#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1too h PRO 2 N 0.00 -0.32 -5.84 0.00 0.11 -2.04 -3.40 132.00 120.51 1too h PRO 2 Ca 0.00 0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.46 1too h PRO 2 Cb 0.00 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 31.05 1too h PRO 2 CO 0.00 -0.21 -0.58 0.54 -0.21 0.00 0.00 178.00 177.53 1too s VAL 3 N -5.06 4.63 -0.00 3.15 0.11 -1.26 -4.86 120.40 117.11 1too s VAL 3 Ca -0.11 -0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 58.66 1too s VAL 3 Cb 0.06 -2.98 -0.06 0.00 -1.53 0.00 0.00 36.38 31.88 1too s VAL 3 CO 0.48 0.60 0.43 -0.13 -3.33 0.00 0.00 175.10 173.15 1too s ARG 4 N -0.84 4.00 0.06 1.54 0.52 -1.26 -4.99 118.95 117.98 1too s ARG 4 Ca 0.13 0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.79 1too s ARG 4 Cb -0.12 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 1too s ARG 4 CO 0.03 0.63 -0.03 -1.12 0.02 0.00 0.00 175.30 174.83 1too s SER 5 N -0.90 0.56 -0.04 0.23 0.01 -1.26 -1.77 113.70 110.53 1too s SER 5 Ca 0.25 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 56.43 1too s SER 5 Cb -0.17 0.19 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1too s SER 5 CO 0.14 -0.59 0.15 -1.48 0.41 0.00 0.00 173.24 171.86 1too s LEU 6 N -2.95 1.46 0.20 2.44 0.05 -0.59 -4.96 118.68 114.33 1too s LEU 6 Ca 0.09 0.13 -0.18 0.00 0.05 0.00 0.00 54.13 54.22 1too s LEU 6 Cb 0.08 0.58 -0.08 0.00 -2.05 0.00 0.00 46.19 44.72 1too s LEU 6 CO -0.08 -0.16 0.66 0.20 -0.55 0.00 0.00 176.35 176.41 1too s ASN 7 N -0.43 6.97 0.17 1.48 0.01 -1.26 -0.69 114.94 121.19 1too s ASN 7 Ca -0.05 1.29 -0.24 0.00 -0.71 0.00 0.00 52.86 53.15 1too s ASN 7 Cb -0.03 -2.37 0.06 0.00 0.41 0.00 0.00 41.25 39.31 1too s ASN 7 CO 0.01 0.06 0.80 0.00 -1.51 0.00 0.00 177.10 176.45 1too s THR 9 N -3.56 2.30 0.05 0.00 -4.23 -0.24 -0.31 115.64 109.65 1too s THR 9 Ca 0.09 -2.28 0.06 0.00 -1.18 0.00 0.00 61.69 58.39 1too s THR 9 Cb -0.03 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 1too s THR 9 CO -0.01 -0.37 -0.18 -0.76 -0.54 0.00 0.00 174.62 172.76 1too s LEU 10 N -3.26 2.19 -0.01 4.79 1.43 -1.26 -1.20 118.68 121.35 1too s LEU 10 Ca 0.26 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1too s LEU 10 Cb -0.05 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1too s LEU 10 CO 0.12 0.09 -0.02 -0.13 0.23 0.00 0.00 176.35 176.65 1too s ARG 11 N -1.28 0.17 0.98 1.70 0.52 -0.85 -4.18 118.95 116.02 1too s ARG 11 Ca 0.05 -0.04 -0.15 0.00 -0.52 0.00 0.00 55.73 55.06 1too s ARG 11 Cb -0.09 -0.21 0.19 0.00 0.52 0.00 0.00 34.95 35.36 1too s ARG 11 CO 0.02 0.01 1.21 0.16 0.02 0.00 0.00 175.30 176.72 1too s ASP 12 N 0.14 2.93 0.24 0.23 1.47 -0.85 -1.32 116.67 119.51 1too s ASP 12 Ca -0.01 0.61 0.19 0.00 1.18 0.00 0.00 52.55 54.52 1too s ASP 12 Cb -0.03 -0.91 0.93 0.00 -0.34 0.00 0.00 42.92 42.58 1too s ASP 12 CO -0.00 -2.88 1.57 -1.54 0.68 0.00 0.00 175.17 172.99 1too n SER 13 N -3.93 0.48 -1.61 2.11 3.41 -0.35 -0.62 113.62 113.11 1too n SER 13 Ca 0.11 0.69 0.09 0.00 -0.26 0.00 0.00 58.87 59.51 1too n SER 13 Cb 0.60 -0.76 0.36 0.00 -0.26 0.00 0.00 64.21 64.14 1too n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1too n GLN 14 N -2.11 3.75 -2.04 4.33 1.13 -1.26 -4.93 117.38 116.25 1too n GLN 14 Ca -0.00 -2.87 -0.16 0.00 -1.94 0.00 0.00 57.00 52.04 1too n GLN 14 Cb 0.08 -1.91 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 1too n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1too n GLN 15 N 1.14 -1.20 -3.20 -1.09 1.13 0.21 -5.00 117.38 109.38 1too n GLN 15 Ca 0.26 0.85 -0.39 0.00 -1.94 0.00 0.00 57.00 55.78 1too n GLN 15 Cb 0.90 -5.16 -0.06 0.00 0.11 0.00 0.00 30.24 26.03 1too n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1too s LYS 16 N -4.34 4.30 0.40 -1.09 1.02 -1.26 -4.62 119.74 114.16 1too s LYS 16 Ca 0.00 0.85 0.04 0.00 0.02 0.00 0.00 55.97 56.87 1too s LYS 16 Cb 0.00 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.06 1too s LYS 16 CO 0.00 0.62 0.57 -1.12 -0.92 0.00 0.00 175.35 174.50 1too s SER 17 N -1.11 5.87 -0.09 2.83 0.01 0.40 -2.01 113.70 119.60 1too s SER 17 Ca 0.31 0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 1too s SER 17 Cb -0.20 -1.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 1too s SER 17 CO 0.21 -0.59 -0.02 -0.76 0.41 0.00 0.00 173.24 172.49 1too s LEU 18 N -4.37 3.46 0.04 2.44 1.43 -1.26 -1.45 118.68 118.97 1too s LEU 18 Ca 0.47 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 1too s LEU 18 Cb -0.10 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1too s LEU 18 CO 0.34 0.36 -0.03 0.68 0.23 0.00 0.00 176.35 177.93 1too s VAL 19 N -0.76 0.19 0.12 -1.59 -7.23 -0.27 -0.80 120.40 110.06 1too s VAL 19 Ca 0.12 -1.53 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 1too s VAL 19 Cb -0.11 -1.14 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 1too s VAL 19 CO 0.02 -0.85 1.38 -0.04 -0.31 0.00 0.00 175.10 175.31 1too s MET 20 N -3.17 4.33 0.00 4.82 -1.94 -1.26 -0.76 119.30 121.31 1too s MET 20 Ca -0.00 2.07 0.00 0.00 -1.71 0.00 0.00 55.69 56.05 1too s MET 20 Cb 0.02 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.62 1too s MET 20 CO -0.07 -0.42 0.00 0.45 -0.01 0.00 0.00 175.02 174.97 1too n SER 21 N 3.85 0.00 -1.14 3.03 2.88 0.25 -4.82 113.62 117.68 1too n SER 21 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1too n SER 21 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1too n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1too n GLY 22 N 3.56 1.10 0.21 0.46 0.00 -1.24 -4.91 105.19 104.37 1too n GLY 22 Ca 0.00 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.28 1too n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1too h PRO 23 N 0.00 0.00 -0.28 1.61 0.13 -2.03 -3.30 132.00 128.13 1too h PRO 23 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1too h PRO 23 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 1too h PRO 23 CO 0.00 0.23 -0.80 0.66 -0.23 0.00 0.00 178.00 177.86 1too n TYR 24 N -3.32 0.97 -3.84 1.56 4.01 -1.26 -5.03 117.16 110.25 1too n TYR 24 Ca 0.01 -1.60 -0.12 0.00 -0.16 0.00 0.00 57.90 56.03 1too n TYR 24 Cb 0.47 -0.25 -0.12 0.00 -0.31 0.00 0.00 39.34 39.13 1too n TYR 24 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1too s GLU 25 N -2.76 0.26 -0.00 -0.72 2.12 -1.24 -3.95 118.70 112.41 1too s GLU 25 Ca 0.39 0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.77 1too s GLU 25 Cb 0.38 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 1too s GLU 25 CO -0.06 -0.05 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.01 1too s LEU 26 N -0.37 3.00 0.11 2.70 1.43 -1.26 0.88 118.68 125.16 1too s LEU 26 Ca -0.05 -0.20 0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1too s LEU 26 Cb -0.03 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1too s LEU 26 CO 0.01 0.29 -0.15 -0.54 0.23 0.00 0.00 176.35 176.18 1too s LYS 27 N -1.28 0.99 -0.07 1.70 1.02 0.06 -0.83 119.74 121.32 1too s LYS 27 Ca 0.15 -1.15 0.04 0.00 0.02 0.00 0.00 55.97 55.03 1too s LYS 27 Cb -0.11 -0.97 -0.02 0.00 -0.52 0.00 0.00 37.83 36.21 1too s LYS 27 CO 0.06 0.20 -0.18 0.00 -0.92 0.00 0.00 175.35 174.51 1too s ALA 28 N -1.73 2.47 0.13 5.17 0.00 -0.73 -1.11 121.76 125.96 1too s ALA 28 Ca 0.06 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 1too s ALA 28 Cb -0.07 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.21 1too s ALA 28 CO 0.03 0.45 0.56 -0.48 0.00 0.00 0.00 175.76 176.32 1too s LEU 29 N -0.32 -0.34 -0.28 0.00 0.05 -0.53 -1.15 118.68 116.11 1too s LEU 29 Ca 0.02 -0.00 -0.29 0.00 0.05 0.00 0.00 54.13 53.91 1too s LEU 29 Cb -0.13 2.41 -0.00 0.00 -2.05 0.00 0.00 46.19 46.42 1too s LEU 29 CO 0.02 -0.90 1.34 -1.00 -0.55 0.00 0.00 176.35 175.26 1too s HIS 30 N -3.49 2.62 0.11 3.48 3.76 -1.26 -0.46 115.29 120.05 1too s HIS 30 Ca 0.00 0.83 0.10 0.00 -0.15 0.00 0.00 55.06 55.84 1too s HIS 30 Cb -0.00 -3.89 -0.04 0.00 1.11 0.00 0.00 32.58 29.76 1too s HIS 30 CO -0.10 -1.87 -0.24 -1.17 -0.85 0.00 0.00 174.74 170.50 1too s LEU 31 N 4.42 2.30 -0.07 0.89 2.96 -1.26 -4.96 118.68 122.95 1too s LEU 31 Ca 0.58 -0.70 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 1too s LEU 31 Cb -0.18 -1.07 0.09 0.00 0.50 0.00 0.00 46.19 45.53 1too s LEU 31 CO 0.23 0.13 0.78 -1.58 -1.32 0.00 0.00 176.35 174.59 1too s GLN 32 N -1.91 0.92 3.36 1.98 0.74 -1.26 -4.91 119.66 118.58 1too s GLN 32 Ca 0.10 0.18 0.00 0.00 0.05 0.00 0.00 55.36 55.70 1too s GLN 32 Cb -0.10 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.44 1too s GLN 32 CO 0.05 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 1too n GLY 33 N 0.78 -0.14 0.31 2.59 0.00 -1.26 -3.83 105.19 103.64 1too n GLY 33 Ca -0.16 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1too n GLY 33 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1too h GLN 34 N 0.00 0.11 0.00 1.61 -0.00 -2.05 -1.42 115.11 113.37 1too h GLN 34 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1too h GLN 34 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.45 1too h GLN 34 CO 0.00 0.07 0.00 -0.44 -0.00 0.00 0.00 178.83 178.46 1too h ASP 35 N 0.12 0.00 -0.71 0.06 3.32 -1.99 -2.40 116.42 114.81 1too h ASP 35 Ca 0.13 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.32 1too h ASP 35 Cb 0.36 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1too h ASP 35 CO -0.01 0.00 0.48 -0.03 -1.72 0.00 0.00 179.24 177.95 1too h MET 36 N 0.00 0.33 0.00 3.56 4.05 -1.47 0.38 114.93 121.79 1too h MET 36 Ca 0.00 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1too h MET 36 Cb 0.06 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1too h MET 36 CO 0.00 0.22 -0.01 0.93 0.23 0.00 0.00 176.91 178.28 1too h GLU 37 N 0.34 0.00 0.00 0.39 3.07 -1.65 -1.37 114.58 115.36 1too h GLU 37 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1too h GLU 37 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1too h GLU 37 CO -0.09 0.01 0.00 1.96 -1.40 0.00 0.00 179.01 179.48 1too h GLN 38 N 0.00 0.00 -6.98 2.33 4.20 -1.13 -3.46 115.11 110.07 1too h GLN 38 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1too h GLN 38 Cb 0.03 0.00 0.11 0.00 0.30 0.00 0.00 27.48 27.92 1too h GLN 38 CO 0.00 0.00 0.68 1.14 -0.67 0.00 0.00 178.83 179.98 1too s GLN 39 N -3.44 3.78 0.24 1.46 -2.07 -0.52 -4.61 119.66 114.49 1too s GLN 39 Ca 0.04 2.35 -0.30 0.00 -1.82 0.00 0.00 55.36 55.64 1too s GLN 39 Cb 0.08 -2.69 -0.09 0.00 -1.09 0.00 0.00 33.01 29.22 1too s GLN 39 CO 0.56 -0.72 1.25 0.08 -1.32 0.00 0.00 175.29 175.14 1too s VAL 40 N -1.22 3.20 -0.20 3.63 1.01 0.02 -4.98 120.40 121.87 1too s VAL 40 Ca 0.60 1.07 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 1too s VAL 40 Cb -0.42 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1too s VAL 40 CO 0.54 0.20 -0.01 -0.69 0.00 0.00 0.00 175.10 175.15 1too s VAL 41 N -0.42 3.85 0.26 2.92 1.01 -1.26 -4.67 120.40 122.09 1too s VAL 41 Ca 0.52 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1too s VAL 41 Cb -0.36 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1too s VAL 41 CO 0.42 0.43 0.45 -0.36 0.00 0.00 0.00 175.10 176.04 1too s PHE 42 N 1.02 3.48 -0.34 5.22 0.08 0.58 -0.42 117.98 127.61 1too s PHE 42 Ca 0.02 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.40 1too s PHE 42 Cb -0.14 -1.86 0.08 0.00 -0.57 0.00 0.00 43.02 40.53 1too s PHE 42 CO 0.01 0.29 0.06 0.45 -0.10 0.00 0.00 175.22 175.94 1too s SER 43 N -3.51 4.91 -0.29 1.36 0.15 0.63 -1.26 113.70 115.69 1too s SER 43 Ca 0.39 -1.77 -0.20 0.00 0.70 0.00 0.00 55.95 55.06 1too s SER 43 Cb -0.10 -1.70 -0.01 0.00 -1.71 0.00 0.00 66.02 62.49 1too s SER 43 CO 0.31 -0.37 0.63 -0.32 1.20 0.00 0.00 173.24 174.68 1too s MET 44 N 1.10 3.96 -0.13 5.44 1.75 0.14 -2.41 119.30 129.15 1too s MET 44 Ca 0.03 0.37 -0.05 0.00 -1.25 0.00 0.00 55.69 54.79 1too s MET 44 Cb -0.21 -3.70 -0.04 0.00 2.84 0.00 0.00 34.83 33.72 1too s MET 44 CO -0.04 -0.52 0.06 -1.12 -0.65 0.00 0.00 175.02 172.75 1too s SER 45 N 1.59 5.70 -0.60 1.11 0.01 -0.60 -1.55 113.70 119.36 1too s SER 45 Ca 0.25 0.22 -0.19 0.00 1.31 0.00 0.00 55.95 57.54 1too s SER 45 Cb -0.15 -1.81 0.10 0.00 0.21 0.00 0.00 66.02 64.37 1too s SER 45 CO 0.11 0.32 0.72 -0.36 0.41 0.00 0.00 173.24 174.44 1too s PHE 46 N -0.50 2.99 0.66 2.43 0.40 -0.73 -1.29 117.98 121.94 1too s PHE 46 Ca 0.10 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.52 1too s PHE 46 Cb -0.12 -4.03 0.12 0.00 0.51 0.00 0.00 43.02 39.49 1too s PHE 46 CO 0.02 -1.31 0.91 0.14 0.70 0.00 0.00 175.22 175.67 1too s VAL 47 N 2.73 2.06 0.40 -0.44 -7.23 -1.19 -4.51 120.40 112.22 1too s VAL 47 Ca 0.12 -0.82 -0.24 0.00 -1.81 0.00 0.00 61.98 59.23 1too s VAL 47 Cb -0.23 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1too s VAL 47 CO 0.06 0.00 1.02 -1.10 -0.31 0.00 0.00 175.10 174.77 1too s GLN 48 N -4.92 4.21 0.00 4.82 -1.52 -0.41 -4.74 119.66 117.11 1too s GLN 48 Ca 0.65 1.44 0.00 0.00 -1.95 0.00 0.00 55.36 55.50 1too s GLN 48 Cb -0.05 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.22 1too s GLN 48 CO 0.42 -0.09 0.00 0.41 -0.25 0.00 0.00 175.29 175.78 1too n GLY 49 N 0.25 0.42 3.67 3.09 0.00 -1.26 -4.86 105.19 106.51 1too n GLY 49 Ca 0.05 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 1too n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1too s GLU 50 N -1.96 4.14 0.25 1.61 -6.30 -1.26 -4.91 118.70 110.27 1too s GLU 50 Ca 0.00 2.60 0.11 0.00 -2.50 0.00 0.00 54.97 55.18 1too s GLU 50 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 34.13 30.14 1too s GLU 50 CO 0.00 -0.91 -0.20 -2.00 0.02 0.00 0.00 175.26 172.17 1too s GLU 51 N 3.81 1.60 0.22 4.30 2.12 -1.26 -4.44 118.70 125.04 1too s GLU 51 Ca 0.85 -1.69 -0.17 0.00 0.36 0.00 0.00 54.97 54.33 1too s GLU 51 Cb -0.44 -1.71 0.02 0.00 0.26 0.00 0.00 34.13 32.26 1too s GLU 51 CO 0.39 0.33 0.53 0.45 -0.54 0.00 0.00 175.26 176.43 1too s SER 52 N -3.28 -0.22 0.54 -1.70 0.15 0.36 -4.98 113.70 104.57 1too s SER 52 Ca 0.27 -0.60 0.20 0.00 0.70 0.00 0.00 55.95 56.52 1too s SER 52 Cb -0.05 0.60 1.42 0.00 -1.71 0.00 0.00 66.02 66.27 1too s SER 52 CO 0.13 -1.10 2.17 -0.55 1.20 0.00 0.00 173.24 175.08 1too h ASN 53 N 2.19 0.00 -0.00 5.45 -0.00 -2.01 -2.84 115.58 118.37 1too h ASN 53 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1too h ASN 53 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.58 1too h ASN 53 CO 0.35 0.00 -0.05 -0.90 -0.00 0.00 0.00 177.43 176.84 1too n ASP 54 N -4.35 1.15 -3.95 6.14 5.75 -1.26 -4.93 116.55 115.10 1too n ASP 54 Ca -0.02 -1.08 -0.30 0.00 -0.01 0.00 0.00 54.79 53.38 1too n ASP 54 Cb 0.12 0.22 -0.16 0.00 -1.03 0.00 0.00 41.12 40.27 1too n ASP 54 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1too s LYS 55 N -0.64 1.72 -0.12 0.11 2.20 -1.07 -2.03 119.74 119.92 1too s LYS 55 Ca 0.05 -0.87 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1too s LYS 55 Cb 0.04 -2.45 0.02 0.00 -1.51 0.00 0.00 37.83 33.93 1too s LYS 55 CO 0.09 -0.52 -0.14 0.42 -0.36 0.00 0.00 175.35 174.84 1too s ILE 56 N 1.43 1.46 0.11 5.43 1.01 -0.37 -0.49 121.20 129.79 1too s ILE 56 Ca -0.03 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.71 1too s ILE 56 Cb -0.17 -1.36 -0.07 0.00 0.01 0.00 0.00 42.46 40.87 1too s ILE 56 CO -0.07 0.44 1.29 -2.16 0.00 0.00 0.00 174.94 174.43 1too s PRO 57 N 1.16 4.39 0.14 2.79 0.04 -1.26 0.26 135.00 142.52 1too s PRO 57 Ca -0.03 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 1too s PRO 57 Cb -0.14 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1too s PRO 57 CO -0.04 -0.31 0.10 0.14 0.04 0.00 0.00 177.00 176.93 1too s VAL 58 N 0.86 0.09 0.03 -0.36 -7.23 0.11 -3.17 120.40 110.72 1too s VAL 58 Ca 0.60 -1.83 0.07 0.00 -1.81 0.00 0.00 61.98 59.02 1too s VAL 58 Cb -0.33 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 1too s VAL 58 CO 0.31 -0.40 -0.22 0.00 -0.31 0.00 0.00 175.10 174.49 1too s ALA 59 N -4.04 1.83 -0.25 1.32 0.00 -0.41 -0.77 121.76 119.44 1too s ALA 59 Ca 0.24 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1too s ALA 59 Cb 0.07 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.85 1too s ALA 59 CO 0.02 0.42 -0.12 -0.51 0.00 0.00 0.00 175.76 175.57 1too s LEU 60 N -1.03 3.20 0.33 0.00 1.43 -1.26 -1.56 118.68 119.79 1too s LEU 60 Ca 0.08 -1.27 0.10 0.00 -1.03 0.00 0.00 54.13 52.01 1too s LEU 60 Cb -0.09 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.55 1too s LEU 60 CO 0.01 -0.16 -0.09 -0.83 0.23 0.00 0.00 176.35 175.51 1too s GLY 61 N 1.14 2.09 0.14 -3.19 0.00 -1.01 -0.97 107.32 105.53 1too s GLY 61 Ca -0.07 -2.01 -0.26 0.00 0.00 0.00 0.00 44.72 42.38 1too s GLY 61 CO -0.06 -1.98 0.82 1.08 0.00 0.00 0.00 173.10 172.95 1too s LEU 62 N -3.62 4.56 0.07 0.66 1.02 -0.47 -0.27 118.68 120.64 1too s LEU 62 Ca 0.33 1.66 -0.33 0.00 0.02 0.00 0.00 54.13 55.80 1too s LEU 62 Cb 0.00 -3.36 -0.12 0.00 0.02 0.00 0.00 46.19 42.73 1too s LEU 62 CO 0.17 0.13 1.76 1.17 0.02 0.00 0.00 176.35 179.59 1too n LYS 63 N 1.99 2.38 -1.31 1.70 4.81 0.45 -1.98 118.16 126.21 1too n LYS 63 Ca -0.04 0.87 -0.11 0.00 -0.87 0.00 0.00 58.31 58.17 1too n LYS 63 Cb 0.49 -2.70 -0.05 0.00 0.02 0.00 0.00 35.03 32.79 1too n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1too n GLU 64 N 5.12 -1.25 -4.49 1.64 1.02 -1.26 -4.99 120.64 116.43 1too n GLU 64 Ca 0.19 0.83 -0.21 0.00 -0.02 0.00 0.00 57.16 57.95 1too n GLU 64 Cb 0.32 -5.00 -0.15 0.00 -0.02 0.00 0.00 31.44 26.59 1too n GLU 64 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1too s LYS 65 N -2.73 0.97 -1.58 3.49 1.02 -0.84 -5.04 119.74 115.03 1too s LYS 65 Ca 0.00 -0.39 -0.10 0.00 0.02 0.00 0.00 55.97 55.50 1too s LYS 65 Cb 0.00 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 1too s LYS 65 CO 0.00 0.22 2.82 0.27 -0.92 0.00 0.00 175.35 177.74 1too n ASN 66 N 2.92 8.15 -3.83 2.83 2.04 -1.26 -4.24 115.26 121.87 1too n ASN 66 Ca -0.15 -2.66 -0.20 0.00 -0.44 0.00 0.00 54.58 51.13 1too n ASN 66 Cb 0.56 -1.55 -0.17 0.00 -2.53 0.00 0.00 39.78 36.09 1too n ASN 66 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1too s LEU 67 N 0.17 1.05 0.08 -4.53 1.43 -1.26 -2.09 118.68 113.53 1too s LEU 67 Ca 0.66 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.75 1too s LEU 67 Cb 0.18 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 46.00 1too s LEU 67 CO -0.07 -0.11 -0.18 -0.31 0.23 0.00 0.00 176.35 175.91 1too s TYR 68 N 1.25 1.59 0.26 0.29 2.02 -0.31 -1.36 117.35 121.09 1too s TYR 68 Ca -0.06 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 1too s TYR 68 Cb -0.13 -0.89 -0.09 0.00 -0.40 0.00 0.00 41.96 40.44 1too s TYR 68 CO -0.02 0.13 1.18 -0.51 -1.57 0.00 0.00 175.55 174.77 1too s LEU 69 N -1.68 4.49 0.04 -1.29 1.43 -0.14 -0.31 118.68 121.22 1too s LEU 69 Ca 0.04 2.35 0.01 0.00 -1.03 0.00 0.00 54.13 55.50 1too s LEU 69 Cb -0.10 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1too s LEU 69 CO 0.03 -0.31 -0.05 -0.55 0.23 0.00 0.00 176.35 175.70 1too s SER 70 N -0.42 0.60 -0.20 2.29 0.15 0.13 -4.55 113.70 111.70 1too s SER 70 Ca 0.49 -0.60 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1too s SER 70 Cb -0.34 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1too s SER 70 CO 0.42 -0.29 -0.13 0.00 1.20 0.00 0.00 173.24 174.43 1too s VAL 72 N 1.34 0.22 -0.26 0.00 -7.23 -0.43 -4.67 120.40 109.37 1too s VAL 72 Ca 0.04 -1.82 -0.27 0.00 -1.81 0.00 0.00 61.98 58.12 1too s VAL 72 Cb -0.14 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1too s VAL 72 CO -0.09 -0.96 0.94 -0.76 -0.31 0.00 0.00 175.10 173.93 1too s LEU 73 N -2.93 4.06 -0.20 1.32 1.43 -1.26 0.55 118.68 121.64 1too s LEU 73 Ca 0.08 1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1too s LEU 73 Cb 0.08 -3.35 0.05 0.00 0.03 0.00 0.00 46.19 43.00 1too s LEU 73 CO -0.09 -0.65 -0.04 -0.75 0.23 0.00 0.00 176.35 175.05 1too s LYS 74 N 3.13 1.39 -0.82 1.70 2.20 -0.38 -4.74 119.74 122.23 1too s LYS 74 Ca 0.39 -0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 55.28 1too s LYS 74 Cb -0.14 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1too s LYS 74 CO 0.09 -0.54 0.69 -3.47 -0.36 0.00 0.00 175.35 171.77 1too n ASP 75 N 4.82 -3.21 -0.01 1.43 2.03 -1.26 -3.05 116.55 117.29 1too n ASP 75 Ca -0.12 -0.38 -0.00 0.00 0.52 0.00 0.00 54.79 54.82 1too n ASP 75 Cb 0.46 -3.45 -0.00 0.00 -0.72 0.00 0.00 41.12 37.41 1too n ASP 75 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1too n ASP 76 N -1.96 -4.84 -3.97 1.67 8.00 -1.26 -4.99 116.55 109.18 1too n ASP 76 Ca -0.10 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.24 1too n ASP 76 Cb 0.58 -2.36 -0.14 0.00 -0.02 0.00 0.00 41.12 39.18 1too n ASP 76 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1too s LYS 77 N -1.26 0.47 0.15 -1.24 2.20 -1.17 -5.10 119.74 113.80 1too s LYS 77 Ca 0.00 -0.24 -0.34 0.00 -0.36 0.00 0.00 55.97 55.03 1too s LYS 77 Cb 0.00 -0.45 -0.14 0.00 -1.51 0.00 0.00 37.83 35.73 1too s LYS 77 CO 0.00 0.12 1.51 -2.30 -0.36 0.00 0.00 175.35 174.32 1too n PRO 78 N 2.85 1.92 -4.10 4.03 -0.02 -1.26 -1.25 135.00 137.17 1too n PRO 78 Ca -0.13 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 61.89 1too n PRO 78 Cb 0.58 -2.42 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1too n PRO 78 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1too s THR 79 N 0.72 0.42 -0.03 3.45 2.01 0.19 -4.83 115.64 117.57 1too s THR 79 Ca 0.79 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 1too s THR 79 Cb -0.74 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1too s THR 79 CO 0.41 -0.09 0.38 -0.22 -0.69 0.00 0.00 174.62 174.41 1too s LEU 80 N -0.69 4.44 0.14 4.42 2.96 -1.26 -1.32 118.68 127.36 1too s LEU 80 Ca -0.03 0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 54.60 1too s LEU 80 Cb -0.05 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.14 1too s LEU 80 CO -0.00 0.30 0.40 0.00 -1.32 0.00 0.00 176.35 175.72 1too s GLN 81 N -0.85 1.11 -0.20 1.98 -2.07 -0.24 -4.89 119.66 114.50 1too s GLN 81 Ca 0.23 -0.78 -0.13 0.00 -1.82 0.00 0.00 55.36 52.86 1too s GLN 81 Cb -0.16 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1too s GLN 81 CO 0.12 -0.43 0.27 -0.51 -1.32 0.00 0.00 175.29 173.41 1too s LEU 82 N -2.83 4.17 -0.06 2.60 2.01 -1.25 0.20 118.68 123.52 1too s LEU 82 Ca 0.05 0.36 0.05 0.00 0.01 0.00 0.00 54.13 54.60 1too s LEU 82 Cb 0.02 -2.31 -0.01 0.00 0.01 0.00 0.00 46.19 43.89 1too s LEU 82 CO -0.10 0.04 -0.23 -0.70 1.01 0.00 0.00 176.35 176.37 1too s GLU 83 N 0.93 2.61 0.25 1.70 2.12 0.57 -4.91 118.70 121.97 1too s GLU 83 Ca 0.14 -0.87 -0.27 0.00 0.36 0.00 0.00 54.97 54.33 1too s GLU 83 Cb -0.14 -2.22 -0.09 0.00 0.26 0.00 0.00 34.13 31.94 1too s GLU 83 CO 0.05 0.40 0.89 -1.12 -0.54 0.00 0.00 175.26 174.93 1too s SER 84 N -0.19 7.45 0.16 -1.70 0.01 -1.26 -1.16 113.70 117.02 1too s SER 84 Ca -0.02 1.81 0.02 0.00 1.31 0.00 0.00 55.95 59.06 1too s SER 84 Cb -0.14 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 1too s SER 84 CO 0.03 0.09 -0.01 0.68 0.41 0.00 0.00 173.24 174.45 1too s VAL 85 N -1.33 0.67 -0.08 3.43 -7.23 -0.89 -4.98 120.40 110.00 1too s VAL 85 Ca 0.43 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 1too s VAL 85 Cb -0.22 -2.05 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 1too s VAL 85 CO 0.27 -0.53 1.85 -0.62 -0.31 0.00 0.00 175.10 175.76 1too s ASP 86 N -3.15 6.34 0.30 4.85 -1.08 -1.26 -4.84 116.67 117.83 1too s ASP 86 Ca 0.22 2.21 0.20 0.00 -0.52 0.00 0.00 52.55 54.67 1too s ASP 86 Cb 0.06 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 40.09 1too s ASP 86 CO 0.03 -1.20 1.62 -0.81 0.52 0.00 0.00 175.17 175.33 1too n PRO 87 N 7.64 0.13 0.05 4.34 -0.04 -1.26 -2.17 135.00 143.69 1too n PRO 87 Ca 0.20 0.63 0.03 0.00 -0.04 0.00 0.00 63.50 64.33 1too n PRO 87 Cb 0.43 -1.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1too n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1too n LYS 88 N -2.21 0.62 -0.02 0.54 4.76 -1.26 -4.25 118.16 116.34 1too n LYS 88 Ca -0.01 0.20 0.11 0.00 -2.87 0.00 0.00 58.31 55.74 1too n LYS 88 Cb 0.03 -1.82 0.10 0.00 -1.84 0.00 0.00 35.03 31.51 1too n LYS 88 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1too n ASN 89 N -2.83 2.90 -4.22 4.39 3.02 -0.92 -4.97 115.26 112.62 1too n ASN 89 Ca -0.07 -1.93 -0.19 0.00 -0.03 0.00 0.00 54.58 52.36 1too n ASN 89 Cb 0.75 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.78 1too n ASN 89 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1too s TYR 90 N -1.81 1.41 0.78 3.10 1.51 -1.20 -4.30 117.35 116.83 1too s TYR 90 Ca 0.27 -0.48 -0.10 0.00 -1.01 0.00 0.00 57.07 55.75 1too s TYR 90 Cb 0.19 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.35 1too s TYR 90 CO 0.28 0.12 1.13 -1.25 -1.11 0.00 0.00 175.55 174.72 1too s PRO 91 N -2.07 2.03 0.04 -1.71 0.04 -1.26 -4.90 135.00 127.17 1too s PRO 91 Ca 0.03 -0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.00 1too s PRO 91 Cb -0.08 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1too s PRO 91 CO 0.03 -1.49 0.11 -1.59 0.04 0.00 0.00 177.00 174.10 1too s LYS 92 N -5.47 0.61 0.28 4.56 -2.85 -1.26 -4.88 119.74 110.72 1too s LYS 92 Ca 0.61 -0.75 -0.02 0.00 -1.00 0.00 0.00 55.97 54.81 1too s LYS 92 Cb -0.11 0.24 0.41 0.00 -2.06 0.00 0.00 37.83 36.31 1too s LYS 92 CO 0.48 -0.16 1.92 0.87 0.10 0.00 0.00 175.35 178.56 1too h LYS 93 N 3.59 1.14 -3.59 1.78 1.57 -1.92 -3.30 116.57 115.84 1too h LYS 93 Ca -0.33 -0.07 -0.78 0.00 -1.87 0.00 0.00 60.65 57.60 1too h LYS 93 Cb 1.19 -0.26 -0.29 0.00 0.08 0.00 0.00 32.23 32.95 1too h LYS 93 CO 0.51 0.76 0.29 0.21 -0.57 0.00 0.00 179.45 180.64 1too s LYS 94 N -6.00 3.93 0.35 3.15 2.47 -1.26 -1.29 119.74 121.09 1too s LYS 94 Ca -0.12 -3.05 -0.24 0.00 -1.56 0.00 0.00 55.97 51.00 1too s LYS 94 Cb 0.19 -4.44 -0.10 0.00 -1.46 0.00 0.00 37.83 32.02 1too s LYS 94 CO 0.81 -1.25 0.93 -1.64 0.16 0.00 0.00 175.35 174.35 1too s MET 95 N -0.95 4.45 0.62 4.03 -1.94 -1.24 -5.02 119.30 119.25 1too s MET 95 Ca 0.27 1.22 -0.19 0.00 -1.71 0.00 0.00 55.69 55.29 1too s MET 95 Cb -0.10 -2.62 -0.02 0.00 2.01 0.00 0.00 34.83 34.10 1too s MET 95 CO -0.09 0.20 1.28 0.39 -0.01 0.00 0.00 175.02 176.79 1too n GLU 96 N 0.20 1.22 -0.32 2.03 4.71 -1.26 -4.88 120.64 122.34 1too n GLU 96 Ca 0.03 0.47 0.15 0.00 -0.01 0.00 0.00 57.16 57.80 1too n GLU 96 Cb 0.51 -2.51 0.38 0.00 -1.01 0.00 0.00 31.44 28.82 1too n GLU 96 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1too h LYS 97 N 0.71 0.64 0.00 3.49 1.63 -1.96 -1.92 116.57 119.15 1too h LYS 97 Ca -0.51 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 1too h LYS 97 Cb 1.34 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1too h LYS 97 CO 0.54 0.42 -0.04 0.07 -3.45 0.00 0.00 179.45 176.99 1too h ARG 98 N 0.66 0.00 -0.00 1.90 0.11 -1.90 -1.44 114.38 113.70 1too h ARG 98 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 1too h ARG 98 Cb 0.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.05 1too h ARG 98 CO -0.30 0.04 -0.34 1.19 0.10 0.00 0.00 179.97 180.66 1too n PHE 99 N -3.56 0.00 -3.35 4.08 3.72 -0.72 -1.00 117.46 116.63 1too n PHE 99 Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 1too n PHE 99 Cb 0.15 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 38.42 1too n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1too s VAL 100 N -2.75 5.14 0.03 -4.37 1.01 -0.54 -4.36 120.40 114.56 1too s VAL 100 Ca 0.18 0.93 0.07 0.00 0.00 0.00 0.00 61.98 63.16 1too s VAL 100 Cb 0.18 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1too s VAL 100 CO 0.60 0.38 -0.20 -0.36 0.00 0.00 0.00 175.10 175.52 1too s PHE 101 N 0.23 1.75 -0.38 5.22 0.40 0.05 -1.23 117.98 124.03 1too s PHE 101 Ca 0.25 -0.36 -0.20 0.00 -0.60 0.00 0.00 56.93 56.03 1too s PHE 101 Cb -0.16 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.31 1too s PHE 101 CO 0.11 0.05 0.59 -0.80 0.70 0.00 0.00 175.22 175.88 1too s ASN 102 N -0.96 6.36 -0.34 1.36 0.02 0.18 0.05 114.94 121.61 1too s ASN 102 Ca 0.07 -0.05 -0.26 0.00 -1.02 0.00 0.00 52.86 51.60 1too s ASN 102 Cb -0.08 -2.30 0.01 0.00 0.02 0.00 0.00 41.25 38.89 1too s ASN 102 CO 0.01 -0.60 0.91 -0.75 0.02 0.00 0.00 177.10 176.69 1too s LYS 103 N 2.62 3.92 -0.18 -0.60 2.20 0.14 -1.69 119.74 126.15 1too s LYS 103 Ca 0.22 0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1too s LYS 103 Cb -0.15 -3.77 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1too s LYS 103 CO 0.15 -0.86 -0.06 0.42 -0.36 0.00 0.00 175.35 174.64 1too s ILE 104 N 3.34 3.43 -0.23 5.43 1.01 0.04 -1.23 121.20 132.99 1too s ILE 104 Ca 0.38 -0.50 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 1too s ILE 104 Cb -0.13 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1too s ILE 104 CO 0.16 0.47 0.52 -1.61 0.00 0.00 0.00 174.94 174.47 1too s GLU 105 N 0.90 4.13 0.00 2.79 2.02 -0.86 -1.16 118.70 126.52 1too s GLU 105 Ca -0.01 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.35 1too s GLU 105 Cb -0.15 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.48 1too s GLU 105 CO 0.01 -0.24 0.00 0.44 0.02 0.00 0.00 175.26 175.48 1too n ILE 106 N 4.83 0.00 0.00 -1.63 -5.35 -0.24 -4.97 119.36 112.00 1too n ILE 106 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1too n ILE 106 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1too n ILE 106 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1too n ASN 107 N 0.00 0.00 -0.03 7.28 2.85 -1.26 -4.29 115.26 119.82 1too n ASN 107 Ca 0.00 0.84 0.00 0.00 -0.11 0.00 0.00 54.58 55.31 1too n ASN 107 Cb 0.00 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 40.61 1too n ASN 107 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1too n ASN 108 N -2.73 0.00 -4.84 1.20 0.23 -1.26 -5.12 115.26 102.74 1too n ASN 108 Ca 0.00 -1.02 -0.28 0.00 -0.53 0.00 0.00 54.58 52.75 1too n ASN 108 Cb 0.00 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.66 1too n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1too s LYS 109 N 0.00 2.24 0.15 -3.83 -0.14 -1.26 -4.96 119.74 111.94 1too s LYS 109 Ca 0.00 -2.09 0.10 0.00 -1.36 0.00 0.00 55.97 52.62 1too s LYS 109 Cb 0.00 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1too s LYS 109 CO 0.00 -0.47 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.38 1too s LEU 110 N -4.12 2.38 0.02 3.17 1.43 0.14 -1.08 118.68 120.63 1too s LEU 110 Ca 0.27 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1too s LEU 110 Cb -0.00 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1too s LEU 110 CO 0.16 0.09 -0.10 -1.61 0.23 0.00 0.00 176.35 175.13 1too s GLU 111 N -2.38 0.68 -0.32 1.70 2.02 -0.31 -0.03 118.70 120.06 1too s GLU 111 Ca 0.15 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.58 1too s GLU 111 Cb -0.08 -0.61 0.08 0.00 0.10 0.00 0.00 34.13 33.62 1too s GLU 111 CO 0.07 0.15 0.02 -0.06 0.02 0.00 0.00 175.26 175.45 1too s PHE 112 N -0.76 3.53 -0.05 1.61 0.08 -1.26 -0.78 117.98 120.35 1too s PHE 112 Ca -0.01 -2.58 -0.13 0.00 0.12 0.00 0.00 56.93 54.33 1too s PHE 112 Cb -0.07 -2.56 -0.05 0.00 -0.57 0.00 0.00 43.02 39.77 1too s PHE 112 CO 0.00 -0.91 0.33 -2.00 -0.10 0.00 0.00 175.22 172.54 1too s GLU 113 N 1.04 3.83 0.07 0.44 2.12 -0.68 -1.42 118.70 124.10 1too s GLU 113 Ca 0.02 0.24 -0.31 0.00 0.36 0.00 0.00 54.97 55.29 1too s GLU 113 Cb -0.20 -3.24 -0.07 0.00 0.26 0.00 0.00 34.13 30.89 1too s GLU 113 CO -0.06 0.66 1.41 0.45 -0.54 0.00 0.00 175.26 177.18 1too s SER 114 N -0.89 6.82 0.29 -1.70 0.15 0.04 0.50 113.70 118.91 1too s SER 114 Ca 0.21 2.25 0.07 0.00 0.70 0.00 0.00 55.95 59.18 1too s SER 114 Cb -0.15 -2.58 0.42 0.00 -1.71 0.00 0.00 66.02 62.01 1too s SER 114 CO 0.10 -0.69 1.67 0.00 1.20 0.00 0.00 173.24 175.52 1too h ALA 115 N 7.29 1.06 -0.21 5.45 0.00 -1.44 -3.15 119.26 128.26 1too h ALA 115 Ca -0.41 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 53.97 1too h ALA 115 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1too h ALA 115 CO 0.88 0.63 -0.17 0.37 0.00 0.00 0.00 179.25 180.96 1too h GLN 116 N 0.15 0.49 -4.05 0.00 5.75 -1.74 -3.40 115.11 112.31 1too h GLN 116 Ca 0.01 -0.24 -0.67 0.00 -0.15 0.00 0.00 58.65 57.60 1too h GLN 116 Cb 0.90 0.00 -0.38 0.00 1.07 0.00 0.00 27.48 29.07 1too h GLN 116 CO 0.07 0.81 -0.60 -0.06 -2.65 0.00 0.00 178.83 176.41 1too s PHE 117 N -4.42 3.49 0.21 3.99 0.08 -1.19 -5.09 117.98 115.06 1too s PHE 117 Ca -0.13 -2.89 -0.31 0.00 0.12 0.00 0.00 56.93 53.71 1too s PHE 117 Cb 0.07 -3.00 -0.15 0.00 -0.57 0.00 0.00 43.02 39.37 1too s PHE 117 CO 0.78 -0.87 1.20 -2.30 -0.10 0.00 0.00 175.22 173.93 1too n PRO 118 N 3.83 1.44 -1.31 0.24 -0.02 -1.25 -2.00 135.00 135.93 1too n PRO 118 Ca 0.04 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 1too n PRO 118 Cb 0.38 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1too n PRO 118 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1too n ASN 119 N 1.89 -4.46 -4.44 2.55 5.03 -1.26 -5.01 115.26 109.55 1too n ASN 119 Ca 0.13 0.27 -0.33 0.00 0.87 0.00 0.00 54.58 55.51 1too n ASN 119 Cb 0.28 -2.91 -0.13 0.00 -1.02 0.00 0.00 39.78 36.00 1too n ASN 119 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1too s TRP 120 N -2.35 2.89 0.13 3.10 0.52 -0.85 -4.49 118.94 117.90 1too s TRP 120 Ca 0.00 -0.42 0.09 0.00 0.02 0.00 0.00 56.10 55.79 1too s TRP 120 Cb 0.00 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1too s TRP 120 CO 0.00 -0.07 -0.20 0.71 0.02 0.00 0.00 176.95 177.41 1too s TYR 121 N 0.16 1.86 0.04 -1.98 2.02 0.87 -0.78 117.35 119.54 1too s TYR 121 Ca -0.05 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 1too s TYR 121 Cb -0.14 -0.98 -0.07 0.00 -0.40 0.00 0.00 41.96 40.37 1too s TYR 121 CO 0.04 0.28 1.51 0.42 -1.57 0.00 0.00 175.55 176.22 1too s ILE 122 N -1.54 3.40 0.17 2.71 1.01 -0.51 -0.42 121.20 126.03 1too s ILE 122 Ca 0.11 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.60 1too s ILE 122 Cb -0.08 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1too s ILE 122 CO 0.06 0.00 0.02 -0.44 0.00 0.00 0.00 174.94 174.58 1too s SER 123 N 2.04 1.04 0.19 3.58 0.01 0.24 -4.62 113.70 116.17 1too s SER 123 Ca 0.68 -1.20 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1too s SER 123 Cb -0.35 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 1too s SER 123 CO 0.29 -0.61 -0.07 0.42 0.41 0.00 0.00 173.24 173.68 1too s THR 124 N -3.74 1.20 0.41 1.44 -4.23 -0.45 -1.03 115.64 109.24 1too s THR 124 Ca 0.25 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1too s THR 124 Cb 0.06 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1too s THR 124 CO 0.04 -0.57 0.64 -0.55 -0.54 0.00 0.00 174.62 173.64 1too s SER 125 N -3.24 6.19 0.30 3.99 0.15 -1.26 -0.80 113.70 119.03 1too s SER 125 Ca 0.22 0.56 0.07 0.00 0.70 0.00 0.00 55.95 57.50 1too s SER 125 Cb 0.03 -2.00 0.46 0.00 -1.71 0.00 0.00 66.02 62.81 1too s SER 125 CO 0.04 -0.45 1.70 1.56 1.20 0.00 0.00 173.24 177.29 1too h GLN 126 N 0.53 0.20 -7.17 5.44 1.08 -1.97 -3.45 115.11 109.77 1too h GLN 126 Ca -0.48 -0.10 -0.52 0.00 -1.45 0.00 0.00 58.65 56.10 1too h GLN 126 Cb 1.22 -0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.77 1too h GLN 126 CO 0.61 0.60 0.39 0.00 -0.95 0.00 0.00 178.83 179.48 1too s ALA 127 N -4.09 2.35 0.38 3.87 0.00 -1.26 -5.01 121.76 118.00 1too s ALA 127 Ca -0.04 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 1too s ALA 127 Cb 0.13 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1too s ALA 127 CO 0.77 -1.47 1.01 -2.00 0.00 0.00 0.00 175.76 174.07 1too s GLU 128 N -3.90 4.30 -1.46 0.00 2.56 -1.26 -4.19 118.70 114.75 1too s GLU 128 Ca 0.71 1.42 -0.07 0.00 0.00 0.00 0.00 54.97 57.03 1too s GLU 128 Cb -0.25 -2.58 0.03 0.00 2.00 0.00 0.00 34.13 33.33 1too s GLU 128 CO 0.41 -0.00 0.62 -1.71 -0.56 0.00 0.00 175.26 174.02 1too n ASN 129 N 0.06 -5.37 -4.85 -1.70 5.15 -0.30 -5.01 115.26 103.24 1too n ASN 129 Ca 0.04 -0.35 -0.24 0.00 -0.60 0.00 0.00 54.58 53.43 1too n ASN 129 Cb 0.50 -4.35 -0.04 0.00 -0.53 0.00 0.00 39.78 35.36 1too n ASN 129 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1too s MET 130 N -5.87 3.06 0.62 1.20 -1.94 -1.23 -4.82 119.30 110.33 1too s MET 130 Ca 0.36 -0.86 -0.18 0.00 -1.71 0.00 0.00 55.69 53.30 1too s MET 130 Cb -0.17 -2.71 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1too s MET 130 CO 0.45 0.46 1.23 -2.14 -0.01 0.00 0.00 175.02 175.01 1too s PRO 131 N -3.42 2.80 0.24 2.03 0.02 -1.26 -1.77 135.00 133.63 1too s PRO 131 Ca 0.32 1.89 -0.27 0.00 0.02 0.00 0.00 61.00 62.96 1too s PRO 131 Cb -0.10 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1too s PRO 131 CO 0.25 -1.36 0.88 0.08 -0.33 0.00 0.00 177.00 176.53 1too s VAL 132 N -1.56 4.21 0.30 3.83 1.01 -0.01 -4.61 120.40 123.56 1too s VAL 132 Ca 0.79 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.66 1too s VAL 132 Cb -0.32 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 1too s VAL 132 CO 0.36 0.42 0.34 0.72 0.00 0.00 0.00 175.10 176.94 1too s PHE 133 N -1.28 1.27 -0.31 5.22 -0.71 -0.20 -4.81 117.98 117.15 1too s PHE 133 Ca 0.41 -1.39 -0.15 0.00 -1.04 0.00 0.00 56.93 54.77 1too s PHE 133 Cb -0.23 -0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 41.18 1too s PHE 133 CO 0.28 -0.94 0.35 -1.17 -1.34 0.00 0.00 175.22 172.40 1too s LEU 134 N -3.25 4.25 -0.01 -1.99 2.96 -1.26 0.80 118.68 120.18 1too s LEU 134 Ca 0.35 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1too s LEU 134 Cb 0.02 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1too s LEU 134 CO 0.20 -0.25 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.01 1too s GLY 135 N 1.71 1.60 -0.24 7.98 0.00 0.44 -4.87 107.32 113.94 1too s GLY 135 Ca 0.12 -1.05 0.14 0.00 0.00 0.00 0.00 44.72 43.93 1too s GLY 135 CO 0.11 -0.89 1.73 0.61 0.00 0.00 0.00 173.10 174.66 1too n GLY 136 N 1.90 3.14 2.85 0.20 0.00 -1.26 -0.09 105.19 111.93 1too n GLY 136 Ca -0.16 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1too n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1too s THR 137 N -2.80 0.02 0.16 2.61 -4.23 -1.26 -4.87 115.64 105.27 1too s THR 137 Ca 0.54 0.04 0.08 0.00 -1.18 0.00 0.00 61.69 61.17 1too s THR 137 Cb 0.41 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 74.16 1too s THR 137 CO 0.15 0.03 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.64 1too s LYS 138 N 0.27 2.11 0.00 3.99 1.02 -1.26 -4.59 119.74 121.28 1too s LYS 138 Ca -0.02 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.77 1too s LYS 138 Cb -0.04 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1too s LYS 138 CO -0.01 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 1too n GLY 139 N 0.17 0.38 0.00 -3.33 0.00 -1.26 -4.99 105.19 96.16 1too n GLY 139 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1too n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1too n GLY 140 N -1.71 1.53 0.10 -0.02 0.00 -1.26 -4.99 105.19 98.84 1too n GLY 140 Ca 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 1too n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1too h GLN 141 N 0.00 0.00 -6.99 1.61 7.50 -1.94 -3.46 115.11 111.83 1too h GLN 141 Ca 0.00 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.68 1too h GLN 141 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 1too h GLN 141 CO 0.00 0.59 0.27 -0.51 -1.50 0.00 0.00 178.83 177.68 1too s ASP 142 N -6.34 6.78 -0.10 1.46 1.01 -1.26 -4.45 116.67 113.77 1too s ASP 142 Ca 0.01 1.50 -0.17 0.00 0.71 0.00 0.00 52.55 54.59 1too s ASP 142 Cb 0.09 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1too s ASP 142 CO 0.79 -0.38 0.46 -0.63 0.21 0.00 0.00 175.17 175.62 1too s ILE 143 N -2.27 5.16 0.00 0.77 -1.09 0.02 -4.71 121.20 119.08 1too s ILE 143 Ca 0.58 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1too s ILE 143 Cb -0.10 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.99 1too s ILE 143 CO 0.21 0.37 0.37 0.35 -1.23 0.00 0.00 174.94 175.01 1too n THR 144 N 3.36 0.10 -4.13 2.92 -2.24 -1.26 -1.34 114.28 111.69 1too n THR 144 Ca -0.08 -0.34 -0.34 0.00 -2.27 0.00 0.00 64.05 61.02 1too n THR 144 Cb 0.52 1.31 -0.07 0.00 -2.10 0.00 0.00 70.33 69.98 1too n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1too s ASP 145 N -0.10 5.72 0.20 3.42 -0.00 -1.26 -4.49 116.67 120.16 1too s ASP 145 Ca 0.00 0.22 -0.01 0.00 -0.00 0.00 0.00 52.55 52.76 1too s ASP 145 Cb 0.00 -1.69 -0.04 0.00 -0.00 0.00 0.00 42.92 41.19 1too s ASP 145 CO 0.00 0.33 0.12 0.26 -0.00 0.00 0.00 175.17 175.88 1too s TRP 146 N -1.08 1.14 0.09 4.23 0.52 0.96 -1.21 118.94 123.60 1too s TRP 146 Ca 0.19 -1.36 0.05 0.00 0.02 0.00 0.00 56.10 54.99 1too s TRP 146 Cb -0.12 -0.56 -0.03 0.00 -1.15 0.00 0.00 33.47 31.61 1too s TRP 146 CO 0.09 -0.62 -0.13 0.95 0.02 0.00 0.00 176.95 177.26 1too s THR 147 N -4.14 1.10 -0.01 2.01 -4.23 -0.43 0.27 115.64 110.21 1too s THR 147 Ca 0.38 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.43 1too s THR 147 Cb 0.07 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1too s THR 147 CO 0.11 -0.40 -0.23 -0.32 -0.54 0.00 0.00 174.62 173.25 1too s MET 148 N -2.35 1.81 -0.10 3.99 1.75 -1.26 -2.00 119.30 121.13 1too s MET 148 Ca 0.03 -0.83 0.03 0.00 -1.25 0.00 0.00 55.69 53.68 1too s MET 148 Cb -0.06 -1.76 -0.01 0.00 2.84 0.00 0.00 34.83 35.83 1too s MET 148 CO 0.02 0.48 -0.20 -0.65 -0.65 0.00 0.00 175.02 174.02 1too s GLN 149 N -0.59 3.02 0.30 4.11 1.11 -0.34 -4.97 119.66 122.30 1too s GLN 149 Ca 0.09 -0.81 -0.24 0.00 0.01 0.00 0.00 55.36 54.40 1too s GLN 149 Cb -0.09 -2.38 -0.10 0.00 -1.01 0.00 0.00 33.01 29.43 1too s GLN 149 CO -0.01 0.26 0.89 -0.06 0.01 0.00 0.00 175.29 176.38 1too s PHE 150 N 0.17 3.67 0.10 0.91 0.40 -1.26 -1.08 117.98 120.89 1too s PHE 150 Ca -0.11 1.68 0.10 0.00 -0.60 0.00 0.00 56.93 58.00 1too s PHE 150 Cb -0.16 -2.85 -0.04 0.00 0.51 0.00 0.00 43.02 40.49 1too s PHE 150 CO 0.06 0.23 -0.26 0.14 0.70 0.00 0.00 175.22 176.10 1too s VAL 151 N -1.62 2.13 0.48 -0.44 -7.23 -1.08 -4.91 120.40 107.74 1too s VAL 151 Ca 0.49 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1too s VAL 151 Cb -0.18 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1too s VAL 151 CO 0.23 0.15 0.82 -1.54 -0.31 0.00 0.00 175.10 174.44 1too n SER 152 N 1.19 0.00 0.00 4.85 3.41 -1.26 -4.68 113.62 117.13 1too n SER 152 Ca -0.18 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1too n SER 152 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1too n SER 152 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64