#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jol s ILE 2 N 0.00 3.25 0.06 3.17 1.01 -1.26 -1.11 121.20 126.32 1jol s ILE 2 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1jol s ILE 2 Cb 0.00 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1jol s ILE 2 CO 0.00 0.57 -0.14 -0.44 0.00 0.00 0.00 174.94 174.93 1jol s SER 3 N -0.82 1.66 -0.05 3.58 0.01 -0.09 -1.31 113.70 116.67 1jol s SER 3 Ca 0.12 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1jol s SER 3 Cb -0.11 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1jol s SER 3 CO 0.01 -0.05 -0.09 -0.76 0.41 0.00 0.00 173.24 172.76 1jol s LEU 4 N -1.58 3.02 -0.05 2.44 1.02 -0.84 0.25 118.68 122.95 1jol s LEU 4 Ca -0.01 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.07 1jol s LEU 4 Cb -0.09 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.48 1jol s LEU 4 CO 0.02 0.35 -0.08 -0.51 0.02 0.00 0.00 176.35 176.15 1jol s ILE 5 N -0.80 0.82 0.09 -0.59 2.07 -0.89 -1.10 121.20 120.80 1jol s ILE 5 Ca 0.12 -0.31 -0.21 0.00 -1.41 0.00 0.00 60.65 58.85 1jol s ILE 5 Cb -0.11 -0.78 0.05 0.00 0.13 0.00 0.00 42.46 41.75 1jol s ILE 5 CO 0.02 0.28 0.50 0.00 -1.91 0.00 0.00 174.94 173.83 1jol s ALA 6 N 0.70 -1.27 -0.19 1.50 0.00 -0.75 -4.62 121.76 117.13 1jol s ALA 6 Ca -0.12 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 1jol s ALA 6 Cb -0.14 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 1jol s ALA 6 CO 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 175.76 175.08 1jol s ALA 7 N -3.02 2.62 -0.08 0.00 0.00 -1.26 -0.91 121.76 119.10 1jol s ALA 7 Ca -0.02 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1jol s ALA 7 Cb -0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 1jol s ALA 7 CO -0.06 -0.28 -0.18 -0.51 0.00 0.00 0.00 175.76 174.72 1jol s LEU 8 N 1.22 2.45 0.00 0.00 1.43 0.11 -4.74 118.68 119.14 1jol s LEU 8 Ca 0.02 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1jol s LEU 8 Cb -0.14 -1.50 0.12 0.00 0.03 0.00 0.00 46.19 44.70 1jol s LEU 8 CO -0.05 0.24 0.76 0.00 0.23 0.00 0.00 176.35 177.54 1jol n ALA 9 N 3.02 -0.20 -1.75 4.21 0.00 -0.77 -0.35 120.51 124.66 1jol n ALA 9 Ca -0.18 -1.32 -0.39 0.00 0.00 0.00 0.00 53.44 51.55 1jol n ALA 9 Cb 0.52 0.14 0.04 0.00 0.00 0.00 0.00 19.45 20.16 1jol n ALA 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jol s VAL 10 N -2.36 2.01 -1.16 0.00 -7.23 -0.73 -1.71 120.40 109.23 1jol s VAL 10 Ca 0.48 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 1jol s VAL 10 Cb -0.02 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1jol s VAL 10 CO 0.32 0.00 0.00 0.47 -0.31 0.00 0.00 175.10 175.58 1jol n ASP 11 N -0.97 -4.19 -1.71 4.85 8.00 -1.26 -3.10 116.55 118.18 1jol n ASP 11 Ca 0.10 0.19 -0.19 0.00 0.71 0.00 0.00 54.79 55.60 1jol n ASP 11 Cb 0.44 -2.95 -0.05 0.00 -0.02 0.00 0.00 41.12 38.54 1jol n ASP 11 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jol n ARG 12 N -2.48 -1.38 -2.22 -1.24 1.74 -0.69 -4.86 116.66 105.53 1jol n ARG 12 Ca -0.12 1.07 -0.41 0.00 -0.77 0.00 0.00 57.85 57.62 1jol n ARG 12 Cb 0.46 -5.46 -0.03 0.00 -1.02 0.00 0.00 32.46 26.41 1jol n ARG 12 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jol s VAL 13 N -2.79 3.07 0.29 1.55 1.01 -1.18 -0.16 120.40 122.19 1jol s VAL 13 Ca 0.00 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.01 1jol s VAL 13 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1jol s VAL 13 CO 0.00 0.19 -0.01 0.27 0.00 0.00 0.00 175.10 175.55 1jol s ILE 14 N -0.53 1.42 0.87 2.22 -4.36 -0.44 -1.85 121.20 118.52 1jol s ILE 14 Ca 0.52 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 1jol s ILE 14 Cb -0.37 -2.54 0.12 0.00 1.25 0.00 0.00 42.46 40.92 1jol s ILE 14 CO 0.44 -0.22 1.11 -0.83 0.24 0.00 0.00 174.94 175.68 1jol s GLY 15 N -3.44 1.66 0.03 6.27 0.00 -1.26 -4.47 107.32 106.12 1jol s GLY 15 Ca 0.31 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1jol s GLY 15 CO 0.12 0.74 0.00 -0.13 0.00 0.00 0.00 173.10 173.83 1jol n MET 16 N -3.96 0.00 0.09 2.90 1.56 -1.26 -4.68 117.12 111.77 1jol n MET 16 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 1jol n MET 16 Cb 0.53 -0.47 0.00 0.00 2.15 0.00 0.00 33.22 35.43 1jol n MET 16 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1jol n GLU 17 N -3.14 0.00 -2.08 2.12 2.13 -1.26 -4.89 120.64 113.52 1jol n GLU 17 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 1jol n GLU 17 Cb 0.32 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.05 1jol n GLU 17 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1jol s ASN 18 N -4.66 5.56 0.52 4.31 0.02 -1.26 -4.88 114.94 114.55 1jol s ASN 18 Ca 0.00 2.05 -0.22 0.00 -1.02 0.00 0.00 52.86 53.67 1jol s ASN 18 Cb 0.00 -2.56 -0.06 0.00 0.02 0.00 0.00 41.25 38.65 1jol s ASN 18 CO 0.00 -1.32 1.31 0.00 0.02 0.00 0.00 177.10 177.11 1jol s ALA 19 N -2.07 2.87 0.39 0.60 0.00 -1.26 -4.90 121.76 117.39 1jol s ALA 19 Ca 0.69 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 53.63 1jol s ALA 19 Cb -0.21 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 1jol s ALA 19 CO 0.33 -1.18 1.11 -1.64 0.00 0.00 0.00 175.76 174.37 1jol s MET 20 N -2.84 4.15 -1.41 0.00 1.00 -1.26 -4.93 119.30 114.01 1jol s MET 20 Ca 0.69 1.68 -0.14 0.00 0.00 0.00 0.00 55.69 57.92 1jol s MET 20 Cb -0.37 -2.66 0.01 0.00 0.00 0.00 0.00 34.83 31.81 1jol s MET 20 CO 0.44 -0.19 2.29 -0.35 0.00 0.00 0.00 175.02 177.21 1jol n PRO 21 N 0.10 2.82 -3.73 2.03 -0.04 -1.26 -4.81 135.00 130.11 1jol n PRO 21 Ca 0.04 -2.47 -0.08 0.00 -0.04 0.00 0.00 63.50 60.95 1jol n PRO 21 Cb 0.48 -3.19 -0.02 0.00 -0.04 0.00 0.00 33.50 30.73 1jol n PRO 21 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1jol s TRP 22 N 3.24 -0.27 -0.25 0.54 -2.14 -1.26 -5.09 118.94 113.71 1jol s TRP 22 Ca 0.50 -0.10 -0.03 0.00 2.66 0.00 0.00 56.10 59.14 1jol s TRP 22 Cb 0.14 0.66 0.11 0.00 -3.10 0.00 0.00 33.47 31.29 1jol s TRP 22 CO -0.07 -1.07 0.24 1.21 -2.66 0.00 0.00 176.95 174.60 1jol s ASN 23 N -2.87 1.84 -0.53 -2.66 2.47 -1.26 -5.03 114.94 106.90 1jol s ASN 23 Ca 0.09 -0.61 0.05 0.00 0.42 0.00 0.00 52.86 52.80 1jol s ASN 23 Cb -0.04 0.32 0.17 0.00 -1.45 0.00 0.00 41.25 40.25 1jol s ASN 23 CO 0.01 -0.37 0.42 0.18 -3.72 0.00 0.00 177.10 173.62 1jol n LEU 24 N 5.30 1.03 0.06 3.21 4.77 -1.26 -0.54 117.00 129.57 1jol n LEU 24 Ca -0.04 -4.74 0.09 0.00 -0.03 0.00 0.00 56.01 51.29 1jol n LEU 24 Cb 0.47 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 42.11 1jol n LEU 24 CO 0.04 1.83 1.14 1.55 -1.33 0.00 0.00 177.39 180.63 1jol h PRO 25 N 5.45 0.27 0.00 3.23 0.13 -1.98 -1.20 132.00 137.89 1jol h PRO 25 Ca 0.21 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1jol h PRO 25 Cb 0.84 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1jol h PRO 25 CO 0.52 0.18 -0.24 0.00 -0.23 0.00 0.00 178.00 178.23 1jol h ALA 26 N 1.81 1.58 -0.13 -0.56 0.00 -1.92 -1.83 119.26 118.21 1jol h ALA 26 Ca 0.15 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 1jol h ALA 26 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jol h ALA 26 CO -0.03 0.30 -0.74 0.22 0.00 0.00 0.00 179.25 179.00 1jol h ASP 27 N 0.00 0.87 -0.15 0.00 3.58 -1.65 -2.03 116.42 117.04 1jol h ASP 27 Ca -0.00 -0.64 -0.06 0.00 0.42 0.00 0.00 57.03 56.75 1jol h ASP 27 Cb 0.43 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1jol h ASP 27 CO 0.03 1.38 -0.06 -0.07 -2.88 0.00 0.00 179.24 177.63 1jol h LEU 28 N 0.43 0.43 -0.86 2.28 3.38 -1.13 -0.11 115.31 119.73 1jol h LEU 28 Ca -0.06 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1jol h LEU 28 Cb 1.37 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1jol h LEU 28 CO 0.15 0.54 -0.08 0.00 0.09 0.00 0.00 178.44 179.15 1jol h ALA 29 N 1.51 1.04 -0.51 1.53 0.00 -1.30 0.14 119.26 121.67 1jol h ALA 29 Ca 0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1jol h ALA 29 Cb 0.38 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jol h ALA 29 CO 0.02 0.58 0.00 2.35 0.00 0.00 0.00 179.25 182.20 1jol h TRP 30 N 0.70 0.98 -0.18 0.00 2.91 -0.56 -0.13 115.95 119.68 1jol h TRP 30 Ca 0.12 -0.17 -0.00 0.00 1.13 0.00 0.00 58.89 59.97 1jol h TRP 30 Cb 0.54 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 1jol h TRP 30 CO 0.03 0.91 0.10 0.35 -1.03 0.00 0.00 178.44 178.80 1jol h PHE 31 N 0.77 0.24 -0.21 2.65 3.04 -0.53 -2.27 116.94 120.63 1jol h PHE 31 Ca 0.14 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 1jol h PHE 31 Cb 0.52 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1jol h PHE 31 CO 0.04 0.23 0.09 -0.22 -2.02 0.00 0.00 178.31 176.43 1jol h LYS 32 N 0.19 0.31 0.00 1.11 3.64 -0.57 -1.07 116.57 120.17 1jol h LYS 32 Ca 0.06 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1jol h LYS 32 Cb 0.07 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1jol h LYS 32 CO -0.01 0.34 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.35 1jol h ARG 33 N 0.20 0.00 0.00 1.90 2.43 -0.91 -0.81 114.38 117.19 1jol h ARG 33 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1jol h ARG 33 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1jol h ARG 33 CO -0.01 0.07 -0.60 0.09 -1.51 0.00 0.00 179.97 178.01 1jol n ASN 34 N -4.38 0.58 -0.00 -3.80 3.02 -0.87 -4.23 115.26 105.58 1jol n ASN 34 Ca -0.03 -0.10 0.04 0.00 -0.03 0.00 0.00 54.58 54.46 1jol n ASN 34 Cb 0.15 0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 39.55 1jol n ASN 34 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jol n THR 35 N -1.78 0.00 -1.65 3.41 -2.24 -0.43 -5.00 114.28 106.60 1jol n THR 35 Ca 0.04 -0.26 -0.46 0.00 -2.27 0.00 0.00 64.05 61.11 1jol n THR 35 Cb 0.39 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 1jol n THR 35 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1jol n LEU 36 N -1.44 2.82 -0.90 3.22 7.94 -0.36 -1.93 117.00 126.36 1jol n LEU 36 Ca 0.00 1.14 -0.09 0.00 -1.11 0.00 0.00 56.01 55.95 1jol n LEU 36 Cb 0.15 -1.39 -0.02 0.00 0.53 0.00 0.00 43.42 42.68 1jol n LEU 36 CO 0.15 -0.62 -0.11 0.47 -1.11 0.00 0.00 177.39 176.17 1jol n ASP 37 N 2.18 -3.72 -4.14 1.96 8.00 0.52 -5.03 116.55 116.32 1jol n ASP 37 Ca 0.12 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.63 1jol n ASP 37 Cb 0.30 -2.50 -0.11 0.00 -0.02 0.00 0.00 41.12 38.80 1jol n ASP 37 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jol s LYS 38 N -3.60 0.75 0.37 -1.24 1.02 -0.81 -4.98 119.74 111.25 1jol s LYS 38 Ca 0.00 -1.15 -0.25 0.00 0.02 0.00 0.00 55.97 54.60 1jol s LYS 38 Cb 0.00 -0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 36.95 1jol s LYS 38 CO 0.00 0.01 1.01 -1.25 -0.92 0.00 0.00 175.35 174.20 1jol s PRO 39 N -3.05 4.32 -0.05 -1.68 0.04 -1.26 -2.84 135.00 130.47 1jol s PRO 39 Ca 0.05 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1jol s PRO 39 Cb -0.00 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.92 1jol s PRO 39 CO -0.03 0.01 -0.19 0.14 0.04 0.00 0.00 177.00 176.98 1jol s VAL 40 N -1.67 1.56 -0.15 -0.36 -7.23 0.26 -1.20 120.40 111.60 1jol s VAL 40 Ca 0.55 -0.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 1jol s VAL 40 Cb -0.20 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1jol s VAL 40 CO 0.26 0.44 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.77 1jol s ILE 41 N 0.01 3.31 0.11 -0.62 1.01 -0.36 -1.36 121.20 123.29 1jol s ILE 41 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1jol s ILE 41 Cb -0.12 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1jol s ILE 41 CO 0.03 0.50 0.07 0.00 0.00 0.00 0.00 174.94 175.54 1jol s MET 42 N 0.57 0.87 0.69 2.79 0.23 -0.75 0.40 119.30 124.10 1jol s MET 42 Ca -0.06 -1.32 -0.02 0.00 -1.03 0.00 0.00 55.69 53.26 1jol s MET 42 Cb -0.15 0.26 0.10 0.00 -1.53 0.00 0.00 34.83 33.51 1jol s MET 42 CO 0.03 -0.25 0.96 0.20 -2.03 0.00 0.00 175.02 173.93 1jol s GLY 43 N -2.99 1.77 0.35 3.16 0.00 0.13 -0.91 107.32 108.82 1jol s GLY 43 Ca 0.18 -1.53 0.07 0.00 0.00 0.00 0.00 44.72 43.44 1jol s GLY 43 CO -0.02 -1.04 1.87 -0.09 0.00 0.00 0.00 173.10 173.82 1jol h ARG 44 N -0.44 0.37 -0.06 2.90 9.65 -1.90 -2.39 114.38 122.51 1jol h ARG 44 Ca -0.39 -0.09 -0.19 0.00 -1.10 0.00 0.00 59.98 58.21 1jol h ARG 44 Cb 1.28 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1jol h ARG 44 CO 0.45 0.49 -0.76 0.45 2.80 0.00 0.00 179.97 183.40 1jol h HIS 45 N 0.34 0.53 -0.47 2.20 3.86 -1.94 -2.34 115.15 117.33 1jol h HIS 45 Ca 0.07 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.00 1jol h HIS 45 Cb 0.42 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1jol h HIS 45 CO 0.01 1.01 0.15 1.15 0.86 0.00 0.00 177.93 181.10 1jol h THR 46 N 0.26 1.22 -0.53 2.45 2.02 -1.79 -1.73 112.91 114.81 1jol h THR 46 Ca -0.04 -0.74 0.08 0.00 0.77 0.00 0.00 66.41 66.49 1jol h THR 46 Cb 1.34 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 1jol h THR 46 CO 0.13 0.27 0.16 -0.25 0.37 0.00 0.00 175.52 176.20 1jol h TRP 47 N 0.62 0.28 -0.53 3.16 2.91 -1.33 0.53 115.95 121.58 1jol h TRP 47 Ca 0.15 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.14 1jol h TRP 47 Cb 0.26 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1jol h TRP 47 CO 0.01 0.06 0.10 0.93 -1.03 0.00 0.00 178.44 178.51 1jol h GLU 48 N 0.33 0.84 -0.40 2.65 4.39 -1.17 -1.35 114.58 119.87 1jol h GLU 48 Ca 0.26 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.67 1jol h GLU 48 Cb 0.32 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1jol h GLU 48 CO -0.29 0.78 -0.18 0.77 -1.16 0.00 0.00 179.01 178.92 1jol h SER 49 N 0.80 0.85 -0.52 1.42 0.02 -0.38 -3.05 113.55 112.70 1jol h SER 49 Ca 0.17 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 1jol h SER 49 Cb 0.34 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1jol h SER 49 CO 0.00 1.06 -0.08 0.40 -1.14 0.00 0.00 176.83 177.08 1jol h ILE 50 N 0.64 1.27 0.00 3.27 2.04 -0.70 -3.47 117.51 120.55 1jol h ILE 50 Ca 0.09 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1jol h ILE 50 Cb 0.74 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1jol h ILE 50 CO 0.06 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.25 1jol n GLY 51 N -0.35 2.14 3.69 5.37 0.00 -0.53 -4.96 105.19 110.55 1jol n GLY 51 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1jol n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jol s ARG 52 N -0.27 0.85 0.35 1.61 1.04 -1.26 -5.06 118.95 116.21 1jol s ARG 52 Ca 0.00 -0.46 -0.28 0.00 -1.04 0.00 0.00 55.73 53.95 1jol s ARG 52 Cb 0.00 0.30 -0.10 0.00 -2.04 0.00 0.00 34.95 33.11 1jol s ARG 52 CO 0.00 -0.39 1.32 -2.14 -0.04 0.00 0.00 175.30 174.05 1jol s PRO 53 N -2.93 4.25 -0.04 3.89 0.02 -1.26 -4.95 135.00 133.98 1jol s PRO 53 Ca 0.12 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.08 1jol s PRO 53 Cb 0.01 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1jol s PRO 53 CO -0.01 -0.29 1.14 -0.51 -0.33 0.00 0.00 177.00 177.01 1jol s LEU 54 N -1.96 4.30 0.64 -5.54 1.43 -1.26 -4.97 118.68 111.31 1jol s LEU 54 Ca 0.51 1.78 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 1jol s LEU 54 Cb -0.40 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.25 1jol s LEU 54 CO 0.53 -0.50 1.09 -2.16 0.23 0.00 0.00 176.35 175.54 1jol s PRO 55 N 1.83 2.96 -0.04 1.29 0.04 -1.26 -3.16 135.00 136.67 1jol s PRO 55 Ca 0.55 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1jol s PRO 55 Cb -0.24 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1jol s PRO 55 CO 0.23 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1jol n GLY 56 N -0.68 0.33 2.99 0.56 0.00 -1.26 -4.85 105.19 102.29 1jol n GLY 56 Ca 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1jol n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jol s ARG 57 N -0.87 0.35 -0.28 1.61 0.52 -1.19 -0.36 118.95 118.73 1jol s ARG 57 Ca 0.00 -0.66 -0.25 0.00 -0.52 0.00 0.00 55.73 54.31 1jol s ARG 57 Cb 0.00 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1jol s ARG 57 CO 0.00 -0.04 0.84 0.21 0.02 0.00 0.00 175.30 176.33 1jol s LYS 58 N -1.59 4.06 -0.37 3.54 2.20 -1.13 -4.80 119.74 121.64 1jol s LYS 58 Ca -0.14 0.78 -0.20 0.00 -0.36 0.00 0.00 55.97 56.05 1jol s LYS 58 Cb -0.09 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1jol s LYS 58 CO -0.01 -0.65 0.61 -0.80 -0.36 0.00 0.00 175.35 174.14 1jol s ASN 59 N 1.52 6.38 -0.15 1.43 0.02 -1.26 -0.57 114.94 122.31 1jol s ASN 59 Ca 0.35 0.02 -0.00 0.00 -1.02 0.00 0.00 52.86 52.21 1jol s ASN 59 Cb -0.14 -2.31 -0.01 0.00 0.02 0.00 0.00 41.25 38.81 1jol s ASN 59 CO 0.11 -0.60 -0.13 -0.63 0.02 0.00 0.00 177.10 175.87 1jol s ILE 60 N 2.65 2.93 -0.18 0.60 1.01 -0.47 -0.79 121.20 126.94 1jol s ILE 60 Ca 0.23 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 1jol s ILE 60 Cb -0.15 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1jol s ILE 60 CO 0.15 0.51 -0.04 -0.63 0.00 0.00 0.00 174.94 174.93 1jol s ILE 61 N 0.63 3.62 -0.34 2.92 -1.09 0.14 -1.82 121.20 125.26 1jol s ILE 61 Ca -0.07 -0.43 -0.13 0.00 -2.23 0.00 0.00 60.65 57.79 1jol s ILE 61 Cb -0.16 -2.61 -0.01 0.00 -1.58 0.00 0.00 42.46 38.10 1jol s ILE 61 CO 0.03 0.46 0.24 -0.22 -1.23 0.00 0.00 174.94 174.21 1jol s LEU 62 N 0.90 4.53 0.16 2.97 0.20 -0.09 -0.83 118.68 126.53 1jol s LEU 62 Ca -0.01 -0.46 -0.23 0.00 0.69 0.00 0.00 54.13 54.12 1jol s LEU 62 Cb -0.15 -2.13 0.06 0.00 -0.43 0.00 0.00 46.19 43.55 1jol s LEU 62 CO 0.01 -0.25 0.68 -0.55 -0.29 0.00 0.00 176.35 175.95 1jol s SER 63 N 1.71 -0.46 0.02 3.68 0.15 -0.77 -3.69 113.70 114.34 1jol s SER 63 Ca 0.06 -0.14 0.22 0.00 0.70 0.00 0.00 55.95 56.79 1jol s SER 63 Cb -0.17 0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1jol s SER 63 CO 0.10 -1.00 0.99 -1.54 1.20 0.00 0.00 173.24 173.00 1jol n SER 64 N -0.38 0.68 -4.94 5.45 3.41 -1.26 -4.05 113.62 112.53 1jol n SER 64 Ca -0.13 -0.50 -0.24 0.00 -0.26 0.00 0.00 58.87 57.75 1jol n SER 64 Cb 0.63 0.89 -0.00 0.00 -0.26 0.00 0.00 64.21 65.47 1jol n SER 64 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1jol s GLN 65 N -3.12 3.37 0.26 4.33 -1.52 -1.26 -5.02 119.66 116.71 1jol s GLN 65 Ca 0.05 -0.35 -0.31 0.00 -1.95 0.00 0.00 55.36 52.81 1jol s GLN 65 Cb 0.15 -2.62 -0.13 0.00 -0.22 0.00 0.00 33.01 30.20 1jol s GLN 65 CO 0.82 0.01 1.48 -2.30 -0.25 0.00 0.00 175.29 175.05 1jol n PRO 66 N -1.90 2.30 -2.81 2.91 -0.01 -1.26 -4.91 135.00 129.33 1jol n PRO 66 Ca -0.03 0.82 -0.42 0.00 -0.01 0.00 0.00 63.50 63.87 1jol n PRO 66 Cb 0.57 -2.52 -0.03 0.00 -0.01 0.00 0.00 33.50 31.50 1jol n PRO 66 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1jol s GLY 67 N 0.36 2.47 0.00 -1.23 0.00 -1.26 -5.00 107.32 102.66 1jol s GLY 67 Ca 0.66 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1jol s GLY 67 CO 0.49 1.67 0.00 2.41 0.00 0.00 0.00 173.10 177.67 1jol n THR 68 N 4.31 0.00 -1.52 0.90 -1.04 -1.26 -4.91 114.28 110.76 1jol n THR 68 Ca 0.05 0.15 -0.55 0.00 -2.04 0.00 0.00 64.05 61.67 1jol n THR 68 Cb 0.50 -1.11 -0.06 0.00 -1.82 0.00 0.00 70.33 67.83 1jol n THR 68 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1jol n ASP 69 N 0.00 0.37 -0.19 8.00 -0.08 -1.26 -4.98 116.55 118.41 1jol n ASP 69 Ca 0.00 1.15 0.14 0.00 -1.51 0.00 0.00 54.79 54.56 1jol n ASP 69 Cb 0.00 -1.02 0.54 0.00 2.34 0.00 0.00 41.12 42.98 1jol n ASP 69 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1jol n ASP 70 N 1.84 0.74 -0.07 1.67 5.68 -1.26 -3.68 116.55 121.47 1jol n ASP 70 Ca 0.19 -0.79 0.14 0.00 -0.50 0.00 0.00 54.79 53.82 1jol n ASP 70 Cb 0.14 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 40.71 1jol n ASP 70 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jol n ARG 71 N -0.74 0.47 -4.52 0.11 1.74 -1.26 -4.86 116.66 107.61 1jol n ARG 71 Ca 0.15 -0.15 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1jol n ARG 71 Cb 0.30 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.14 1jol n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jol s VAL 72 N -2.63 2.15 -0.15 1.55 -7.23 -1.24 -4.86 120.40 107.99 1jol s VAL 72 Ca 0.24 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.35 1jol s VAL 72 Cb 0.20 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1jol s VAL 72 CO 0.51 -0.07 0.01 -0.89 -0.31 0.00 0.00 175.10 174.35 1jol s THR 73 N -2.65 4.36 -0.21 5.32 2.01 0.03 -4.99 115.64 119.50 1jol s THR 73 Ca 0.35 -0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 1jol s THR 73 Cb 0.06 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1jol s THR 73 CO 0.18 0.51 0.01 0.26 -0.69 0.00 0.00 174.62 174.89 1jol s TRP 74 N 0.05 3.03 0.23 4.92 0.52 -1.26 0.28 118.94 126.71 1jol s TRP 74 Ca 0.03 -0.54 0.11 0.00 0.02 0.00 0.00 56.10 55.72 1jol s TRP 74 Cb -0.13 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.03 1jol s TRP 74 CO 0.02 -0.32 -0.21 0.14 0.02 0.00 0.00 176.95 176.60 1jol s VAL 75 N 1.21 2.30 -0.39 4.03 -7.23 -0.01 -4.95 120.40 115.35 1jol s VAL 75 Ca 0.03 -2.22 0.12 0.00 -1.81 0.00 0.00 61.98 58.09 1jol s VAL 75 Cb -0.15 -2.17 -0.14 0.00 0.56 0.00 0.00 36.38 34.48 1jol s VAL 75 CO 0.01 -0.32 0.42 2.29 -0.31 0.00 0.00 175.10 177.19 1jol n LYS 76 N -0.23 2.39 -3.96 4.82 0.00 -1.26 -1.85 118.16 118.08 1jol n LYS 76 Ca -0.08 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.31 58.11 1jol n LYS 76 Cb 0.58 -1.11 -0.08 0.00 -0.00 0.00 0.00 35.03 34.42 1jol n LYS 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1jol s SER 77 N -2.45 0.25 0.18 -5.58 1.04 -1.26 -4.75 113.70 101.13 1jol s SER 77 Ca 0.02 -0.81 -0.13 0.00 0.48 0.00 0.00 55.95 55.50 1jol s SER 77 Cb 0.08 0.30 0.15 0.00 0.10 0.00 0.00 66.02 66.65 1jol s SER 77 CO 0.48 -0.70 1.75 0.58 0.98 0.00 0.00 173.24 176.34 1jol h VAL 78 N 2.88 0.86 -0.49 5.02 2.07 -1.99 0.38 116.25 124.99 1jol h VAL 78 Ca -0.34 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1jol h VAL 78 Cb 1.18 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1jol h VAL 78 CO 0.59 0.07 0.01 0.44 0.02 0.00 0.00 177.57 178.70 1jol h ASP 79 N 0.37 0.77 -0.15 0.57 3.32 -1.99 0.66 116.42 119.95 1jol h ASP 79 Ca 0.23 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1jol h ASP 79 Cb 0.22 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1jol h ASP 79 CO -0.22 0.83 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.55 1jol h GLU 80 N 0.75 0.61 -0.04 3.56 5.08 -1.45 -2.03 114.58 121.06 1jol h GLU 80 Ca 0.15 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1jol h GLU 80 Cb 0.44 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1jol h GLU 80 CO 0.02 0.80 0.02 0.00 -1.00 0.00 0.00 179.01 178.85 1jol h ALA 81 N 1.20 0.05 -0.53 3.43 0.00 0.36 -1.75 119.26 122.03 1jol h ALA 81 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jol h ALA 81 Cb 0.71 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1jol h ALA 81 CO 0.05 -0.42 0.29 0.82 0.00 0.00 0.00 179.25 180.00 1jol h ILE 82 N -0.02 1.01 -0.40 0.00 2.04 -0.69 -2.16 117.51 117.29 1jol h ILE 82 Ca 0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1jol h ILE 82 Cb 0.07 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1jol h ILE 82 CO -0.00 0.10 0.22 0.00 0.00 0.00 0.00 178.15 178.47 1jol h ALA 83 N 1.26 1.63 0.00 1.87 0.00 -1.18 -1.66 119.26 121.18 1jol h ALA 83 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jol h ALA 83 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1jol h ALA 83 CO -0.13 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1jol h ALA 84 N 1.69 1.00 0.00 0.00 0.00 -0.65 -1.00 119.26 120.30 1jol h ALA 84 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1jol h ALA 84 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1jol h ALA 84 CO -0.02 0.00 -0.68 0.00 0.00 0.00 0.00 179.25 178.54 1jol n GLY 86 N 1.05 -0.60 3.44 0.00 0.00 -0.38 -4.57 105.19 104.11 1jol n GLY 86 Ca 0.01 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.47 1jol n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jol s ASP 87 N -4.00 6.38 0.17 1.61 1.01 -1.26 -4.99 116.67 115.59 1jol s ASP 87 Ca 0.00 -1.55 0.05 0.00 0.71 0.00 0.00 52.55 51.76 1jol s ASP 87 Cb 0.00 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1jol s ASP 87 CO 0.00 -1.21 -0.10 0.68 0.21 0.00 0.00 175.17 174.76 1jol s VAL 88 N 3.15 1.26 0.26 -1.27 -7.23 -1.26 -5.05 120.40 110.26 1jol s VAL 88 Ca 0.25 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 1jol s VAL 88 Cb -0.13 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1jol s VAL 88 CO 0.01 -0.68 1.61 -0.65 -0.31 0.00 0.00 175.10 175.08 1jol h PRO 89 N 2.71 0.23 -2.93 4.82 0.11 -1.94 -3.41 132.00 131.60 1jol h PRO 89 Ca -0.37 -0.14 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 1jol h PRO 89 Cb 1.20 0.01 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 1jol h PRO 89 CO 0.63 0.71 -0.45 -2.00 -0.21 0.00 0.00 178.00 176.68 1jol s GLU 90 N -3.89 0.24 -0.17 1.05 2.12 -1.26 -1.46 118.70 115.33 1jol s GLU 90 Ca -0.04 0.61 -0.08 0.00 0.36 0.00 0.00 54.97 55.82 1jol s GLU 90 Cb 0.12 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1jol s GLU 90 CO 0.79 -0.18 0.10 0.42 -0.54 0.00 0.00 175.26 175.85 1jol s ILE 91 N 1.43 5.15 -0.22 -3.70 1.01 -0.26 -4.47 121.20 120.14 1jol s ILE 91 Ca -0.08 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.58 1jol s ILE 91 Cb -0.10 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1jol s ILE 91 CO -0.09 0.50 0.08 -0.04 0.00 0.00 0.00 174.94 175.38 1jol s MET 92 N -0.06 3.84 -0.29 2.79 -1.94 -0.34 -0.91 119.30 122.38 1jol s MET 92 Ca 0.08 -0.40 -0.14 0.00 -1.71 0.00 0.00 55.69 53.52 1jol s MET 92 Cb -0.12 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 1jol s MET 92 CO 0.00 0.05 0.34 0.08 -0.01 0.00 0.00 175.02 175.49 1jol s VAL 93 N 0.98 5.19 -1.75 -6.03 1.01 0.69 -1.23 120.40 119.27 1jol s VAL 93 Ca 0.04 0.34 0.19 0.00 0.00 0.00 0.00 61.98 62.55 1jol s VAL 93 Cb -0.14 -3.71 0.51 0.00 0.00 0.00 0.00 36.38 33.04 1jol s VAL 93 CO 0.03 0.09 1.42 2.30 0.00 0.00 0.00 175.10 178.94 1jol n ILE 94 N 5.15 0.90 -0.07 2.22 -5.35 0.16 -2.09 119.36 120.28 1jol n ILE 94 Ca -0.10 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 1jol n ILE 94 Cb 0.50 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 1jol n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jol n GLY 95 N 1.30 -3.80 0.00 3.28 0.00 -1.25 -4.93 105.19 99.80 1jol n GLY 95 Ca 0.20 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1jol n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jol n GLY 96 N -0.10 0.72 0.30 -0.02 0.00 -1.26 0.17 105.19 105.00 1jol n GLY 96 Ca 0.00 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 1jol n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jol h GLY 97 N 0.00 -1.37 1.14 -0.02 0.00 -1.91 0.68 103.07 101.58 1jol h GLY 97 Ca 0.00 0.87 0.01 0.00 0.00 0.00 0.00 47.33 48.22 1jol h GLY 97 CO 0.00 -0.28 0.57 3.21 0.00 0.00 0.00 176.54 180.05 1jol h ARG 98 N -0.07 1.13 -0.42 4.80 2.47 -1.96 -0.26 114.38 120.07 1jol h ARG 98 Ca 0.10 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 1jol h ARG 98 Cb 0.32 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1jol h ARG 98 CO -0.61 0.75 0.11 0.28 0.56 0.00 0.00 179.97 181.06 1jol h VAL 99 N 1.16 1.23 -0.84 2.04 2.07 -1.40 -1.71 116.25 118.79 1jol h VAL 99 Ca 0.32 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1jol h VAL 99 Cb -0.12 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1jol h VAL 99 CO -0.07 0.27 0.43 1.88 0.02 0.00 0.00 177.57 180.10 1jol h TYR 100 N 0.54 1.19 -0.72 1.57 0.05 0.12 -2.06 116.97 117.66 1jol h TYR 100 Ca 0.13 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.91 1jol h TYR 100 Cb 0.30 -0.37 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 1jol h TYR 100 CO 0.02 0.84 0.44 0.93 -1.05 0.00 0.00 178.16 179.34 1jol h GLU 101 N 1.19 0.81 -0.24 4.88 5.08 -0.69 0.11 114.58 125.72 1jol h GLU 101 Ca 0.29 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1jol h GLU 101 Cb 0.08 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1jol h GLU 101 CO -0.04 0.54 -0.24 1.96 -1.00 0.00 0.00 179.01 180.22 1jol h GLN 102 N 0.83 0.45 0.00 2.33 4.20 -0.97 -3.24 115.11 118.71 1jol h GLN 102 Ca 0.30 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1jol h GLN 102 Cb 0.09 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1jol h GLN 102 CO -0.14 0.66 -1.45 1.19 -0.67 0.00 0.00 178.83 178.42 1jol n PHE 103 N -4.13 0.13 -0.22 2.96 3.72 -0.80 -4.58 117.46 114.54 1jol n PHE 103 Ca -0.00 0.04 -0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1jol n PHE 103 Cb 0.39 -0.39 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1jol n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1jol h LEU 104 N 0.00 -0.89 -2.23 4.37 5.85 -0.84 -0.06 115.31 121.51 1jol h LEU 104 Ca 0.00 0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1jol h LEU 104 Cb 0.81 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1jol h LEU 104 CO 0.00 -0.27 0.18 -0.65 -0.34 0.00 0.00 178.44 177.36 1jol h PRO 105 N -0.08 0.00 -0.01 5.25 0.11 -1.81 0.18 132.00 135.65 1jol h PRO 105 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1jol h PRO 105 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1jol h PRO 105 CO -0.70 0.00 -0.48 1.63 -0.21 0.00 0.00 178.00 178.23 1jol n LYS 106 N -3.87 0.49 -2.83 1.05 5.02 -0.08 -4.97 118.16 112.96 1jol n LYS 106 Ca 0.01 -0.33 -0.38 0.00 -2.02 0.00 0.00 58.31 55.59 1jol n LYS 106 Cb 0.30 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 1jol n LYS 106 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jol s ALA 107 N -2.74 3.30 -0.57 7.82 0.00 0.05 -4.50 121.76 125.11 1jol s ALA 107 Ca 0.17 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.70 1jol s ALA 107 Cb 0.18 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1jol s ALA 107 CO 0.64 0.22 0.46 0.00 0.00 0.00 0.00 175.76 177.07 1jol n GLN 108 N 0.98 3.34 -3.89 0.00 10.64 -0.43 -4.82 117.38 123.20 1jol n GLN 108 Ca -0.01 -0.25 -0.11 0.00 -1.83 0.00 0.00 57.00 54.81 1jol n GLN 108 Cb 0.49 -0.96 -0.12 0.00 -0.86 0.00 0.00 30.24 28.80 1jol n GLN 108 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1jol s LYS 109 N -1.55 0.28 -0.07 2.61 2.20 -1.16 -1.33 119.74 120.72 1jol s LYS 109 Ca 0.05 -0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 1jol s LYS 109 Cb 0.07 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1jol s LYS 109 CO 0.29 -0.05 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.64 1jol s LEU 110 N -0.84 1.29 -0.30 5.43 1.43 0.00 -1.98 118.68 123.71 1jol s LEU 110 Ca -0.09 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1jol s LEU 110 Cb -0.06 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.53 1jol s LEU 110 CO 0.00 -0.06 0.05 -0.31 0.23 0.00 0.00 176.35 176.25 1jol s TYR 111 N 1.19 3.17 0.07 0.29 1.51 -0.26 -0.99 117.35 122.32 1jol s TYR 111 Ca -0.06 -1.30 0.09 0.00 -1.01 0.00 0.00 57.07 54.80 1jol s TYR 111 Cb -0.14 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.48 1jol s TYR 111 CO -0.02 -0.67 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.00 1jol s LEU 112 N 1.41 2.22 -0.23 -1.29 1.43 0.77 -1.81 118.68 121.19 1jol s LEU 112 Ca 0.00 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1jol s LEU 112 Cb -0.18 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 44.92 1jol s LEU 112 CO 0.01 0.20 -0.15 -0.89 0.23 0.00 0.00 176.35 175.75 1jol s THR 113 N -0.90 2.12 -0.30 5.49 2.01 -0.09 -0.32 115.64 123.64 1jol s THR 113 Ca 0.11 -1.35 -0.17 0.00 0.31 0.00 0.00 61.69 60.59 1jol s THR 113 Cb -0.10 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1jol s THR 113 CO 0.03 0.21 0.45 -1.00 -0.69 0.00 0.00 174.62 173.62 1jol s HIS 114 N 1.18 3.22 -0.15 4.92 0.09 0.18 0.04 115.29 124.77 1jol s HIS 114 Ca -0.03 0.32 -0.04 0.00 -0.00 0.00 0.00 55.06 55.31 1jol s HIS 114 Cb -0.17 -2.74 -0.03 0.00 -0.00 0.00 0.00 32.58 29.64 1jol s HIS 114 CO -0.08 -0.37 -0.01 0.42 -0.00 0.00 0.00 174.74 174.70 1jol s ILE 115 N 2.22 4.18 -1.48 0.60 1.01 0.52 -0.18 121.20 128.08 1jol s ILE 115 Ca 0.17 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.44 1jol s ILE 115 Cb -0.16 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.50 1jol s ILE 115 CO 0.11 0.50 2.39 0.47 0.00 0.00 0.00 174.94 178.42 1jol n ASP 116 N 3.30 5.53 -3.88 3.58 8.00 -0.75 -3.31 116.55 129.01 1jol n ASP 116 Ca -0.17 -2.81 -0.18 0.00 0.71 0.00 0.00 54.79 52.34 1jol n ASP 116 Cb 0.53 -1.60 -0.16 0.00 -0.02 0.00 0.00 41.12 39.87 1jol n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jol s ALA 117 N 2.39 0.47 -0.29 2.24 0.00 -1.26 -4.64 121.76 120.66 1jol s ALA 117 Ca 0.53 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 1jol s ALA 117 Cb 0.15 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1jol s ALA 117 CO -0.07 0.00 0.19 -1.21 0.00 0.00 0.00 175.76 174.67 1jol s GLU 118 N 0.64 3.79 -0.03 0.00 2.02 -1.26 -1.77 118.70 122.08 1jol s GLU 118 Ca -0.07 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 54.54 1jol s GLU 118 Cb -0.11 -3.65 -0.01 0.00 0.10 0.00 0.00 34.13 30.46 1jol s GLU 118 CO -0.01 -0.25 -0.19 0.08 0.02 0.00 0.00 175.26 174.91 1jol s VAL 119 N 1.73 1.54 -0.11 2.63 1.01 -1.26 -5.03 120.40 120.91 1jol s VAL 119 Ca 0.07 -0.81 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1jol s VAL 119 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1jol s VAL 119 CO 0.10 0.44 0.69 -1.83 0.00 0.00 0.00 175.10 174.50 1jol s GLU 120 N -0.25 4.37 0.26 2.72 -1.05 -1.26 -4.95 118.70 118.54 1jol s GLU 120 Ca 0.02 0.83 -0.20 0.00 -0.15 0.00 0.00 54.97 55.47 1jol s GLU 120 Cb -0.09 -3.49 0.02 0.00 -0.44 0.00 0.00 34.13 30.13 1jol s GLU 120 CO 0.01 -0.04 0.67 0.20 0.95 0.00 0.00 175.26 177.05 1jol s GLY 121 N 0.91 -0.07 -0.13 -3.83 0.00 -1.26 -5.07 107.32 97.87 1jol s GLY 121 Ca 0.35 -0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 1jol s GLY 121 CO 0.15 -0.13 0.43 -0.55 0.00 0.00 0.00 173.10 173.00 1jol h ASP 122 N 2.04 0.30 -3.57 1.64 3.32 -1.96 -3.48 116.42 114.70 1jol h ASP 122 Ca -0.22 -0.80 -0.52 0.00 0.02 0.00 0.00 57.03 55.51 1jol h ASP 122 Cb 1.26 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1jol h ASP 122 CO 0.26 1.65 0.14 -0.89 -1.72 0.00 0.00 179.24 178.68 1jol s THR 123 N -2.47 4.50 0.14 0.35 2.01 -1.26 -5.03 115.64 113.88 1jol s THR 123 Ca -0.23 1.42 0.09 0.00 0.31 0.00 0.00 61.69 63.28 1jol s THR 123 Cb 0.05 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1jol s THR 123 CO 0.72 0.29 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.74 1jol s HIS 124 N -1.43 1.86 0.53 4.92 3.76 -1.26 -1.33 115.29 122.33 1jol s HIS 124 Ca 0.41 -0.44 -0.21 0.00 -0.15 0.00 0.00 55.06 54.68 1jol s HIS 124 Cb -0.18 -0.96 -0.05 0.00 1.11 0.00 0.00 32.58 32.49 1jol s HIS 124 CO 0.22 0.30 1.21 0.12 -0.85 0.00 0.00 174.74 175.74 1jol s PHE 125 N -1.68 2.58 0.67 1.40 5.36 0.78 -4.82 117.98 122.26 1jol s PHE 125 Ca 0.13 1.50 -0.17 0.00 -0.96 0.00 0.00 56.93 57.43 1jol s PHE 125 Cb -0.07 -3.47 -0.01 0.00 -0.34 0.00 0.00 43.02 39.12 1jol s PHE 125 CO 0.06 -1.99 1.04 -2.30 -1.46 0.00 0.00 175.22 170.57 1jol n PRO 126 N -1.09 0.77 -2.04 10.12 -0.02 -1.26 -4.87 135.00 136.60 1jol n PRO 126 Ca 0.11 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 1jol n PRO 126 Cb 0.49 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1jol n PRO 126 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1jol s ASP 127 N -1.46 6.43 -0.03 2.55 2.15 -1.26 -4.99 116.67 120.07 1jol s ASP 127 Ca 0.77 1.87 0.03 0.00 0.43 0.00 0.00 52.55 55.65 1jol s ASP 127 Cb -0.38 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.68 1jol s ASP 127 CO 0.46 -1.17 -0.10 -0.72 -0.17 0.00 0.00 175.17 173.47 1jol s TYR 128 N 4.95 2.81 -1.11 -5.34 1.13 -1.26 -5.05 117.35 113.48 1jol s TYR 128 Ca 0.74 -0.08 -0.05 0.00 -1.41 0.00 0.00 57.07 56.27 1jol s TYR 128 Cb -0.29 -1.62 0.28 0.00 -1.10 0.00 0.00 41.96 39.23 1jol s TYR 128 CO 0.30 0.30 1.54 -1.91 -2.51 0.00 0.00 175.55 173.26 1jol n GLU 129 N 1.94 4.32 0.00 -3.49 4.07 -1.26 -4.95 120.64 121.28 1jol n GLU 129 Ca -0.17 -4.38 0.00 0.00 -0.06 0.00 0.00 57.16 52.55 1jol n GLU 129 Cb 0.52 -2.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 1jol n GLU 129 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1jol n PRO 130 N 1.79 0.00 -0.22 5.31 -0.02 -1.26 -0.49 135.00 140.10 1jol n PRO 130 Ca 0.28 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.70 1jol n PRO 130 Cb 0.34 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.86 1jol n PRO 130 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1jol h ASP 131 N 0.00 0.76 -0.02 2.55 3.45 -2.01 -0.06 116.42 121.08 1jol h ASP 131 Ca 0.00 -0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1jol h ASP 131 Cb 0.00 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 1jol h ASP 131 CO 0.00 0.60 0.00 0.47 -1.57 0.00 0.00 179.24 178.74 1jol n ASP 132 N -4.59 0.71 -3.69 6.45 9.92 0.35 -4.66 116.55 121.04 1jol n ASP 132 Ca 0.05 -2.02 -0.13 0.00 -0.53 0.00 0.00 54.79 52.16 1jol n ASP 132 Cb 0.06 -0.30 -0.13 0.00 -0.64 0.00 0.00 41.12 40.11 1jol n ASP 132 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1jol s TRP 133 N -1.44 -0.39 -0.14 1.24 0.52 -0.04 -2.44 118.94 116.25 1jol s TRP 133 Ca 0.02 0.91 -0.12 0.00 0.02 0.00 0.00 56.10 56.92 1jol s TRP 133 Cb 0.01 0.01 -0.05 0.00 -1.15 0.00 0.00 33.47 32.29 1jol s TRP 133 CO 0.01 -0.31 0.26 -1.83 0.02 0.00 0.00 176.95 175.10 1jol s GLU 134 N 1.92 4.06 -0.13 4.98 -1.05 0.16 -4.71 118.70 123.93 1jol s GLU 134 Ca -0.03 0.05 -0.29 0.00 -0.15 0.00 0.00 54.97 54.55 1jol s GLU 134 Cb -0.11 -3.36 -0.02 0.00 -0.44 0.00 0.00 34.13 30.21 1jol s GLU 134 CO -0.09 0.40 1.19 0.45 0.95 0.00 0.00 175.26 178.16 1jol s SER 135 N -0.02 7.03 0.00 0.83 0.15 -1.26 -1.62 113.70 118.81 1jol s SER 135 Ca 0.16 1.67 0.05 0.00 0.70 0.00 0.00 55.95 58.53 1jol s SER 135 Cb -0.13 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.75 1jol s SER 135 CO 0.04 -0.66 1.04 1.33 1.20 0.00 0.00 173.24 176.19 1jol n VAL 136 N 5.05 0.83 -3.65 4.45 0.24 0.02 -4.99 118.33 120.29 1jol n VAL 136 Ca 0.12 -0.91 -0.01 0.00 -2.04 0.00 0.00 64.34 61.50 1jol n VAL 136 Cb 0.46 0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 33.37 1jol n VAL 136 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1jol s PHE 137 N -0.90 -0.33 -0.14 6.34 5.36 -1.16 -4.90 117.98 122.25 1jol s PHE 137 Ca 0.10 0.68 -0.08 0.00 -0.96 0.00 0.00 56.93 56.66 1jol s PHE 137 Cb 0.05 0.24 0.05 0.00 -0.34 0.00 0.00 43.02 43.02 1jol s PHE 137 CO 0.07 -0.16 0.33 0.45 -1.46 0.00 0.00 175.22 174.45 1jol s SER 138 N 1.03 -0.39 -0.24 6.13 0.15 -1.26 -1.21 113.70 117.92 1jol s SER 138 Ca -0.06 0.71 -0.06 0.00 0.70 0.00 0.00 55.95 57.24 1jol s SER 138 Cb -0.03 0.61 0.12 0.00 -1.71 0.00 0.00 66.02 65.01 1jol s SER 138 CO -0.12 -0.17 0.47 -0.70 1.20 0.00 0.00 173.24 173.91 1jol s GLU 139 N 1.14 0.40 0.16 5.44 2.12 -0.41 -4.96 118.70 122.59 1jol s GLU 139 Ca -0.08 0.98 -0.13 0.00 0.36 0.00 0.00 54.97 56.10 1jol s GLU 139 Cb -0.08 0.25 -0.07 0.00 0.26 0.00 0.00 34.13 34.49 1jol s GLU 139 CO -0.09 -0.38 0.55 0.12 -0.54 0.00 0.00 175.26 174.93 1jol s PHE 140 N 2.67 3.57 -0.01 5.30 2.19 -1.26 -1.05 117.98 129.40 1jol s PHE 140 Ca 0.04 1.03 0.00 0.00 0.33 0.00 0.00 56.93 58.32 1jol s PHE 140 Cb -0.13 -2.35 0.01 0.00 -1.31 0.00 0.00 43.02 39.24 1jol s PHE 140 CO -0.15 0.40 0.01 -1.01 1.83 0.00 0.00 175.22 176.29 1jol s HIS 141 N -1.53 0.03 0.69 10.12 3.76 0.33 -4.99 115.29 123.69 1jol s HIS 141 Ca 0.40 0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 55.22 1jol s HIS 141 Cb -0.14 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.48 1jol s HIS 141 CO 0.19 -0.03 1.08 -0.51 -0.85 0.00 0.00 174.74 174.63 1jol s ASP 142 N 0.29 5.56 0.58 1.40 1.01 -1.26 -1.25 116.67 122.99 1jol s ASP 142 Ca -0.02 1.26 -0.17 0.00 0.71 0.00 0.00 52.55 54.33 1jol s ASP 142 Cb -0.04 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1jol s ASP 142 CO -0.01 -1.28 1.07 0.00 0.21 0.00 0.00 175.17 175.16 1jol s ALA 143 N -3.27 2.72 0.00 5.23 0.00 -1.25 -4.75 121.76 120.43 1jol s ALA 143 Ca 0.58 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1jol s ALA 143 Cb -0.12 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1jol s ALA 143 CO 0.53 -0.79 0.00 -0.40 0.00 0.00 0.00 175.76 175.09 1jol n ASP 144 N -1.84 0.00 0.27 0.00 5.68 -0.25 -4.96 116.55 115.45 1jol n ASP 144 Ca 0.09 -0.51 0.18 0.00 -0.50 0.00 0.00 54.79 54.05 1jol n ASP 144 Cb 0.52 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.33 1jol n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jol h ALA 145 N 1.37 1.00 0.00 2.12 0.00 -2.01 -3.05 119.26 118.69 1jol h ALA 145 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1jol h ALA 145 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1jol h ALA 145 CO 0.00 0.00 -2.00 1.04 0.00 0.00 0.00 179.25 178.29 1jol n GLN 146 N -2.92 1.10 -4.00 0.00 3.00 -1.26 -4.95 117.38 108.35 1jol n GLN 146 Ca -0.01 -0.06 -0.35 0.00 -0.01 0.00 0.00 57.00 56.58 1jol n GLN 146 Cb 0.20 -1.41 -0.14 0.00 0.00 0.00 0.00 30.24 28.89 1jol n GLN 146 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1jol s ASN 147 N -4.66 4.31 0.51 1.08 0.01 -1.15 -4.37 114.94 110.67 1jol s ASN 147 Ca -0.07 -0.37 0.18 0.00 -0.71 0.00 0.00 52.86 51.88 1jol s ASN 147 Cb 0.07 -1.73 1.27 0.00 0.41 0.00 0.00 41.25 41.26 1jol s ASN 147 CO 0.68 0.01 2.10 0.77 -1.51 0.00 0.00 177.10 179.15 1jol h SER 148 N 7.92 0.04 -5.52 -1.22 4.64 -1.05 -0.65 113.55 117.72 1jol h SER 148 Ca -0.40 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.71 1jol h SER 148 Cb 1.17 -0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 63.11 1jol h SER 148 CO 0.60 0.03 -0.48 -1.00 -0.87 0.00 0.00 176.83 175.11 1jol s HIS 149 N -5.10 0.99 0.48 4.77 3.76 -1.26 -4.89 115.29 114.05 1jol s HIS 149 Ca -0.05 -1.23 -0.21 0.00 -0.15 0.00 0.00 55.06 53.41 1jol s HIS 149 Cb 0.18 -0.37 -0.08 0.00 1.11 0.00 0.00 32.58 33.41 1jol s HIS 149 CO 0.69 -0.75 1.05 -1.12 -0.85 0.00 0.00 174.74 173.76 1jol s SER 150 N -3.14 6.35 0.00 1.40 0.01 -1.26 -3.94 113.70 113.12 1jol s SER 150 Ca 0.35 1.98 -0.15 0.00 1.31 0.00 0.00 55.95 59.44 1jol s SER 150 Cb 0.05 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.73 1jol s SER 150 CO 0.12 -0.78 0.32 -0.72 0.41 0.00 0.00 173.24 172.60 1jol s TYR 151 N -1.90 -0.18 -0.09 2.43 1.13 -0.38 -1.81 117.35 116.55 1jol s TYR 151 Ca 0.66 0.20 -0.01 0.00 -1.41 0.00 0.00 57.07 56.52 1jol s TYR 151 Cb -0.18 0.11 0.03 0.00 -1.10 0.00 0.00 41.96 40.81 1jol s TYR 151 CO 0.22 -0.44 -0.04 0.00 -2.51 0.00 0.00 175.55 172.78 1jol s PHE 153 N 1.82 3.61 -0.08 0.00 0.08 -0.21 -0.65 117.98 122.55 1jol s PHE 153 Ca 0.05 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.42 1jol s PHE 153 Cb -0.12 -2.67 0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1jol s PHE 153 CO -0.07 0.27 0.31 -2.00 -0.10 0.00 0.00 175.22 173.63 1jol s GLU 154 N -2.15 0.48 -0.05 0.44 2.12 0.56 -1.28 118.70 118.82 1jol s GLU 154 Ca 0.46 0.20 0.04 0.00 0.36 0.00 0.00 54.97 56.04 1jol s GLU 154 Cb -0.16 0.22 -0.00 0.00 0.26 0.00 0.00 34.13 34.45 1jol s GLU 154 CO 0.21 -0.09 -0.18 0.42 -0.54 0.00 0.00 175.26 175.07 1jol s ILE 155 N -0.39 1.50 -0.01 -3.70 1.01 -0.35 -0.16 121.20 119.11 1jol s ILE 155 Ca -0.05 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1jol s ILE 155 Cb -0.03 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1jol s ILE 155 CO 0.02 0.43 -0.24 -0.76 0.00 0.00 0.00 174.94 174.39 1jol s LEU 156 N 0.08 2.06 -0.10 2.97 1.02 -0.17 -0.80 118.68 123.75 1jol s LEU 156 Ca -0.05 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 53.67 1jol s LEU 156 Cb -0.12 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.85 1jol s LEU 156 CO 0.03 0.28 -0.17 -1.61 0.02 0.00 0.00 176.35 174.90 1jol s GLU 157 N -0.65 3.00 -0.04 1.70 2.02 -0.64 -0.81 118.70 123.28 1jol s GLU 157 Ca 0.09 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 54.02 1jol s GLU 157 Cb -0.09 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1jol s GLU 157 CO -0.01 0.32 1.26 0.50 0.02 0.00 0.00 175.26 177.35 1jol s ARG 158 N 0.04 4.33 0.00 1.61 3.52 -0.44 0.36 118.95 128.37 1jol s ARG 158 Ca -0.07 1.76 0.13 0.00 -0.13 0.00 0.00 55.73 57.42 1jol s ARG 158 Cb -0.15 -3.57 0.10 0.00 -1.56 0.00 0.00 34.95 29.78 1jol s ARG 158 CO 0.05 -0.49 0.92 2.89 -0.81 0.00 0.00 175.30 177.85