#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjm h SER 2 N 0.00 -0.65 -6.29 1.61 0.02 -2.09 -3.48 113.55 102.67 1wjm h SER 2 Ca 0.00 -0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1wjm h SER 2 Cb 0.00 0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1wjm h SER 2 CO 0.00 -0.27 -1.06 -1.20 -1.14 0.00 0.00 176.83 173.16 1wjm n SER 3 N -5.30 -6.30 0.00 3.07 7.64 -1.26 -4.87 113.62 106.60 1wjm n SER 3 Ca -0.11 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wjm n SER 3 Cb 0.33 -2.14 0.00 0.00 -1.01 0.00 0.00 64.21 61.39 1wjm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 4 N 0.49 -3.03 2.60 0.23 0.00 -1.26 -4.41 105.19 99.81 1wjm n GLY 4 Ca -0.03 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1wjm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wjm s SER 5 N -2.61 3.49 -0.24 1.61 0.15 -1.26 -5.10 113.70 109.73 1wjm s SER 5 Ca 0.00 -1.96 -0.07 0.00 0.70 0.00 0.00 55.95 54.62 1wjm s SER 5 Cb 0.00 -0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 63.65 1wjm s SER 5 CO 0.00 -0.35 0.06 -0.55 1.20 0.00 0.00 173.24 173.60 1wjm s SER 6 N 1.27 5.11 0.00 5.45 0.15 -1.26 -4.98 113.70 119.43 1wjm s SER 6 Ca 0.14 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wjm s SER 6 Cb -0.20 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1wjm s SER 6 CO -0.13 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wjm n GLY 7 N 4.77 4.12 3.46 9.45 0.00 -1.26 -4.99 105.19 120.75 1wjm n GLY 7 Ca -0.16 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 1wjm n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 8 N -5.06 3.86 0.20 1.61 8.01 -1.26 -4.98 118.70 121.08 1wjm s GLU 8 Ca 0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 54.97 52.73 1wjm s GLU 8 Cb 0.00 -4.98 -0.05 0.00 -4.31 0.00 0.00 34.13 24.78 1wjm s GLU 8 CO 0.00 -1.76 0.44 -0.65 0.01 0.00 0.00 175.26 173.30 1wjm s GLN 9 N 2.05 3.60 -0.16 1.61 1.11 -1.26 -4.66 119.66 121.95 1wjm s GLN 9 Ca 0.38 -0.12 -0.09 0.00 0.01 0.00 0.00 55.36 55.54 1wjm s GLN 9 Cb -0.04 -2.78 0.06 0.00 -1.01 0.00 0.00 33.01 29.24 1wjm s GLN 9 CO -0.05 0.37 0.40 1.41 0.01 0.00 0.00 175.29 177.43 1wjm s MET 10 N -3.11 0.39 -0.09 2.91 1.75 -0.79 -4.96 119.30 115.40 1wjm s MET 10 Ca 0.41 0.75 -0.04 0.00 -1.25 0.00 0.00 55.69 55.57 1wjm s MET 10 Cb -0.11 -0.01 0.05 0.00 2.84 0.00 0.00 34.83 37.59 1wjm s MET 10 CO 0.27 -0.15 0.18 -1.83 -0.65 0.00 0.00 175.02 172.84 1wjm s GLU 11 N 1.30 0.07 -0.06 4.11 -1.05 -1.26 0.19 118.70 122.01 1wjm s GLU 11 Ca -0.09 0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 54.98 1wjm s GLU 11 Cb -0.08 -0.21 0.10 0.00 -0.44 0.00 0.00 34.13 33.50 1wjm s GLU 11 CO -0.12 -0.26 0.83 0.20 0.95 0.00 0.00 175.26 176.86 1wjm s GLY 12 N 1.99 -0.45 -0.00 -3.83 0.00 -0.71 -5.01 107.32 99.32 1wjm s GLY 12 Ca -0.01 1.43 -0.31 0.00 0.00 0.00 0.00 44.72 45.83 1wjm s GLY 12 CO -0.06 0.77 1.95 -0.13 0.00 0.00 0.00 173.10 175.63 1wjm n MET 13 N 0.46 2.67 -4.03 2.90 1.56 -1.26 -2.40 117.12 117.02 1wjm n MET 13 Ca -0.13 0.98 -0.09 0.00 -0.27 0.00 0.00 57.70 58.18 1wjm n MET 13 Cb 0.59 -2.91 -0.11 0.00 2.15 0.00 0.00 33.22 32.94 1wjm n MET 13 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wjm s LEU 14 N 4.40 2.32 -0.69 -0.89 1.02 -1.17 -4.84 118.68 118.84 1wjm s LEU 14 Ca 0.90 -0.66 -0.18 0.00 0.02 0.00 0.00 54.13 54.21 1wjm s LEU 14 Cb -0.51 0.07 0.13 0.00 0.02 0.00 0.00 46.19 45.90 1wjm s LEU 14 CO 0.45 -0.37 0.80 0.00 0.02 0.00 0.00 176.35 177.25 1wjm s ARG 16 N 2.35 4.22 -0.41 0.00 3.52 -1.09 -3.02 118.95 124.52 1wjm s ARG 16 Ca 0.17 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.42 1wjm s ARG 16 Cb -0.18 -3.57 0.12 0.00 -1.56 0.00 0.00 34.95 29.75 1wjm s ARG 16 CO 0.01 -0.23 0.17 0.21 -0.81 0.00 0.00 175.30 174.64 1wjm s LYS 17 N 1.89 1.44 -0.23 5.12 2.20 -0.44 -3.38 119.74 126.34 1wjm s LYS 17 Ca 0.29 -1.99 -0.28 0.00 -0.36 0.00 0.00 55.97 53.63 1wjm s LYS 17 Cb -0.16 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 1wjm s LYS 17 CO 0.10 -1.05 2.16 -1.14 -0.36 0.00 0.00 175.35 175.06 1wjm s GLN 18 N 0.54 3.17 -0.19 4.03 0.74 -1.26 -3.10 119.66 123.59 1wjm s GLN 18 Ca 0.14 1.97 -0.20 0.00 0.05 0.00 0.00 55.36 57.32 1wjm s GLN 18 Cb -0.22 -4.35 -0.17 0.00 1.10 0.00 0.00 33.01 29.37 1wjm s GLN 18 CO -0.07 -2.05 0.22 0.93 -0.55 0.00 0.00 175.29 173.77 1wjm h GLU 19 N 14.71 0.00 -5.60 1.67 4.39 -1.71 -3.34 114.58 124.70 1wjm h GLU 19 Ca -0.40 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.80 1wjm h GLU 19 Cb 1.23 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.74 1wjm h GLU 19 CO 0.97 0.83 -0.69 -1.64 -1.16 0.00 0.00 179.01 177.31 1wjm s MET 20 N -2.30 1.53 -0.00 2.33 -1.94 -1.16 -3.07 119.30 114.69 1wjm s MET 20 Ca -0.25 -1.76 0.05 0.00 -1.71 0.00 0.00 55.69 52.03 1wjm s MET 20 Cb 0.04 -1.23 -0.06 0.00 2.01 0.00 0.00 34.83 35.59 1wjm s MET 20 CO 0.53 0.09 0.20 -1.91 -0.01 0.00 0.00 175.02 173.92 1wjm n GLU 21 N -0.56 3.98 0.00 2.03 2.13 -0.72 -3.45 120.64 124.05 1wjm n GLU 21 Ca -0.06 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1wjm n GLU 21 Cb 0.63 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.49 1wjm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wjm n ALA 22 N -1.27 0.00 -1.67 4.31 0.00 -1.02 -4.43 120.51 116.44 1wjm n ALA 22 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.87 1wjm n ALA 22 Cb 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 1wjm n ALA 22 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wjm n PHE 23 N -0.27 1.96 -1.23 0.00 3.72 -1.23 0.18 117.46 120.59 1wjm n PHE 23 Ca 0.00 0.54 -0.09 0.00 -0.05 0.00 0.00 57.45 57.85 1wjm n PHE 23 Cb 0.00 -2.45 -0.04 0.00 -0.94 0.00 0.00 39.48 36.05 1wjm n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wjm n GLY 24 N 4.61 0.84 3.59 1.37 0.00 -1.26 -4.92 105.19 109.41 1wjm n GLY 24 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1wjm n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wjm s LYS 25 N -2.69 3.94 0.04 1.61 2.47 0.48 -5.07 119.74 120.50 1wjm s LYS 25 Ca 0.00 -0.33 -0.20 0.00 -1.56 0.00 0.00 55.97 53.88 1wjm s LYS 25 Cb 0.00 -3.56 -0.06 0.00 -1.46 0.00 0.00 37.83 32.75 1wjm s LYS 25 CO 0.00 -0.11 0.58 -1.59 0.16 0.00 0.00 175.35 174.39 1wjm s LYS 26 N 1.52 4.25 0.23 4.03 -2.85 -1.26 -1.76 119.74 123.89 1wjm s LYS 26 Ca 0.07 0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 55.47 1wjm s LYS 26 Cb -0.15 -3.28 -0.09 0.00 -2.06 0.00 0.00 37.83 32.25 1wjm s LYS 26 CO 0.08 0.53 1.07 0.00 0.10 0.00 0.00 175.35 177.12 1wjm s ALA 27 N -0.72 3.38 0.11 0.59 0.00 -1.17 -4.60 121.76 119.35 1wjm s ALA 27 Ca 0.30 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 1wjm s ALA 27 Cb -0.19 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 1wjm s ALA 27 CO 0.18 -0.10 1.34 0.00 0.00 0.00 0.00 175.76 177.18 1wjm n ALA 28 N 1.73 -0.45 -3.82 0.00 0.00 -1.26 -4.22 120.51 112.50 1wjm n ALA 28 Ca 0.00 0.60 -0.25 0.00 0.00 0.00 0.00 53.44 53.79 1wjm n ALA 28 Cb 0.46 0.03 -0.17 0.00 0.00 0.00 0.00 19.45 19.77 1wjm n ALA 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wjm s ASN 29 N -4.80 1.91 -0.98 0.00 2.47 -1.26 -5.05 114.94 107.23 1wjm s ASN 29 Ca -0.08 -0.22 -0.01 0.00 0.42 0.00 0.00 52.86 52.96 1wjm s ASN 29 Cb 0.08 -0.60 0.31 0.00 -1.45 0.00 0.00 41.25 39.58 1wjm s ASN 29 CO 0.43 -0.17 1.47 0.54 -3.72 0.00 0.00 177.10 175.65 1wjm n ARG 30 N 5.06 4.47 -3.79 0.43 1.74 -1.25 -4.76 116.66 118.56 1wjm n ARG 30 Ca -0.09 -4.63 -0.21 0.00 -0.77 0.00 0.00 57.85 52.16 1wjm n ARG 30 Cb 0.50 -2.45 -0.03 0.00 -1.02 0.00 0.00 32.46 29.46 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wjm s SER 31 N -1.86 5.56 -0.08 0.55 0.01 -1.26 -4.89 113.70 111.73 1wjm s SER 31 Ca 0.35 -0.34 -0.25 0.00 1.31 0.00 0.00 55.95 57.02 1wjm s SER 31 Cb 0.12 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 1wjm s SER 31 CO 0.01 -0.30 0.80 0.26 0.41 0.00 0.00 173.24 174.42 1wjm s TRP 32 N -2.22 3.56 -0.13 2.43 0.52 -1.26 -4.38 118.94 117.45 1wjm s TRP 32 Ca 0.40 1.36 -0.05 0.00 0.02 0.00 0.00 56.10 57.82 1wjm s TRP 32 Cb -0.07 -2.93 0.06 0.00 -1.15 0.00 0.00 33.47 29.38 1wjm s TRP 32 CO 0.28 -0.02 0.28 -0.65 0.02 0.00 0.00 176.95 176.85 1wjm s GLN 33 N 1.19 0.19 -0.42 4.98 -0.21 -1.22 -5.06 119.66 119.11 1wjm s GLN 33 Ca 0.41 0.70 -0.27 0.00 0.02 0.00 0.00 55.36 56.22 1wjm s GLN 33 Cb -0.18 -0.04 -0.06 0.00 1.00 0.00 0.00 33.01 33.73 1wjm s GLN 33 CO 0.19 -0.24 2.32 -0.80 -2.12 0.00 0.00 175.29 174.64 1wjm s ASN 34 N 1.99 4.78 -0.16 5.90 -0.87 -1.26 -2.67 114.94 122.65 1wjm s ASN 34 Ca -0.03 1.27 0.01 0.00 -1.57 0.00 0.00 52.86 52.54 1wjm s ASN 34 Cb -0.11 -2.51 0.02 0.00 -0.02 0.00 0.00 41.25 38.63 1wjm s ASN 34 CO -0.09 -2.58 -0.20 -0.69 -2.57 0.00 0.00 177.10 170.97 1wjm s VAL 35 N 10.89 1.97 -0.32 1.60 1.01 0.23 -4.85 120.40 130.93 1wjm s VAL 35 Ca 0.96 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1wjm s VAL 35 Cb -0.21 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1wjm s VAL 35 CO 0.28 0.53 1.67 -0.47 0.00 0.00 0.00 175.10 177.11 1wjm s TYR 36 N 1.18 2.00 0.04 5.22 5.04 0.45 -3.01 117.35 128.28 1wjm s TYR 36 Ca 0.02 0.61 -0.30 0.00 -2.44 0.00 0.00 57.07 54.95 1wjm s TYR 36 Cb -0.14 -4.13 -0.05 0.00 0.35 0.00 0.00 41.96 37.99 1wjm s TYR 36 CO -0.09 -2.76 1.17 0.00 -1.34 0.00 0.00 175.55 172.52 1wjm s VAL 38 N 1.15 1.45 -0.04 0.00 1.01 0.17 -1.73 120.40 122.41 1wjm s VAL 38 Ca 0.57 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1wjm s VAL 38 Cb -0.28 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1wjm s VAL 38 CO 0.28 -0.36 0.12 -0.22 0.00 0.00 0.00 175.10 174.92 1wjm s LEU 39 N 1.38 4.13 0.00 3.92 2.96 0.51 0.19 118.68 131.77 1wjm s LEU 39 Ca 0.02 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1wjm s LEU 39 Cb -0.18 -2.30 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1wjm s LEU 39 CO -0.12 0.31 0.00 -1.14 -1.32 0.00 0.00 176.35 174.08 1wjm n ARG 40 N 1.36 1.02 -0.84 1.98 3.00 -0.83 -1.89 116.66 120.48 1wjm n ARG 40 Ca -0.14 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.30 1wjm n ARG 40 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.92 1wjm n ARG 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wjm n ARG 41 N 0.00 0.91 -1.90 -0.14 1.74 -1.26 -3.43 116.66 112.57 1wjm n ARG 41 Ca 0.00 -1.45 -0.02 0.00 -0.77 0.00 0.00 57.85 55.61 1wjm n ARG 41 Cb 0.00 -2.70 0.01 0.00 -1.02 0.00 0.00 32.46 28.75 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wjm n GLY 42 N 4.64 0.53 3.74 -0.13 0.00 -1.26 -5.00 105.19 107.71 1wjm n GLY 42 Ca 0.46 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1wjm n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wjm s SER 43 N -3.10 -0.34 -0.28 1.61 1.04 -1.22 -4.18 113.70 107.22 1wjm s SER 43 Ca 0.03 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1wjm s SER 43 Cb -0.00 0.69 0.15 0.00 0.10 0.00 0.00 66.02 66.95 1wjm s SER 43 CO 0.09 -1.23 0.36 -0.22 0.98 0.00 0.00 173.24 173.22 1wjm s LEU 44 N -2.87 -0.55 0.02 2.42 2.96 -0.98 -1.96 118.68 117.72 1wjm s LEU 44 Ca 0.08 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1wjm s LEU 44 Cb -0.04 0.87 -0.04 0.00 0.50 0.00 0.00 46.19 47.47 1wjm s LEU 44 CO 0.01 -0.36 0.17 -0.83 -1.32 0.00 0.00 176.35 174.02 1wjm s GLY 45 N 2.47 2.15 -0.12 7.98 0.00 0.50 -0.03 107.32 120.26 1wjm s GLY 45 Ca 0.10 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 43.96 1wjm s GLY 45 CO -0.30 -0.75 0.01 -1.36 0.00 0.00 0.00 173.10 170.71 1wjm s PHE 46 N -1.38 3.18 0.18 1.90 0.08 -1.26 0.46 117.98 121.14 1wjm s PHE 46 Ca 0.29 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.45 1wjm s PHE 46 Cb -0.13 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1wjm s PHE 46 CO 0.22 0.33 0.06 0.71 -0.10 0.00 0.00 175.22 176.44 1wjm s TYR 47 N -0.42 1.15 0.04 0.36 1.51 -0.65 -1.36 117.35 117.99 1wjm s TYR 47 Ca 0.08 -1.20 -0.23 0.00 -1.01 0.00 0.00 57.07 54.71 1wjm s TYR 47 Cb -0.12 -0.63 -0.12 0.00 -0.11 0.00 0.00 41.96 40.97 1wjm s TYR 47 CO 0.02 -0.43 1.35 -0.22 -1.11 0.00 0.00 175.55 175.17 1wjm h LYS 48 N 2.68 -0.77 0.00 -0.62 3.64 -1.87 0.13 116.57 119.76 1wjm h LYS 48 Ca -0.36 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1wjm h LYS 48 Cb 1.22 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1wjm h LYS 48 CO 0.59 -0.51 -0.00 -0.40 -2.27 0.00 0.00 179.45 176.86 1wjm n ASP 49 N -4.29 -0.81 0.28 4.20 5.68 -1.26 -3.66 116.55 116.69 1wjm n ASP 49 Ca -0.10 -1.86 0.13 0.00 -0.50 0.00 0.00 54.79 52.46 1wjm n ASP 49 Cb 0.32 1.44 0.82 0.00 -1.14 0.00 0.00 41.12 42.56 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wjm h ALA 50 N 1.82 1.57 0.00 2.12 0.00 -1.96 0.50 119.26 123.31 1wjm h ALA 50 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wjm h ALA 50 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wjm h ALA 50 CO 0.19 0.04 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1wjm n LYS 51 N -3.95 0.23 -0.03 0.00 4.01 -1.26 -2.60 118.16 114.57 1wjm n LYS 51 Ca -0.03 0.25 0.01 0.00 -0.51 0.00 0.00 58.31 58.04 1wjm n LYS 51 Cb 0.12 -1.81 -0.14 0.00 -0.51 0.00 0.00 35.03 32.69 1wjm n LYS 51 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wjm n ALA 52 N -1.77 2.12 -0.10 7.82 0.00 0.15 -3.46 120.51 125.28 1wjm n ALA 52 Ca 0.05 -0.81 -0.14 0.00 0.00 0.00 0.00 53.44 52.54 1wjm n ALA 52 Cb 0.38 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1wjm n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjm h ALA 53 N 1.51 0.51 -0.27 0.00 0.00 -0.80 0.67 119.26 120.88 1wjm h ALA 53 Ca -0.24 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 1wjm h ALA 53 Cb 1.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1wjm h ALA 53 CO 0.02 0.66 -0.42 1.03 0.00 0.00 0.00 179.25 180.54 1wjm h SER 54 N 0.70 0.84 0.28 0.00 0.87 -1.67 -2.43 113.55 112.14 1wjm h SER 54 Ca 0.04 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1wjm h SER 54 Cb 1.05 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1wjm h SER 54 CO 0.10 1.19 0.00 0.00 -0.53 0.00 0.00 176.83 177.60 1wjm n ALA 55 N -2.53 2.23 -3.61 6.23 0.00 -1.19 -4.87 120.51 116.77 1wjm n ALA 55 Ca -0.04 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 1wjm n ALA 55 Cb 0.55 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.70 1wjm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wjm n GLY 56 N 0.57 -0.44 3.32 0.00 0.00 -0.32 -4.96 105.19 103.36 1wjm n GLY 56 Ca 0.13 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1wjm n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wjm s VAL 57 N -3.39 4.57 0.03 1.61 1.01 0.22 -5.02 120.40 119.44 1wjm s VAL 57 Ca 0.32 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1wjm s VAL 57 Cb -0.15 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1wjm s VAL 57 CO 0.76 -0.50 1.18 -2.16 0.00 0.00 0.00 175.10 174.38 1wjm s PRO 58 N 1.51 4.42 -0.28 2.72 0.04 -1.26 -4.16 135.00 137.98 1wjm s PRO 58 Ca 0.03 1.71 -0.39 0.00 0.04 0.00 0.00 61.00 62.40 1wjm s PRO 58 Cb -0.23 -3.41 -0.14 0.00 0.04 0.00 0.00 34.50 30.76 1wjm s PRO 58 CO 0.04 -0.28 1.89 0.98 0.04 0.00 0.00 177.00 179.66 1wjm n TYR 59 N 4.24 1.95 -1.66 0.56 9.36 -0.46 0.81 117.16 131.95 1wjm n TYR 59 Ca 0.09 0.42 -0.09 0.00 3.32 0.00 0.00 57.90 61.64 1wjm n TYR 59 Cb 0.47 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.65 1wjm n TYR 59 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1wjm n HIS 60 N 6.68 -0.89 -2.33 2.98 8.25 -1.26 0.18 115.22 128.83 1wjm n HIS 60 Ca 0.31 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.65 1wjm n HIS 60 Cb 0.16 -2.17 0.00 0.00 1.12 0.00 0.00 29.99 29.10 1wjm n HIS 60 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wjm n GLY 61 N -0.36 -0.06 3.63 -1.41 0.00 0.24 -4.96 105.19 102.28 1wjm n GLY 61 Ca -0.10 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 1wjm n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 62 N -4.72 3.96 0.97 1.61 2.02 0.49 -5.01 118.70 118.03 1wjm s GLU 62 Ca 0.04 1.19 -0.11 0.00 0.02 0.00 0.00 54.97 56.11 1wjm s GLU 62 Cb -0.02 -3.84 0.17 0.00 0.10 0.00 0.00 34.13 30.55 1wjm s GLU 62 CO 0.05 -1.05 1.09 0.14 0.02 0.00 0.00 175.26 175.51 1wjm s VAL 63 N 4.14 2.35 0.54 2.63 -7.23 -1.26 -4.35 120.40 117.22 1wjm s VAL 63 Ca 0.53 0.11 -0.18 0.00 -1.81 0.00 0.00 61.98 60.64 1wjm s VAL 63 Cb -0.15 -2.37 -0.06 0.00 0.56 0.00 0.00 36.38 34.36 1wjm s VAL 63 CO 0.21 -0.15 1.04 -2.16 -0.31 0.00 0.00 175.10 173.73 1wjm s PRO 64 N -4.73 3.58 -0.22 4.82 0.04 -1.26 -4.62 135.00 132.60 1wjm s PRO 64 Ca 0.66 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.82 1wjm s PRO 64 Cb -0.21 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 1wjm s PRO 64 CO 0.59 -0.60 0.26 0.14 0.04 0.00 0.00 177.00 177.43 1wjm s VAL 65 N -2.27 5.29 0.10 -0.36 -7.23 0.95 -4.84 120.40 112.05 1wjm s VAL 65 Ca 0.65 0.40 -0.31 0.00 -1.81 0.00 0.00 61.98 60.90 1wjm s VAL 65 Cb -0.16 -3.59 -0.07 0.00 0.56 0.00 0.00 36.38 33.12 1wjm s VAL 65 CO 0.29 0.31 1.33 -0.44 -0.31 0.00 0.00 175.10 176.28 1wjm s SER 66 N 1.05 6.90 -0.29 4.85 0.01 -1.26 -2.31 113.70 122.65 1wjm s SER 66 Ca 0.12 2.23 0.02 0.00 1.31 0.00 0.00 55.95 59.63 1wjm s SER 66 Cb -0.14 -2.58 0.37 0.00 0.21 0.00 0.00 66.02 63.88 1wjm s SER 66 CO 0.06 -0.60 1.64 0.18 0.41 0.00 0.00 173.24 174.93 1wjm n LEU 67 N 3.95 5.52 -4.57 2.44 4.77 -1.26 -4.82 117.00 123.03 1wjm n LEU 67 Ca 0.11 -2.90 -0.43 0.00 -0.03 0.00 0.00 56.01 52.76 1wjm n LEU 67 Cb 0.44 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1wjm n LEU 67 CO 0.58 0.91 0.93 0.00 -1.33 0.00 0.00 177.39 178.48 1wjm s ALA 68 N -2.02 3.12 -0.17 -1.18 0.00 -1.26 -3.09 121.76 117.16 1wjm s ALA 68 Ca 0.35 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1wjm s ALA 68 Cb 0.29 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1wjm s ALA 68 CO 0.05 -2.36 0.00 0.54 0.00 0.00 0.00 175.76 173.99 1wjm n ARG 69 N 7.80 -0.12 -2.58 0.00 5.12 -1.26 -4.56 116.66 121.06 1wjm n ARG 69 Ca 0.08 0.48 -0.23 0.00 -1.93 0.00 0.00 57.85 56.24 1wjm n ARG 69 Cb 0.49 -4.05 0.09 0.00 -1.16 0.00 0.00 32.46 27.83 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wjm s ALA 70 N -2.07 3.71 -0.04 7.54 0.00 -1.18 -4.00 121.76 125.73 1wjm s ALA 70 Ca 0.00 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.19 1wjm s ALA 70 Cb 0.00 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 21.10 1wjm s ALA 70 CO 0.00 -1.34 0.31 -0.65 0.00 0.00 0.00 175.76 174.08 1wjm s GLN 71 N -5.09 0.62 -0.05 0.00 -1.52 -0.99 -4.96 119.66 107.66 1wjm s GLN 71 Ca 0.65 -0.07 0.01 0.00 -1.95 0.00 0.00 55.36 54.00 1wjm s GLN 71 Cb -0.06 0.28 0.02 0.00 -0.22 0.00 0.00 33.01 33.02 1wjm s GLN 71 CO 0.43 -0.16 -0.06 0.20 -0.25 0.00 0.00 175.29 175.46 1wjm s GLY 72 N -1.04 0.53 0.10 3.09 0.00 -1.26 -2.56 107.32 106.18 1wjm s GLY 72 Ca -0.11 -0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.47 1wjm s GLY 72 CO 0.04 0.43 -0.03 -0.56 0.00 0.00 0.00 173.10 172.98 1wjm s SER 73 N 0.95 0.84 0.51 1.64 0.01 -1.07 -5.01 113.70 111.58 1wjm s SER 73 Ca -0.10 -1.06 -0.16 0.00 1.31 0.00 0.00 55.95 55.94 1wjm s SER 73 Cb -0.14 0.16 -0.08 0.00 0.21 0.00 0.00 66.02 66.17 1wjm s SER 73 CO 0.00 -0.56 0.98 -0.69 0.41 0.00 0.00 173.24 173.38 1wjm s VAL 74 N -3.78 4.56 -0.80 3.43 1.01 -1.26 -1.25 120.40 122.31 1wjm s VAL 74 Ca 0.14 1.16 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 1wjm s VAL 74 Cb 0.07 -3.73 0.21 0.00 0.00 0.00 0.00 36.38 32.92 1wjm s VAL 74 CO -0.04 -0.71 0.69 0.00 0.00 0.00 0.00 175.10 175.05 1wjm s ALA 75 N -2.65 4.01 -0.41 5.51 0.00 0.89 -4.61 121.76 124.50 1wjm s ALA 75 Ca 0.58 -3.46 0.04 0.00 0.00 0.00 0.00 51.96 49.12 1wjm s ALA 75 Cb -0.10 -3.10 0.34 0.00 0.00 0.00 0.00 23.12 20.25 1wjm s ALA 75 CO 0.33 -2.19 1.26 1.19 0.00 0.00 0.00 175.76 176.34 1wjm n PHE 76 N 3.35 1.19 0.00 0.00 3.72 -1.26 -3.74 117.46 120.73 1wjm n PHE 76 Ca 0.14 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 1wjm n PHE 76 Cb 0.41 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1wjm n PHE 76 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1wjm n ASP 77 N -0.00 2.29 -3.56 4.37 8.00 -1.26 -5.06 116.55 121.32 1wjm n ASP 77 Ca 0.21 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.25 1wjm n ASP 77 Cb 0.87 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.92 1wjm n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wjm n TYR 78 N -2.40 0.38 -3.43 1.24 4.19 -1.24 -4.94 117.16 110.96 1wjm n TYR 78 Ca 0.00 0.83 -0.21 0.00 3.31 0.00 0.00 57.90 61.83 1wjm n TYR 78 Cb 0.37 -1.65 -0.00 0.00 0.49 0.00 0.00 39.34 38.56 1wjm n TYR 78 CO 0.00 0.00 0.00 -0.98 0.91 0.00 0.00 176.86 176.79 1wjm s ARG 79 N -0.11 2.48 0.41 2.98 3.03 -1.26 -4.77 118.95 121.70 1wjm s ARG 79 Ca 0.69 -1.61 0.00 0.00 2.03 0.00 0.00 55.73 56.84 1wjm s ARG 79 Cb -0.97 -2.44 0.00 0.00 -1.03 0.00 0.00 34.95 30.51 1wjm s ARG 79 CO 0.45 -0.43 0.00 1.63 -1.13 0.00 0.00 175.30 175.82 1wjm n LYS 80 N -1.79 0.00 -1.98 3.89 4.76 -1.26 -4.79 118.16 116.99 1wjm n LYS 80 Ca 0.06 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.21 1wjm n LYS 80 Cb 0.62 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.96 1wjm n LYS 80 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1wjm s ARG 81 N 0.00 1.13 0.13 1.97 0.52 -1.26 -5.11 118.95 116.33 1wjm s ARG 81 Ca 0.00 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 1wjm s ARG 81 Cb 0.00 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1wjm s ARG 81 CO 0.00 -2.08 0.07 0.15 0.02 0.00 0.00 175.30 173.45 1wjm s LYS 82 N -5.73 0.94 -0.92 3.54 1.02 -1.26 -4.92 119.74 112.41 1wjm s LYS 82 Ca 0.70 -1.43 -0.03 0.00 0.02 0.00 0.00 55.97 55.23 1wjm s LYS 82 Cb -0.06 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.47 1wjm s LYS 82 CO 0.51 -0.27 0.78 0.72 -0.92 0.00 0.00 175.35 176.18 1wjm n HIS 83 N -0.10 -1.92 -5.09 3.18 8.25 -1.26 -4.57 115.22 113.71 1wjm n HIS 83 Ca -0.05 0.74 -0.28 0.00 -0.26 0.00 0.00 57.72 57.86 1wjm n HIS 83 Cb 0.64 -4.16 -0.16 0.00 1.12 0.00 0.00 29.99 27.43 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wjm s VAL 84 N -3.31 1.78 -0.03 1.59 1.01 -1.26 -0.41 120.40 119.78 1wjm s VAL 84 Ca 0.20 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1wjm s VAL 84 Cb -0.03 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 1wjm s VAL 84 CO 0.60 0.48 -0.12 0.72 0.00 0.00 0.00 175.10 176.78 1wjm s PHE 85 N -0.55 1.22 0.39 5.22 -0.71 -0.93 -0.08 117.98 122.53 1wjm s PHE 85 Ca 0.09 -0.31 -0.12 0.00 -1.04 0.00 0.00 56.93 55.55 1wjm s PHE 85 Cb -0.09 -0.84 -0.07 0.00 -1.21 0.00 0.00 43.02 40.82 1wjm s PHE 85 CO -0.01 -0.11 0.76 0.21 -1.34 0.00 0.00 175.22 174.74 1wjm s LYS 86 N 0.06 3.83 -0.20 1.99 2.20 -0.38 -2.80 119.74 124.45 1wjm s LYS 86 Ca -0.02 0.52 -0.04 0.00 -0.36 0.00 0.00 55.97 56.07 1wjm s LYS 86 Cb -0.09 -2.40 0.07 0.00 -1.51 0.00 0.00 37.83 33.90 1wjm s LYS 86 CO 0.01 0.01 0.09 -1.17 -0.36 0.00 0.00 175.35 173.93 1wjm s LEU 87 N -3.63 0.59 -0.30 5.43 2.96 -0.35 -2.60 118.68 120.77 1wjm s LEU 87 Ca 0.52 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1wjm s LEU 87 Cb -0.10 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.26 1wjm s LEU 87 CO 0.28 -0.36 0.08 -0.83 -1.32 0.00 0.00 176.35 174.19 1wjm s GLY 88 N 2.07 1.79 1.07 7.98 0.00 -1.06 0.01 107.32 119.17 1wjm s GLY 88 Ca 0.03 -1.48 -0.17 0.00 0.00 0.00 0.00 44.72 43.10 1wjm s GLY 88 CO -0.15 0.66 1.21 1.08 0.00 0.00 0.00 173.10 175.89 1wjm s LEU 89 N 1.48 1.73 0.29 0.66 1.43 0.37 -2.36 118.68 122.28 1wjm s LEU 89 Ca 0.02 0.49 0.24 0.00 -1.03 0.00 0.00 54.13 53.86 1wjm s LEU 89 Cb -0.17 -2.42 0.51 0.00 0.03 0.00 0.00 46.19 44.14 1wjm s LEU 89 CO 0.02 -3.36 1.60 0.06 0.23 0.00 0.00 176.35 174.90 1wjm h GLN 90 N -2.06 0.00 -0.17 1.70 3.07 -1.81 -3.04 115.11 112.80 1wjm h GLN 90 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1wjm h GLN 90 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1wjm h GLN 90 CO 0.38 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.83 1wjm n ASP 91 N -2.60 1.01 -0.06 0.06 2.03 -1.26 -4.83 116.55 110.90 1wjm n ASP 91 Ca 0.04 -1.91 -0.01 0.00 0.52 0.00 0.00 54.79 53.44 1wjm n ASP 91 Cb 0.48 -0.11 -0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wjm n GLY 92 N 0.85 0.43 3.62 0.27 0.00 -1.15 -3.55 105.19 105.66 1wjm n GLY 92 Ca 0.08 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1wjm n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wjm s LYS 93 N -2.31 4.04 -0.18 1.61 2.20 -1.25 -2.43 119.74 121.41 1wjm s LYS 93 Ca 0.00 0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 56.07 1wjm s LYS 93 Cb 0.00 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1wjm s LYS 93 CO 0.00 -0.48 -0.05 -2.00 -0.36 0.00 0.00 175.35 172.46 1wjm s GLU 94 N 2.58 3.52 0.22 4.03 2.12 -1.22 0.14 118.70 130.08 1wjm s GLU 94 Ca 0.27 -0.58 0.09 0.00 0.36 0.00 0.00 54.97 55.10 1wjm s GLU 94 Cb -0.15 -2.92 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1wjm s GLU 94 CO 0.10 0.06 -0.17 0.71 -0.54 0.00 0.00 175.26 175.42 1wjm s TYR 95 N 0.81 1.90 -0.14 5.30 2.02 0.10 -1.78 117.35 125.55 1wjm s TYR 95 Ca -0.02 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1wjm s TYR 95 Cb -0.15 -0.87 0.04 0.00 -0.40 0.00 0.00 41.96 40.58 1wjm s TYR 95 CO 0.02 0.46 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.91 1wjm s LEU 96 N -3.26 1.25 -0.13 -1.29 1.43 -1.18 -1.21 118.68 114.29 1wjm s LEU 96 Ca 0.24 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1wjm s LEU 96 Cb -0.03 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.44 1wjm s LEU 96 CO 0.09 -0.20 -0.19 -0.36 0.23 0.00 0.00 176.35 175.92 1wjm s PHE 97 N 1.75 2.69 -0.32 0.29 0.08 -1.12 -1.33 117.98 120.03 1wjm s PHE 97 Ca 0.02 -1.05 -0.14 0.00 0.12 0.00 0.00 56.93 55.89 1wjm s PHE 97 Cb -0.14 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1wjm s PHE 97 CO -0.07 -0.45 0.29 -1.14 -0.10 0.00 0.00 175.22 173.75 1wjm s GLN 98 N 0.59 3.71 0.23 0.44 0.74 -1.17 -2.20 119.66 122.01 1wjm s GLN 98 Ca -0.11 -0.38 -0.09 0.00 0.05 0.00 0.00 55.36 54.82 1wjm s GLN 98 Cb -0.16 -3.75 -0.07 0.00 1.10 0.00 0.00 33.01 30.13 1wjm s GLN 98 CO 0.03 -0.38 0.55 0.00 -0.55 0.00 0.00 175.29 174.94 1wjm s ALA 99 N 1.89 3.56 0.28 1.58 0.00 0.45 -3.79 121.76 125.73 1wjm s ALA 99 Ca 0.10 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.79 1wjm s ALA 99 Cb -0.17 -2.43 0.60 0.00 0.00 0.00 0.00 23.12 21.12 1wjm s ALA 99 CO 0.11 0.49 1.78 1.57 0.00 0.00 0.00 175.76 179.71 1wjm h LYS 100 N 2.50 0.71 -3.24 0.00 2.10 -1.88 -3.43 116.57 113.33 1wjm h LYS 100 Ca -0.47 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.16 1wjm h LYS 100 Cb 1.17 -0.16 -0.06 0.00 -0.90 0.00 0.00 32.23 32.27 1wjm h LYS 100 CO 0.69 0.47 0.10 -0.51 -2.00 0.00 0.00 179.45 178.20 1wjm s ASP 101 N -5.47 -0.20 0.43 7.07 1.01 -1.26 -4.94 116.67 113.31 1wjm s ASP 101 Ca -0.12 -0.72 0.20 0.00 0.71 0.00 0.00 52.55 52.62 1wjm s ASP 101 Cb 0.23 0.68 1.14 0.00 1.01 0.00 0.00 42.92 45.98 1wjm s ASP 101 CO 0.79 -1.27 1.82 -0.33 0.21 0.00 0.00 175.17 176.39 1wjm h GLU 102 N 2.09 0.34 0.52 8.23 5.08 -1.86 -1.24 114.58 127.75 1wjm h GLU 102 Ca -0.22 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1wjm h GLU 102 Cb 1.25 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wjm h GLU 102 CO 0.27 0.23 -0.35 0.00 -1.00 0.00 0.00 179.01 178.16 1wjm h ALA 103 N 1.60 -1.14 -0.55 3.43 0.00 -1.97 1.10 119.26 121.72 1wjm h ALA 103 Ca 0.52 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.35 1wjm h ALA 103 Cb 1.40 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 19.57 1wjm h ALA 103 CO -0.20 -1.12 -0.37 1.49 0.00 0.00 0.00 179.25 179.06 1wjm h GLU 104 N -0.83 -0.20 0.54 0.00 4.57 -1.65 -0.65 114.58 116.37 1wjm h GLU 104 Ca -0.07 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1wjm h GLU 104 Cb 0.67 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1wjm h GLU 104 CO 0.05 -0.13 -0.30 1.98 -1.18 0.00 0.00 179.01 179.43 1wjm h MET 105 N -0.21 -0.75 -0.75 1.92 4.05 -1.21 -1.50 114.93 116.49 1wjm h MET 105 Ca 0.20 0.05 0.27 0.00 -0.28 0.00 0.00 59.70 59.94 1wjm h MET 105 Cb 0.56 0.17 -0.14 0.00 -0.80 0.00 0.00 31.60 31.39 1wjm h MET 105 CO -0.65 -0.50 0.23 0.45 0.23 0.00 0.00 176.91 176.67 1wjm n SER 106 N -4.26 0.11 0.06 1.39 2.88 0.38 0.24 113.62 114.42 1wjm n SER 106 Ca -0.10 1.25 -0.13 0.00 -1.33 0.00 0.00 58.87 58.57 1wjm n SER 106 Cb 0.32 -0.54 -0.09 0.00 -0.75 0.00 0.00 64.21 63.15 1wjm n SER 106 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wjm h SER 107 N 0.00 -0.12 -0.13 -3.46 0.87 -0.74 -1.79 113.55 108.18 1wjm h SER 107 Ca 0.56 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1wjm h SER 107 Cb 1.36 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.30 1wjm h SER 107 CO -0.63 0.19 -0.38 -0.50 -0.53 0.00 0.00 176.83 174.99 1wjm h TRP 108 N -0.44 -1.13 -0.82 2.24 4.06 0.41 0.53 115.95 120.80 1wjm h TRP 108 Ca -0.01 0.05 0.16 0.00 2.06 0.00 0.00 58.89 61.14 1wjm h TRP 108 Cb 0.36 0.51 -0.16 0.00 -1.00 0.00 0.00 29.16 28.88 1wjm h TRP 108 CO 0.02 -0.37 -0.22 -0.07 -3.56 0.00 0.00 178.44 174.25 1wjm h LEU 109 N -0.37 -0.80 -1.35 -4.49 -0.00 -1.04 2.36 115.31 109.61 1wjm h LEU 109 Ca 0.03 0.25 0.08 0.00 -0.00 0.00 0.00 57.88 58.24 1wjm h LEU 109 Cb 0.46 0.52 -0.05 0.00 -0.00 0.00 0.00 40.66 41.58 1wjm h LEU 109 CO -0.32 -0.27 0.51 -0.09 -0.00 0.00 0.00 178.44 178.26 1wjm h ARG 110 N -0.01 0.74 0.07 1.13 2.43 -0.03 0.50 114.38 119.20 1wjm h ARG 110 Ca 0.39 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1wjm h ARG 110 Cb 0.60 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1wjm h ARG 110 CO -0.85 0.49 -0.03 0.28 -1.51 0.00 0.00 179.97 178.35 1wjm h VAL 111 N 0.76 0.15 -1.10 0.20 2.07 0.70 -1.95 116.25 117.08 1wjm h VAL 111 Ca 0.35 -1.04 0.32 0.00 0.82 0.00 0.00 66.70 67.14 1wjm h VAL 111 Cb 0.36 0.29 -0.11 0.00 -1.52 0.00 0.00 31.29 30.30 1wjm h VAL 111 CO -0.13 0.05 0.70 0.58 0.02 0.00 0.00 177.57 178.79 1wjm h VAL 112 N -1.02 0.39 -0.14 2.57 2.07 0.34 1.65 116.25 122.11 1wjm h VAL 112 Ca -0.01 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1wjm h VAL 112 Cb 0.15 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1wjm h VAL 112 CO 0.02 0.06 -0.66 0.78 0.02 0.00 0.00 177.57 177.78 1wjm h ASN 113 N 0.32 0.64 1.08 0.57 2.35 -0.08 0.10 115.58 120.56 1wjm h ASN 113 Ca 0.67 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1wjm h ASN 113 Cb 1.79 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1wjm h ASN 113 CO -0.38 1.13 0.00 0.00 -1.65 0.00 0.00 177.43 176.53 1wjm h ALA 114 N 0.87 1.00 0.09 -0.83 0.00 0.29 -2.23 119.26 118.45 1wjm h ALA 114 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1wjm h ALA 114 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1wjm h ALA 114 CO 0.12 0.00 -1.59 0.00 0.00 0.00 0.00 179.25 177.79 1wjm h ALA 115 N 2.06 0.30 0.27 0.00 0.00 0.41 -3.14 119.26 119.15 1wjm h ALA 115 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 54.91 53.68 1wjm h ALA 115 Cb 0.54 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1wjm h ALA 115 CO 0.00 0.97 -0.38 0.82 0.00 0.00 0.00 179.25 180.67 1wjm h ILE 116 N -0.35 0.23 -0.83 0.00 2.04 -0.66 -1.61 117.51 116.33 1wjm h ILE 116 Ca -0.36 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.62 1wjm h ILE 116 Cb 1.74 0.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 1wjm h ILE 116 CO -0.00 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.60 1wjm h ALA 117 N -0.23 1.21 0.00 1.87 0.00 -1.59 -2.70 119.26 117.82 1wjm h ALA 117 Ca -0.01 0.06 -0.63 0.00 0.00 0.00 0.00 54.91 54.33 1wjm h ALA 117 Cb 0.67 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wjm h ALA 117 CO -0.13 0.01 3.57 0.43 0.00 0.00 0.00 179.25 183.13 1wjm n SER 118 N -4.80 7.54 -1.21 0.00 7.64 -0.61 -4.86 113.62 117.32 1wjm n SER 118 Ca 0.15 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1wjm n SER 118 Cb 0.34 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 119 N 3.69 0.89 3.73 0.23 0.00 -1.02 -4.41 105.19 108.30 1wjm n GLY 119 Ca 0.70 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1wjm n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wjm s PRO 120 N 1.51 4.51 -0.97 1.61 0.04 -1.26 -3.79 135.00 136.66 1wjm s PRO 120 Ca 0.00 1.73 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 1wjm s PRO 120 Cb 0.00 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1wjm s PRO 120 CO 0.00 -0.09 0.82 -1.13 0.04 0.00 0.00 177.00 176.65 1wjm n SER 121 N 3.15 -6.70 -3.91 6.66 3.41 -1.26 -5.01 113.62 109.96 1wjm n SER 121 Ca 0.06 -0.59 -0.26 0.00 -0.26 0.00 0.00 58.87 57.82 1wjm n SER 121 Cb 0.46 -4.79 -0.17 0.00 -0.26 0.00 0.00 64.21 59.45 1wjm n SER 121 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wjm s SER 122 N -3.27 2.03 0.00 4.04 0.15 -1.25 -5.18 113.70 110.21 1wjm s SER 122 Ca 0.31 -0.28 0.31 0.00 0.70 0.00 0.00 55.95 56.99 1wjm s SER 122 Cb -0.06 -0.79 1.84 0.00 -1.71 0.00 0.00 66.02 65.30 1wjm s SER 122 CO 0.77 -0.10 2.17 0.61 1.20 0.00 0.00 173.24 177.89