.00 0.00 0.00 173.10 176.92 2jpf n LEU 103 N 2.62 2.03 -0.45 0.66 4.77 -1.21 -4.15 117.00 121.26 2jpf n LEU 103 Ca 0.27 0.36 0.38 0.00 -0.03 0.00 0.00 56.01 56.99 2jpf n LEU 103 Cb 0.44 -0.97 0.58 0.00 -2.33 0.00 0.00 43.42 41.15 2jpf n LEU 103 CO 0.13 0.43 1.22 0.47 -1.33 0.00 0.00 177.39 178.31 2jpf n ASP 104 N -4.22 0.00 -0.47 -1.43 9.92 -1.26 -0.31 116.55 118.77 2jpf n ASP 104 Ca -0.36 0.79 0.40 0.00 -0.53 0.00 0.00 54.79 55.09 2jpf n ASP 104 Cb 0.78 -0.35 0.68 0.00 -0.64 0.00 0.00 41.12 41.58 2jpf n ASP 104 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2jpf n THR 105 N -3.40 -0.25 0.00 -3.53 5.66 -1.26 -5.30 114.28 106.19 2jpf n THR 105 Ca 0.32 1.80 0.00 0.00 -3.05 0.00 0.00 64.05 63.12 2jpf n THR 105 Cb 1.60 -2.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 2jpf n THR 105 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32