#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 1.43 0.46 1.64 6.02 -1.26 -4.22 117.38 121.45 2jpf n GLN 2 Ca 0.00 -0.50 -0.19 0.00 -0.01 0.00 0.00 57.00 56.30 2jpf n GLN 2 Cb 0.00 -1.27 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 2jpf n GLN 2 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2jpf h GLN 3 N 0.75 -1.17 -2.23 -1.09 1.08 -2.11 -3.47 115.11 106.86 2jpf h GLN 3 Ca 0.00 0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2jpf h GLN 3 Cb 0.36 0.27 -0.17 0.00 -0.05 0.00 0.00 27.48 27.89 2jpf h GLN 3 CO 0.03 -0.78 0.37 -1.17 -0.95 0.00 0.00 178.83 176.32 2jpf s LEU 4 N -9.59 -0.48 0.05 1.46 0.20 -1.26 -5.13 118.68 103.93 2jpf s LEU 4 Ca -0.18 0.25 -0.34 0.00 0.69 0.00 0.00 54.13 54.55 2jpf s LEU 4 Cb 0.02 2.25 -0.13 0.00 -0.43 0.00 0.00 46.19 47.90 2jpf s LEU 4 CO 0.56 -0.64 1.68 0.00 -0.29 0.00 0.00 176.35 177.65 2jpf n GLN 5 N 0.20 2.07 -0.09 1.98 3.00 -1.26 -4.83 117.38 118.45 2jpf n GLN 5 Ca -0.13 0.75 0.01 0.00 -0.01 0.00 0.00 57.00 57.62 2jpf n GLN 5 Cb 0.61 -2.54 0.05 0.00 0.00 0.00 0.00 30.24 28.36 2jpf n GLN 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jpf n GLU 6 N 4.60 1.39 -2.46 -1.09 1.02 -1.26 -4.87 120.64 117.97 2jpf n GLU 6 Ca 0.19 -0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 56.51 2jpf n GLU 6 Cb 0.28 -1.34 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 2jpf n GLU 6 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jpf s HIS 7 N -1.56 3.53 -0.21 -0.32 3.76 -1.26 -5.03 115.29 114.20 2jpf s HIS 7 Ca 0.07 1.53 -0.07 0.00 -0.15 0.00 0.00 55.06 56.44 2jpf s HIS 7 Cb 0.05 -3.33 0.10 0.00 1.11 0.00 0.00 32.58 30.50 2jpf s HIS 7 CO 0.04 -0.84 0.43 0.00 -0.85 0.00 0.00 174.74 173.52 2jpf s ALA 8 N -0.14 -1.22 0.56 -1.40 0.00 -1.26 -5.16 121.76 113.13 2jpf s ALA 8 Ca 0.51 1.54 -0.19 0.00 0.00 0.00 0.00 51.96 53.82 2jpf s ALA 8 Cb -0.31 -1.38 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 2jpf s ALA 8 CO 0.35 -0.79 1.13 -1.25 0.00 0.00 0.00 175.76 175.20 2jpf s PRO 9 N 2.63 3.30 0.07 0.00 0.04 -1.26 -5.05 135.00 134.74 2jpf s PRO 9 Ca -0.01 1.58 -0.27 0.00 0.04 0.00 0.00 61.00 62.34 2jpf s PRO 9 Cb -0.12 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.50 2jpf s PRO 9 CO -0.13 -0.89 0.89 -1.12 0.04 0.00 0.00 177.00 175.79 2jpf s SER 10 N -1.87 -0.30 1.17 6.66 0.01 -1.26 -5.17 113.70 112.94 2jpf s SER 10 Ca 0.72 -0.17 -0.18 0.00 1.31 0.00 0.00 55.95 57.63 2jpf s SER 10 Cb -0.23 0.45 0.27 0.00 0.21 0.00 0.00 66.02 66.72 2jpf s SER 10 CO 0.28 -0.77 1.09 -1.00 0.41 0.00 0.00 173.24 173.26 2jpf s HIS 11 N -3.25 0.79 0.10 2.43 3.76 -1.26 -5.04 115.29 112.83 2jpf s HIS 11 Ca 0.08 0.62 -0.06 0.00 -0.15 0.00 0.00 55.06 55.55 2jpf s HIS 11 Cb -0.01 -3.37 -0.05 0.00 1.11 0.00 0.00 32.58 30.25 2jpf s HIS 11 CO -0.05 -3.75 0.35 0.00 -0.85 0.00 0.00 174.74 170.45 2jpf s ALA 12 N -2.94 3.80 0.05 -1.40 0.00 -1.26 -5.01 121.76 115.00 2jpf s ALA 12 Ca 0.70 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2jpf s ALA 12 Cb -0.12 -2.13 -0.27 0.00 0.00 0.00 0.00 23.12 20.60 2jpf s ALA 12 CO 0.57 0.65 1.03 -2.95 0.00 0.00 0.00 175.76 175.06 2jpf h ASN 13 N 3.25 0.32 -0.17 0.00 -1.07 -1.99 -3.23 115.58 112.69 2jpf h ASN 13 Ca -0.47 -0.38 0.00 0.00 0.07 0.00 0.00 56.30 55.51 2jpf h ASN 13 Cb 1.18 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.32 2jpf h ASN 13 CO 0.70 1.31 0.00 -0.11 0.07 0.00 0.00 177.43 179.40 2jpf n LEU 14 N -3.44 0.92 -0.09 6.14 7.94 -1.26 -4.10 117.00 123.10 2jpf n LEU 14 Ca -0.10 -0.45 -0.07 0.00 -1.11 0.00 0.00 56.01 54.27 2jpf n LEU 14 Cb 1.02 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.86 2jpf n LEU 14 CO 0.51 0.23 0.94 -0.78 -1.11 0.00 0.00 177.39 177.18 2jpf h ASP 15 N 1.03 0.15 -3.94 1.96 3.58 -1.98 -3.43 116.42 113.79 2jpf h ASP 15 Ca 0.00 0.03 -0.46 0.00 0.42 0.00 0.00 57.03 57.02 2jpf h ASP 15 Cb 0.23 0.01 0.09 0.00 1.72 0.00 0.00 39.33 41.39 2jpf h ASP 15 CO 0.00 0.12 0.30 0.68 -2.88 0.00 0.00 179.24 177.46 2jpf s VAL 16 N -6.16 2.16 -0.03 2.25 -7.23 -1.26 -5.07 120.40 105.06 2jpf s VAL 16 Ca -0.13 -0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.83 2jpf s VAL 16 Cb 0.11 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 2jpf s VAL 16 CO 0.71 0.00 -0.05 0.29 -0.31 0.00 0.00 175.10 175.73 2jpf n LYS 17 N -3.13 0.09 -4.33 4.82 5.02 -1.26 -5.09 118.16 114.28 2jpf n LYS 17 Ca 0.09 0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.29 2jpf n LYS 17 Cb 0.60 -0.71 -0.09 0.00 -0.02 0.00 0.00 35.03 34.81 2jpf n LYS 17 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2jpf s TRP 18 N -1.31 1.62 -0.43 2.13 0.51 -1.25 -5.01 118.94 115.21 2jpf s TRP 18 Ca -0.04 -1.43 -0.27 0.00 -2.12 0.00 0.00 56.10 52.24 2jpf s TRP 18 Cb 0.01 -0.83 -0.06 0.00 -0.81 0.00 0.00 33.47 31.77 2jpf s TRP 18 CO 0.07 -0.58 2.35 -1.17 -0.51 0.00 0.00 176.95 177.10 2jpf s LEU 19 N -3.38 3.41 -1.05 2.99 2.96 -1.19 -1.93 118.68 120.49 2jpf s LEU 19 Ca 0.36 1.26 -0.05 0.00 -0.22 0.00 0.00 54.13 55.48 2jpf s LEU 19 Cb 0.04 -2.76 0.01 0.00 0.50 0.00 0.00 46.19 43.98 2jpf s LEU 19 CO 0.19 -2.64 0.91 -0.67 -1.32 0.00 0.00 176.35 172.81 2jpf n ASP 20 N 14.80 -4.54 -3.46 3.68 2.03 -1.26 -4.47 116.55 123.34 2jpf n ASP 20 Ca 0.35 -0.45 -0.26 0.00 0.52 0.00 0.00 54.79 54.94 2jpf n ASP 20 Cb 0.52 -4.14 -0.09 0.00 -0.72 0.00 0.00 41.12 36.69 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 -1.54 3.18 3.28 0.27 0.00 -0.81 -5.08 105.19 104.49 2jpf n GLY 21 Ca -0.06 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.02 1.63 -0.19 0.99 1.02 -1.26 -3.89 118.68 115.96 2jpf s LEU 22 Ca 0.33 -1.67 -0.16 0.00 0.02 0.00 0.00 54.13 52.65 2jpf s LEU 22 Cb 0.07 0.47 -0.11 0.00 0.02 0.00 0.00 46.19 46.65 2jpf s LEU 22 CO -0.14 -1.00 -0.05 -1.14 0.02 0.00 0.00 176.35 174.04 2jpf n ARG 23 N -0.56 0.52 -3.82 1.70 0.63 -1.26 -5.07 116.66 108.81 2jpf n ARG 23 Ca 0.05 0.49 -0.08 0.00 -0.92 0.00 0.00 57.85 57.39 2jpf n ARG 23 Cb 0.63 -1.67 -0.02 0.00 0.45 0.00 0.00 32.46 31.85 2jpf n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jpf s ALA 24 N -2.57 -1.14 0.00 5.13 0.00 -1.26 -5.00 121.76 116.92 2jpf s ALA 24 Ca -0.25 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2jpf s ALA 24 Cb 0.05 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2jpf s ALA 24 CO 0.42 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2jpf n GLY 25 N -0.44 3.18 0.17 0.00 0.00 -1.26 -4.83 105.19 102.01 2jpf n GLY 25 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2jpf n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jpf n SER 26 N 0.93 0.35 -4.67 1.61 7.64 -1.26 -4.86 113.62 113.36 2jpf n SER 26 Ca 0.00 -2.00 -0.50 0.00 1.01 0.00 0.00 58.87 57.38 2jpf n SER 26 Cb 0.00 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.00 2jpf n SER 26 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2jpf n MET 27 N -0.33 1.86 -2.74 1.43 2.81 -1.26 -0.58 117.12 118.30 2jpf n MET 27 Ca 0.00 0.68 -0.16 0.00 -1.81 0.00 0.00 57.70 56.41 2jpf n MET 27 Cb 0.08 -2.45 -0.00 0.00 -0.71 0.00 0.00 33.22 30.15 2jpf n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jpf n ALA 28 N 4.99 -0.87 -0.01 3.04 0.00 -1.26 -4.78 120.51 121.62 2jpf n ALA 28 Ca 0.21 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 2jpf n ALA 28 Cb 0.25 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.61 2jpf n ALA 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jpf n LEU 29 N -3.17 0.50 -2.04 0.00 -0.00 0.25 -5.03 117.00 107.52 2jpf n LEU 29 Ca -0.11 -0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.75 2jpf n LEU 29 Cb 0.59 0.03 0.02 0.00 -0.00 0.00 0.00 43.42 44.06 2jpf n LEU 29 CO 0.29 0.13 -0.04 0.00 -0.00 0.00 0.00 177.39 177.78 2jpf n GLN 30 N -2.16 -2.93 0.24 1.96 6.02 -1.17 -4.68 117.38 114.65 2jpf n GLN 30 Ca -0.04 0.64 0.08 0.00 -0.01 0.00 0.00 57.00 57.68 2jpf n GLN 30 Cb 0.57 -4.92 0.26 0.00 1.02 0.00 0.00 30.24 27.17 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 -0.77 0.00 0.71 1.08 0.00 -1.96 0.43 103.07 102.55 2jpf h GLY 31 Ca -0.36 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2jpf h GLY 31 CO 0.39 0.00 -0.34 -0.55 0.00 0.00 0.00 176.54 176.04 2jpf h ASP 32 N 0.00 -0.81 1.18 0.19 3.32 -1.92 -2.44 116.42 115.94 2jpf h ASP 32 Ca 0.08 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 2jpf h ASP 32 Cb 1.84 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.58 2jpf h ASP 32 CO -0.00 -0.47 -0.86 -0.37 -1.72 0.00 0.00 179.24 175.82 2jpf h VAL 33 N -1.16 0.48 0.15 -1.35 -1.51 -1.36 -3.08 116.25 108.41 2jpf h VAL 33 Ca -0.10 -1.78 -0.01 0.00 -1.23 0.00 0.00 66.70 63.58 2jpf h VAL 33 Cb 0.73 2.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 2jpf h VAL 33 CO 0.16 0.27 -0.07 0.50 -1.23 0.00 0.00 177.57 177.20 2jpf h LYS 34 N 0.00 -0.19 0.00 5.19 3.64 -0.34 -2.99 116.57 121.88 2jpf h LYS 34 Ca -0.06 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2jpf h LYS 34 Cb 1.34 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 2jpf h LYS 34 CO 0.04 -0.01 -0.54 -0.39 -2.27 0.00 0.00 179.45 176.28 2jpf h VAL 35 N -0.34 1.17 -0.94 2.00 -1.51 -1.58 -3.25 116.25 111.81 2jpf h VAL 35 Ca -0.02 -2.01 0.28 0.00 -1.23 0.00 0.00 66.70 63.72 2jpf h VAL 35 Cb 0.27 2.15 -0.16 0.00 -2.13 0.00 0.00 31.29 31.42 2jpf h VAL 35 CO 0.03 0.53 0.25 -0.25 -1.23 0.00 0.00 177.57 176.90 2jpf h TRP 36 N 0.00 0.35 0.18 5.19 7.01 -1.43 0.33 115.95 127.58 2jpf h TRP 36 Ca -0.01 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2jpf h TRP 36 Cb 1.11 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.15 2jpf h TRP 36 CO 0.00 -0.32 -0.19 1.98 -2.79 0.00 0.00 178.44 177.13 2jpf h MET 37 N 0.12 -0.39 -0.00 2.65 4.05 -1.62 -2.12 114.93 117.62 2jpf h MET 37 Ca 0.63 0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 60.03 2jpf h MET 37 Cb 1.36 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.25 2jpf h MET 37 CO -0.75 -0.26 -0.22 -0.56 0.23 0.00 0.00 176.91 175.36 2jpf h GLN 38 N -0.40 0.00 -0.85 0.39 3.07 -0.87 -1.23 115.11 115.21 2jpf h GLN 38 Ca 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.78 2jpf h GLN 38 Cb 0.38 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.89 2jpf h GLN 38 CO -0.05 0.22 0.55 -0.91 0.09 0.00 0.00 178.83 178.72 2jpf h ASN 39 N 0.00 0.91 0.37 0.06 -0.26 0.15 -2.79 115.58 114.01 2jpf h ASN 39 Ca -0.00 -0.01 -0.32 0.00 -0.56 0.00 0.00 56.30 55.41 2jpf h ASN 39 Cb 0.38 -0.20 0.01 0.00 -1.06 0.00 0.00 38.32 37.46 2jpf h ASN 39 CO 0.03 0.62 -1.52 -0.07 -1.06 0.00 0.00 177.43 175.43 2jpf h LEU 40 N 1.06 0.59 -1.32 1.61 3.38 -1.09 -3.15 115.31 116.40 2jpf h LEU 40 Ca 0.34 -0.73 0.34 0.00 0.09 0.00 0.00 57.88 57.92 2jpf h LEU 40 Cb 0.01 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 40.45 2jpf h LEU 40 CO -0.12 1.59 0.72 -0.08 0.09 0.00 0.00 178.44 180.64 2jpf h GLU 41 N 0.10 0.26 0.02 1.13 4.81 -0.97 0.87 114.58 120.80 2jpf h GLU 41 Ca -0.25 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.87 2jpf h GLU 41 Cb 2.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.39 2jpf h GLU 41 CO 0.21 0.17 -0.49 -0.44 -0.73 0.00 0.00 179.01 177.72 2jpf h ASP 42 N 0.27 0.07 1.00 1.04 5.19 -1.61 -3.26 116.42 119.11 2jpf h ASP 42 Ca 0.70 -0.86 -0.05 0.00 -0.62 0.00 0.00 57.03 56.20 2jpf h ASP 42 Cb 1.94 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 41.43 2jpf h ASP 42 CO -0.40 1.20 -0.48 0.25 -3.12 0.00 0.00 179.24 176.70 2jpf h LEU 43 N -0.90 -1.13 -0.94 1.55 7.12 -1.07 -2.90 115.31 117.04 2jpf h LEU 43 Ca -0.12 0.04 0.28 0.00 0.13 0.00 0.00 57.88 58.21 2jpf h LEU 43 Cb 1.19 0.29 -0.16 0.00 -0.53 0.00 0.00 40.66 41.45 2jpf h LEU 43 CO -0.04 -0.80 0.27 -0.74 -0.13 0.00 0.00 178.44 177.00 2jpf h HIS 44 N -1.36 0.40 -1.28 1.25 2.76 0.67 0.55 115.15 118.14 2jpf h HIS 44 Ca -0.14 0.05 0.41 0.00 -2.20 0.00 0.00 60.37 58.50 2jpf h HIS 44 Cb 1.03 -0.02 -0.12 0.00 1.55 0.00 0.00 27.41 29.84 2jpf h HIS 44 CO 0.00 -0.30 0.83 1.15 -1.30 0.00 0.00 177.93 178.30 2jpf h THR 45 N 0.14 0.17 0.00 6.26 2.02 -1.55 -2.95 112.91 117.00 2jpf h THR 45 Ca 0.63 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.77 2jpf h THR 45 Cb 1.39 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2jpf h THR 45 CO -0.73 0.02 -0.93 -1.14 0.37 0.00 0.00 175.52 173.11 2jpf n ARG 46 N -4.69 0.49 -3.99 6.66 0.63 0.18 -4.98 116.66 110.97 2jpf n ARG 46 Ca 0.36 0.20 -0.29 0.00 -0.92 0.00 0.00 57.85 57.19 2jpf n ARG 46 Cb 1.36 -1.37 -0.17 0.00 0.45 0.00 0.00 32.46 32.74 2jpf n ARG 46 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2jpf s ARG 47 N -2.82 2.04 0.35 -0.14 6.06 -0.21 -5.01 118.95 119.23 2jpf s ARG 47 Ca -0.27 -0.46 0.14 0.00 -2.50 0.00 0.00 55.73 52.64 2jpf s ARG 47 Cb 0.04 -1.93 0.64 0.00 0.06 0.00 0.00 34.95 33.76 2jpf s ARG 47 CO 0.40 -0.24 1.76 -1.00 -2.50 0.00 0.00 175.30 173.71 2jpf h PRO 48 N 8.08 0.00 0.14 5.12 0.13 -1.81 -2.90 132.00 140.76 2jpf h PRO 48 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2jpf h PRO 48 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jpf h PRO 48 CO 0.49 0.44 -0.07 0.22 -0.23 0.00 0.00 178.00 178.85 2jpf h ASP 49 N 0.00 -0.16 0.00 1.44 3.58 -1.95 -3.22 116.42 116.11 2jpf h ASP 49 Ca -0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2jpf h ASP 49 Cb 0.82 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2jpf h ASP 49 CO 0.06 0.39 0.13 -0.62 -2.88 0.00 0.00 179.24 176.32 2jpf n GLU 50 N -4.89 0.10 -0.32 0.28 1.02 -1.24 -2.57 120.64 113.02 2jpf n GLU 50 Ca -0.05 0.57 0.17 0.00 -0.02 0.00 0.00 57.16 57.84 2jpf n GLU 50 Cb 0.18 -1.95 0.35 0.00 -0.02 0.00 0.00 31.44 30.00 2jpf n GLU 50 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2jpf h PHE 51 N 0.00 0.28 0.00 -0.32 -0.00 -1.52 1.61 116.94 116.99 2jpf h PHE 51 Ca 0.00 0.06 -0.09 0.00 -0.00 0.00 0.00 57.97 57.94 2jpf h PHE 51 Cb 0.25 0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.22 2jpf h PHE 51 CO 0.00 -0.35 -0.41 0.00 -0.00 0.00 0.00 178.31 177.55 2jpf h THR 52 N 0.09 1.05 0.00 0.88 1.03 -1.74 -2.85 112.91 111.37 2jpf h THR 52 Ca 0.63 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 65.50 2jpf h THR 52 Cb 1.37 1.88 0.00 0.00 -1.07 0.00 0.00 68.15 70.33 2jpf h THR 52 CO -0.79 0.40 0.17 0.00 -0.01 0.00 0.00 175.52 175.30 2jpf h ALA 53 N 1.59 1.15 0.06 0.00 0.00 0.22 1.48 119.26 123.77 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 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2jpf h ALA 53 CO 0.05 -0.15 -0.03 -0.09 0.00 0.00 0.00 179.25 179.03 2jpf h ARG 54 N 0.00 -0.08 0.00 0.00 9.65 -1.45 -3.37 114.38 119.13 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 0.35 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2jpf h ARG 54 CO 0.00 -0.05 0.00 1.37 2.80 0.00 0.00 179.97 184.09 2jpf h LEU 55 N -0.33 0.00 -1.78 3.80 -0.00 -1.67 -3.26 115.31 112.07 2jpf h LEU 55 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.03 2jpf h LEU 55 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.69 2jpf h LEU 55 CO 0.01 0.00 0.47 -0.61 -0.00 0.00 0.00 178.44 178.31 2jpf h GLN 56 N 0.00 0.21 0.12 0.17 4.15 0.19 0.19 115.11 120.14 2jpf h GLN 56 Ca 0.00 -0.01 -0.29 0.00 0.77 0.00 0.00 58.65 59.11 2jpf h GLN 56 Cb 0.82 -0.05 0.03 0.00 0.21 0.00 0.00 27.48 28.49 2jpf h GLN 56 CO 0.00 0.14 -1.24 1.96 -1.93 0.00 0.00 178.83 177.76 2jpf h GLN 57 N 0.21 0.58 -0.42 1.69 1.08 -1.71 -3.32 115.11 113.22 2jpf h GLN 57 Ca 0.33 -0.78 -0.11 0.00 -1.45 0.00 0.00 58.65 56.64 2jpf h GLN 57 Cb 1.00 0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2jpf h GLN 57 CO -0.06 1.35 -0.17 0.77 -0.95 0.00 0.00 178.83 179.76 2jpf h SER 58 N 0.25 0.88 -1.34 1.46 0.02 -1.26 -2.98 113.55 110.58 2jpf h SER 58 Ca -0.18 -0.39 0.40 0.00 -0.84 0.00 0.00 61.79 60.78 2jpf h SER 58 Cb 1.91 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 64.11 2jpf h SER 58 CO 0.23 1.08 0.91 0.74 -1.14 0.00 0.00 176.83 178.65 2jpf h THR 59 N 0.69 0.25 -0.97 -2.27 2.02 -0.80 0.10 112.91 111.92 2jpf h THR 59 Ca 0.10 -0.04 0.31 0.00 0.77 0.00 0.00 66.41 67.55 2jpf h THR 59 Cb 0.73 0.12 -0.17 0.00 -1.74 0.00 0.00 68.15 67.09 2jpf h THR 59 CO 0.06 0.02 0.29 -0.78 0.37 0.00 0.00 175.52 175.47 2jpf h ASP 60 N 0.12 -0.03 -0.74 4.18 3.58 -1.66 0.61 116.42 122.48 2jpf h ASP 60 Ca 0.74 0.25 0.17 0.00 0.42 0.00 0.00 57.03 58.60 2jpf h ASP 60 Cb 2.48 0.34 -0.12 0.00 1.72 0.00 0.00 39.33 43.75 2jpf h ASP 60 CO -0.24 -0.32 0.10 0.00 -2.88 0.00 0.00 179.24 175.91 2jpf h ALA 61 N 1.93 0.89 0.03 -0.78 0.00 -1.03 0.25 119.26 120.56 2jpf h ALA 61 Ca 0.68 0.20 -0.22 0.00 0.00 0.00 0.00 54.91 55.57 2jpf h ALA 61 Cb 1.57 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2jpf h ALA 61 CO -0.79 -0.39 -1.17 1.25 0.00 0.00 0.00 179.25 178.15 2jpf h LEU 62 N 0.19 0.11 -0.81 0.00 6.46 -0.24 -2.82 115.31 118.20 2jpf h LEU 62 Ca 0.42 -0.69 0.19 0.00 -0.12 0.00 0.00 57.88 57.69 2jpf h LEU 62 Cb 0.74 -0.04 -0.13 0.00 -0.73 0.00 0.00 40.66 40.51 2jpf h LEU 62 CO -0.58 1.48 0.19 0.22 -0.62 0.00 0.00 178.44 179.12 2jpf h TYR 63 N -0.77 0.28 0.03 1.25 5.03 0.13 0.24 116.97 123.16 2jpf h TYR 63 Ca -0.30 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.06 2jpf h TYR 63 Cb 1.42 0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.70 2jpf h TYR 63 CO 0.13 -0.15 -0.02 1.03 -1.32 0.00 0.00 178.16 177.83 2jpf h SER 64 N 0.23 -0.04 -0.91 -2.11 0.87 -0.67 -2.47 113.55 108.44 2jpf h SER 64 Ca 0.48 -0.66 0.24 0.00 -1.23 0.00 0.00 61.79 60.61 2jpf h SER 64 Cb 0.88 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.72 2jpf h SER 64 CO -0.59 0.72 0.39 -0.74 -0.53 0.00 0.00 176.83 176.08 2jpf h HIS 65 N -0.89 0.64 0.26 2.24 -0.00 -1.13 0.90 115.15 117.16 2jpf h HIS 65 Ca -0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2jpf h HIS 65 Cb 0.70 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 2jpf h HIS 65 CO 0.18 -0.09 -0.12 1.25 -0.00 0.00 0.00 177.93 179.14 2jpf h LEU 66 N 0.36 -0.29 -2.01 0.26 5.85 -0.63 0.50 115.31 119.35 2jpf h LEU 66 Ca 0.58 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 59.15 2jpf h LEU 66 Cb 1.15 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 2jpf h LEU 66 CO -0.56 0.18 0.19 -0.08 -0.34 0.00 0.00 178.44 177.83 2jpf h GLU 67 N -0.89 0.00 0.00 1.25 4.81 -0.83 0.89 114.58 119.81 2jpf h GLU 67 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jpf h GLU 67 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jpf h GLU 67 CO 0.06 0.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.15 2jpf h ALA 68 N 1.86 0.00 -0.15 2.92 0.00 0.81 -2.91 119.26 121.80 2jpf h ALA 68 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jpf h ALA 68 Cb 0.50 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2jpf h ALA 68 CO -0.00 0.19 0.10 0.37 0.00 0.00 0.00 179.25 179.91 2jpf h GLN 69 N -0.82 0.19 -0.83 0.00 4.15 0.09 -2.72 115.11 115.17 2jpf h GLN 69 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2jpf h GLN 69 Cb 0.19 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 2jpf h GLN 69 CO 0.00 0.13 0.45 2.35 -1.93 0.00 0.00 178.83 179.83 2jpf h TRP 70 N 0.20 1.15 -1.14 3.99 2.91 0.70 -2.49 115.95 121.27 2jpf h TRP 70 Ca 0.05 -0.03 0.36 0.00 1.13 0.00 0.00 58.89 60.40 2jpf h TRP 70 Cb -0.02 -0.37 -0.13 0.00 -0.51 0.00 0.00 29.16 28.13 2jpf h TRP 70 CO -0.07 0.80 0.71 0.00 -1.03 0.00 0.00 178.44 178.86 2jpf h ALA 71 N 1.24 2.36 -0.87 2.65 0.00 -1.27 0.70 119.26 124.07 2jpf h ALA 71 Ca 0.29 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.47 2jpf h ALA 71 Cb 0.04 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2jpf h ALA 71 CO -0.05 -0.92 0.57 -0.22 0.00 0.00 0.00 179.25 178.63 2jpf h LYS 72 N 0.24 0.64 0.19 0.00 1.63 -1.44 -2.29 116.57 115.53 2jpf h LYS 72 Ca 0.73 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.50 2jpf h LYS 72 Cb 2.01 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 33.47 2jpf h LYS 72 CO -0.45 0.43 -0.32 1.96 -3.45 0.00 0.00 179.45 177.61 2jpf h GLN 73 N 0.66 -0.52 0.00 1.90 1.08 0.27 -3.44 115.11 115.06 2jpf h GLN 73 Ca 0.44 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2jpf h GLN 73 Cb 0.73 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2jpf h GLN 73 CO -0.19 -0.35 -0.06 0.72 -0.95 0.00 0.00 178.83 178.00 2jpf n HIS 74 N -4.30 -1.01 0.00 2.96 8.25 -1.03 -5.06 115.22 115.03 2jpf n HIS 74 Ca -0.06 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2jpf n HIS 74 Cb 0.27 0.49 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 1.67 1.06 0.09 -1.41 0.00 -0.89 -5.00 105.19 100.70 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 -1.68 1.48 0.20 2.61 5.66 -1.26 -4.56 114.28 116.73 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 -2.35 0.41 0.00 -1.55 0.00 0.00 70.33 66.84 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 -5.84 1.09 0.13 -1.98 -3.41 132.00 120.98 2jpf h PRO 77 Ca -0.01 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.72 2jpf h PRO 77 Cb 0.89 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.98 2jpf h PRO 77 CO -0.01 0.33 1.04 -1.25 -0.23 0.00 0.00 178.00 177.88 2jpf s PRO 78 N -3.85 2.59 -0.02 1.56 0.04 -1.26 -4.43 135.00 129.63 2jpf s PRO 78 Ca -0.01 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 60.97 2jpf s PRO 78 Cb 0.12 -4.74 0.04 0.00 0.04 0.00 0.00 34.50 29.97 2jpf s PRO 78 CO 0.68 -3.07 0.45 0.95 0.04 0.00 0.00 177.00 176.05 2jpf s THR 79 N 9.60 0.04 0.66 1.26 -4.23 -1.26 -4.93 115.64 116.77 2jpf s THR 79 Ca 0.69 -0.31 0.16 0.00 -1.18 0.00 0.00 61.69 61.04 2jpf s THR 79 Cb -0.10 -0.78 0.16 0.00 1.34 0.00 0.00 72.50 73.12 2jpf s THR 79 CO 0.10 -0.17 1.48 0.00 -0.54 0.00 0.00 174.62 175.48 2jpf h ALA 80 N 3.47 1.65 0.24 3.99 0.00 -1.94 0.85 119.26 127.52 2jpf h ALA 80 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.28 2jpf h ALA 80 Cb 1.17 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.99 2jpf h ALA 80 CO 0.40 -0.65 -1.53 1.03 0.00 0.00 0.00 179.25 178.50 2jpf h SER 81 N 0.00 0.80 0.00 0.00 0.87 -1.94 -3.34 113.55 109.94 2jpf h SER 81 Ca 0.00 -0.91 -0.13 0.00 -1.23 0.00 0.00 61.79 59.52 2jpf h SER 81 Cb 1.30 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2jpf h SER 81 CO 0.00 1.72 -0.73 0.44 -0.53 0.00 0.00 176.83 177.73 2jpf h ASP 82 N 0.14 0.00 -0.51 6.23 3.32 0.27 -3.33 116.42 122.53 2jpf h ASP 82 Ca -0.27 -0.70 0.15 0.00 0.02 0.00 0.00 57.03 56.23 2jpf h ASP 82 Cb 2.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.69 2jpf h ASP 82 CO 0.26 1.28 1.03 0.58 -1.72 0.00 0.00 179.24 180.67 2jpf h VAL 83 N -1.00 0.02 -0.74 -1.35 2.07 -0.52 0.66 116.25 115.39 2jpf h VAL 83 Ca -0.20 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2jpf h VAL 83 Cb 1.16 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2jpf h VAL 83 CO -0.12 0.00 0.44 -0.37 0.02 0.00 0.00 177.57 177.53 2jpf h VAL 84 N 0.00 1.00 0.00 2.57 -1.51 -1.68 -3.29 116.25 113.33 2jpf h VAL 84 Ca 0.24 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 2jpf h VAL 84 Cb 2.30 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2jpf h VAL 84 CO -0.00 0.15 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 2jpf n GLY 85 N -1.30 0.42 0.21 5.19 0.00 0.18 -4.62 105.19 105.27 2jpf n GLY 85 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 0.48 -7.39 1.61 4.05 -0.21 -3.44 114.93 110.03 2jpf h MET 86 Ca 0.00 -0.03 -0.42 0.00 -0.28 0.00 0.00 59.70 58.98 2jpf h MET 86 Cb 0.04 -0.11 0.19 0.00 -0.80 0.00 0.00 31.60 30.92 2jpf h MET 86 CO 0.00 0.32 0.14 -1.25 0.23 0.00 0.00 176.91 176.34 2jpf s PRO 87 N -6.13 -1.17 -0.00 0.39 0.04 -1.25 -5.00 135.00 121.88 2jpf s PRO 87 Ca -0.13 -0.05 -0.07 0.00 0.04 0.00 0.00 61.00 60.79 2jpf s PRO 87 Cb 0.14 -1.60 -0.30 0.00 0.04 0.00 0.00 34.50 32.78 2jpf s PRO 87 CO 0.74 -3.68 0.85 -0.56 0.04 0.00 0.00 177.00 174.38 2jpf h GLN 88 N -2.56 0.34 -1.22 4.56 3.07 -1.95 -3.33 115.11 114.02 2jpf h GLN 88 Ca -0.45 -0.58 0.43 0.00 0.09 0.00 0.00 58.65 58.14 2jpf h GLN 88 Cb 1.29 0.22 -0.15 0.00 0.08 0.00 0.00 27.48 28.92 2jpf h GLN 88 CO 0.35 1.23 0.75 0.11 0.09 0.00 0.00 178.83 181.37 2jpf h TRP 89 N 0.09 0.64 -0.43 0.06 5.08 -1.94 0.87 115.95 120.32 2jpf h TRP 89 Ca -0.27 0.03 0.04 0.00 1.08 0.00 0.00 58.89 59.77 2jpf h TRP 89 Cb 2.06 -0.15 -0.04 0.00 -3.00 0.00 0.00 29.16 28.03 2jpf h TRP 89 CO 0.08 -0.29 0.21 0.37 -1.28 0.00 0.00 178.44 177.53 2jpf h GLN 90 N 0.07 0.40 0.01 0.12 -0.00 -1.82 -0.85 115.11 113.04 2jpf h GLN 90 Ca 0.83 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 59.40 2jpf h GLN 90 Cb 2.46 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 29.84 2jpf h GLN 90 CO -0.54 0.27 -0.28 1.49 0.00 0.00 0.00 178.83 179.76 2jpf h GLU 91 N 0.41 0.02 -0.22 1.69 4.81 0.32 -3.33 114.58 118.29 2jpf h GLU 91 Ca 0.19 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2jpf h GLU 91 Cb 0.10 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 2jpf h GLU 91 CO -0.14 1.02 -0.44 1.88 -0.73 0.00 0.00 179.01 180.59 2jpf h TYR 92 N -0.96 -1.34 -1.46 0.92 0.05 -0.36 0.29 116.97 114.12 2jpf h TYR 92 Ca -0.07 0.06 0.42 0.00 0.05 0.00 0.00 58.73 59.19 2jpf h TYR 92 Cb 1.10 0.61 -0.06 0.00 1.01 0.00 0.00 36.73 39.39 2jpf h TYR 92 CO 0.24 -0.42 1.04 0.00 -1.05 0.00 0.00 178.16 177.97 2jpf h THR 93 N -0.40 0.26 0.09 -2.88 1.03 -1.33 0.63 112.91 110.31 2jpf h THR 93 Ca 0.04 -0.01 -0.26 0.00 -0.01 0.00 0.00 66.41 66.18 2jpf h THR 93 Cb 0.51 0.25 0.03 0.00 -1.07 0.00 0.00 68.15 67.86 2jpf h THR 93 CO -0.42 0.00 -1.07 0.00 -0.01 0.00 0.00 175.52 174.03 2jpf h ALA 94 N 1.29 0.01 0.00 0.00 0.00 -0.62 -3.20 119.26 116.73 2jpf h ALA 94 Ca 0.70 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jpf h ALA 94 Cb 2.77 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 20.65 2jpf h ALA 94 CO -0.04 0.60 -0.00 1.98 0.00 0.00 0.00 179.25 181.79 2jpf h MET 95 N 0.16 0.00 0.33 0.00 -1.53 0.20 0.26 114.93 114.35 2jpf h MET 95 Ca -0.16 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.09 2jpf h MET 95 Cb 1.76 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.81 2jpf h MET 95 CO 0.21 0.00 -0.16 -0.07 0.14 0.00 0.00 176.91 177.03 2jpf h LEU 96 N 0.00 -0.37 -0.30 3.39 3.38 -1.41 0.46 115.31 120.46 2jpf h LEU 96 Ca -0.00 -0.18 -0.20 0.00 0.09 0.00 0.00 57.88 57.60 2jpf h LEU 96 Cb 0.01 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jpf h LEU 96 CO 0.00 0.04 -0.86 0.08 0.09 0.00 0.00 178.44 177.79 2jpf h ARG 97 N -0.86 0.24 0.03 1.13 0.11 -1.57 0.88 114.38 114.34 2jpf h ARG 97 Ca -0.04 -0.25 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 2jpf h ARG 97 Cb 0.52 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.67 2jpf h ARG 97 CO 0.07 0.96 -0.01 1.49 0.10 0.00 0.00 179.97 182.58 2jpf h GLU 98 N 0.14 -0.04 0.00 0.08 4.81 -0.57 -3.39 114.58 115.61 2jpf h GLU 98 Ca -0.05 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 2jpf h GLU 98 Cb 1.48 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 2jpf h GLU 98 CO 0.13 0.60 -0.99 -0.09 -0.73 0.00 0.00 179.01 177.94 2jpf h ARG 99 N -0.73 0.00 -5.14 1.92 9.65 -0.20 -3.48 114.38 116.40 2jpf h ARG 99 Ca -0.00 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.58 2jpf h ARG 99 Cb 0.66 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.16 2jpf h ARG 99 CO 0.01 0.83 -0.43 1.97 2.80 0.00 0.00 179.97 185.15 2jpf n PHE 100 N -4.49 -1.69 -0.10 2.20 -1.74 0.30 -4.82 117.46 107.12 2jpf n PHE 100 Ca -0.25 0.30 -0.03 0.00 -0.56 0.00 0.00 57.45 56.91 2jpf n PHE 100 Cb 0.58 -2.47 -0.02 0.00 1.52 0.00 0.00 39.48 39.09 2jpf n PHE 100 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2jpf n ALA 101 N -3.08 -0.15 -2.42 1.98 0.00 -1.26 -4.15 120.51 111.43 2jpf n ALA 101 Ca -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 2jpf n ALA 101 Cb 0.54 0.24 0.03 0.00 0.00 0.00 0.00 19.45 20.27 2jpf n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jpf n GLY 102 N -1.06 1.32 0.09 0.00 0.00 -1.26 -4.91 105.19 99.37 2jpf n GLY 102 Ca 0.00 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.62 0.73 -4.97 0.99 -0.00 -1.26 -4.81 117.00 107.07 2jpf n LEU 103 Ca -0.16 0.51 -0.27 0.00 -0.00 0.00 0.00 56.01 56.09 2jpf n LEU 103 Cb 0.83 -0.31 0.17 0.00 -0.00 0.00 0.00 43.42 44.11 2jpf n LEU 103 CO -0.11 -0.14 0.76 -1.81 -0.00 0.00 0.00 177.39 176.08 2jpf s ASP 104 N -4.35 3.41 -0.44 1.45 1.11 -1.26 -4.16 116.67 112.43 2jpf s ASP 104 Ca 0.10 -0.13 -0.05 0.00 0.18 0.00 0.00 52.55 52.66 2jpf s ASP 104 Cb 0.13 0.04 0.05 0.00 1.07 0.00 0.00 42.92 44.21 2jpf s ASP 104 CO 0.61 -2.51 0.13 1.07 1.18 0.00 0.00 175.17 175.65 2jpf n THR 105 N -3.44 -0.06 0.00 -1.27 5.66 -1.26 -5.17 114.28 108.73 2jpf n THR 105 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2jpf n THR 105 Cb 0.60 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 2jpf n THR 105 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64