#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 -0.20 -5.00 1.61 0.87 -2.13 -3.48 113.55 105.21 1wjm h SER 2 Ca 0.00 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1wjm h SER 2 Cb 0.00 0.05 -0.19 0.00 -0.44 0.00 0.00 62.40 61.82 1wjm h SER 2 CO 0.00 0.31 0.15 -0.44 -0.53 0.00 0.00 176.83 176.32 1wjm s SER 3 N -5.34 -0.62 0.00 6.23 0.01 -1.26 -5.13 113.70 107.60 1wjm s SER 3 Ca -0.06 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1wjm s SER 3 Cb 0.00 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1wjm s SER 3 CO 0.20 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1wjm n GLY 4 N 0.92 2.42 3.58 3.44 0.00 -1.26 -5.14 105.19 109.14 1wjm n GLY 4 Ca -0.19 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 5.09 0.31 1.61 0.15 -1.26 -4.85 113.70 114.75 1wjm s SER 5 Ca 0.00 -0.00 -0.28 0.00 0.70 0.00 0.00 55.95 56.37 1wjm s SER 5 Cb 0.00 -1.71 -0.13 0.00 -1.71 0.00 0.00 66.02 62.47 1wjm s SER 5 CO 0.00 0.24 1.06 -1.54 1.20 0.00 0.00 173.24 174.20 1wjm n SER 6 N 3.08 1.58 0.00 5.45 3.41 -1.26 -4.99 113.62 120.89 1wjm n SER 6 Ca -0.18 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1wjm n SER 6 Cb 0.53 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wjm n GLY 7 N 1.13 2.29 3.34 5.00 0.00 -1.26 -5.07 105.19 110.62 1wjm n GLY 7 Ca 0.09 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 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 4.12 2.80 0.22 1.61 8.01 -1.26 -5.04 118.70 129.16 1wjm s GLU 8 Ca 0.00 -1.08 0.05 0.00 0.01 0.00 0.00 54.97 53.95 1wjm s GLU 8 Cb 0.00 -3.61 -0.03 0.00 -4.31 0.00 0.00 34.13 26.17 1wjm s GLU 8 CO 0.00 -0.66 0.31 1.14 0.01 0.00 0.00 175.26 176.06 1wjm s GLN 9 N 1.50 3.33 -0.22 1.61 1.03 -1.26 -4.59 119.66 121.06 1wjm s GLN 9 Ca 0.01 -0.78 -0.14 0.00 0.04 0.00 0.00 55.36 54.49 1wjm s GLN 9 Cb -0.19 -2.84 0.07 0.00 0.03 0.00 0.00 33.01 30.08 1wjm s GLN 9 CO 0.05 0.45 0.56 1.41 -2.54 0.00 0.00 175.29 175.22 1wjm s MET 10 N -3.76 0.58 -0.08 9.60 1.75 -1.02 -4.98 119.30 121.39 1wjm s MET 10 Ca 0.34 0.97 -0.04 0.00 -1.25 0.00 0.00 55.69 55.71 1wjm s MET 10 Cb -0.09 0.12 0.05 0.00 2.84 0.00 0.00 34.83 37.74 1wjm s MET 10 CO 0.28 -0.14 0.18 -1.83 -0.65 0.00 0.00 175.02 172.86 1wjm s GLU 11 N 1.27 0.09 -0.06 4.11 -1.05 -1.26 0.15 118.70 121.96 1wjm s GLU 11 Ca -0.08 0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.95 1wjm s GLU 11 Cb -0.06 -0.19 0.11 0.00 -0.44 0.00 0.00 34.13 33.55 1wjm s GLU 11 CO -0.13 -0.23 0.94 0.20 0.95 0.00 0.00 175.26 176.99 1wjm s GLY 12 N 1.76 -0.41 0.09 -3.83 0.00 -0.73 -5.01 107.32 99.18 1wjm s GLY 12 Ca -0.03 1.27 -0.32 0.00 0.00 0.00 0.00 44.72 45.64 1wjm s GLY 12 CO -0.06 0.50 1.84 1.03 0.00 0.00 0.00 173.10 176.40 1wjm n MET 13 N -0.03 2.68 -3.94 2.90 2.81 -1.26 -2.33 117.12 117.95 1wjm n MET 13 Ca -0.08 0.98 -0.09 0.00 -1.81 0.00 0.00 57.70 56.70 1wjm n MET 13 Cb 0.61 -2.86 -0.09 0.00 -0.71 0.00 0.00 33.22 30.16 1wjm n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wjm s LEU 14 N 2.91 1.83 -0.67 4.03 1.02 -1.13 -4.70 118.68 121.97 1wjm s LEU 14 Ca 0.84 -0.64 -0.16 0.00 0.02 0.00 0.00 54.13 54.19 1wjm s LEU 14 Cb -0.52 0.63 0.15 0.00 0.02 0.00 0.00 46.19 46.48 1wjm s LEU 14 CO 0.39 -0.57 0.67 0.00 0.02 0.00 0.00 176.35 176.86 1wjm s ARG 16 N 1.48 4.09 -0.36 0.00 3.52 -0.94 -3.30 118.95 123.44 1wjm s ARG 16 Ca 0.11 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 1wjm s ARG 16 Cb -0.21 -3.66 0.11 0.00 -1.56 0.00 0.00 34.95 29.62 1wjm s ARG 16 CO -0.01 -0.47 0.11 0.21 -0.81 0.00 0.00 175.30 174.33 1wjm s LYS 17 N 2.61 1.32 -0.22 5.12 2.20 -0.32 -3.48 119.74 126.98 1wjm s LYS 17 Ca 0.28 -1.77 -0.29 0.00 -0.36 0.00 0.00 55.97 53.83 1wjm s LYS 17 Cb -0.15 -2.82 -0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1wjm s LYS 17 CO 0.09 -0.99 1.94 -1.14 -0.36 0.00 0.00 175.35 174.88 1wjm s GLN 18 N 0.89 3.46 -0.21 4.03 0.74 -1.26 -3.12 119.66 124.19 1wjm s GLN 18 Ca 0.12 1.86 -0.14 0.00 0.05 0.00 0.00 55.36 57.25 1wjm s GLN 18 Cb -0.20 -4.22 -0.19 0.00 1.10 0.00 0.00 33.01 29.50 1wjm s GLN 18 CO -0.11 -1.71 0.08 0.39 -0.55 0.00 0.00 175.29 173.39 1wjm n GLU 19 N 8.27 0.63 -4.28 1.67 4.71 -1.22 -4.22 120.64 126.20 1wjm n GLU 19 Ca 0.24 0.39 -0.20 0.00 -0.01 0.00 0.00 57.16 57.58 1wjm n GLU 19 Cb 0.45 -1.66 -0.11 0.00 -1.01 0.00 0.00 31.44 29.11 1wjm n GLU 19 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1wjm s MET 20 N -2.46 1.14 -0.00 3.49 -1.94 -1.23 -3.11 119.30 115.18 1wjm s MET 20 Ca -0.30 -1.30 0.10 0.00 -1.71 0.00 0.00 55.69 52.48 1wjm s MET 20 Cb 0.08 -1.14 -0.12 0.00 2.01 0.00 0.00 34.83 35.66 1wjm s MET 20 CO 0.61 0.23 0.37 -1.91 -0.01 0.00 0.00 175.02 174.31 1wjm n GLU 21 N 0.51 2.81 0.00 2.03 2.13 -0.85 -3.50 120.64 123.78 1wjm n GLU 21 Ca -0.15 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1wjm n GLU 21 Cb 0.57 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 31.23 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 -1.40 0.00 -1.57 4.31 0.00 -0.81 -4.46 120.51 116.58 1wjm n ALA 22 Ca 0.01 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.90 1wjm n ALA 22 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.21 1.81 -1.13 0.00 3.72 -1.24 0.17 117.46 120.60 1wjm n PHE 23 Ca 0.00 0.44 -0.04 0.00 -0.05 0.00 0.00 57.45 57.80 1wjm n PHE 23 Cb 0.00 -2.48 -0.02 0.00 -0.94 0.00 0.00 39.48 36.04 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 5.42 0.45 3.70 1.37 0.00 -1.26 -4.93 105.19 109.94 1wjm n GLY 24 Ca 0.35 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.24 4.19 -0.03 1.61 2.47 0.46 -5.07 119.74 121.14 1wjm s LYS 25 Ca 0.00 0.02 -0.14 0.00 -1.56 0.00 0.00 55.97 54.29 1wjm s LYS 25 Cb 0.00 -3.48 -0.05 0.00 -1.46 0.00 0.00 37.83 32.84 1wjm s LYS 25 CO 0.00 0.13 0.39 -1.59 0.16 0.00 0.00 175.35 174.44 1wjm s LYS 26 N 0.81 3.93 0.10 4.03 -2.85 -1.26 -2.00 119.74 122.51 1wjm s LYS 26 Ca 0.15 0.36 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 1wjm s LYS 26 Cb -0.13 -3.25 -0.06 0.00 -2.06 0.00 0.00 37.83 32.33 1wjm s LYS 26 CO 0.05 0.63 1.01 0.00 0.10 0.00 0.00 175.35 177.14 1wjm s ALA 27 N -0.85 3.26 0.01 0.59 0.00 -1.18 -4.58 121.76 119.02 1wjm s ALA 27 Ca 0.23 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 1wjm s ALA 27 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1wjm s ALA 27 CO 0.12 -0.14 1.05 0.00 0.00 0.00 0.00 175.76 176.79 1wjm h ALA 28 N 5.85 -0.12 -3.02 0.00 0.00 -1.92 -3.36 119.26 116.68 1wjm h ALA 28 Ca -0.43 0.01 -0.65 0.00 0.00 0.00 0.00 54.91 53.85 1wjm h ALA 28 Cb 1.21 0.97 -0.22 0.00 0.00 0.00 0.00 17.79 19.74 1wjm h ALA 28 CO 0.73 -0.16 -0.64 -0.80 0.00 0.00 0.00 179.25 178.39 1wjm s ASN 29 N -3.16 5.04 -0.69 0.00 0.01 -1.26 -5.01 114.94 109.87 1wjm s ASN 29 Ca -0.01 -0.20 0.04 0.00 -0.71 0.00 0.00 52.86 51.98 1wjm s ASN 29 Cb 0.01 -1.89 0.32 0.00 0.41 0.00 0.00 41.25 40.10 1wjm s ASN 29 CO 0.06 0.01 1.07 0.54 -1.51 0.00 0.00 177.10 177.27 1wjm n ARG 30 N 4.64 3.51 -4.38 -0.60 1.74 -1.26 -4.66 116.66 115.65 1wjm n ARG 30 Ca -0.17 -4.78 -0.25 0.00 -0.77 0.00 0.00 57.85 51.88 1wjm n ARG 30 Cb 0.52 -2.29 -0.09 0.00 -1.02 0.00 0.00 32.46 29.57 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wjm s SER 31 N -2.86 3.98 0.06 0.55 1.04 -1.26 -4.96 113.70 110.25 1wjm s SER 31 Ca 0.45 -0.81 -0.30 0.00 0.48 0.00 0.00 55.95 55.77 1wjm s SER 31 Cb 0.23 -0.54 -0.05 0.00 0.10 0.00 0.00 66.02 65.77 1wjm s SER 31 CO -0.10 0.05 0.98 0.26 0.98 0.00 0.00 173.24 175.41 1wjm s TRP 32 N -2.20 3.72 -0.11 5.02 0.52 -1.26 -4.48 118.94 120.16 1wjm s TRP 32 Ca 0.28 1.73 -0.07 0.00 0.02 0.00 0.00 56.10 58.06 1wjm s TRP 32 Cb -0.06 -3.10 0.04 0.00 -1.15 0.00 0.00 33.47 29.19 1wjm s TRP 32 CO 0.16 0.03 0.26 -0.65 0.02 0.00 0.00 176.95 176.77 1wjm s GLN 33 N 0.50 0.26 -0.50 4.98 -0.21 -1.23 -5.05 119.66 118.42 1wjm s GLN 33 Ca 0.50 0.47 -0.27 0.00 0.02 0.00 0.00 55.36 56.07 1wjm s GLN 33 Cb -0.23 0.01 -0.02 0.00 1.00 0.00 0.00 33.01 33.77 1wjm s GLN 33 CO 0.29 -0.10 1.87 -0.80 -2.12 0.00 0.00 175.29 174.43 1wjm s ASN 34 N 0.75 5.45 -0.11 5.90 -0.87 -1.26 -2.20 114.94 122.59 1wjm s ASN 34 Ca -0.05 0.75 0.02 0.00 -1.57 0.00 0.00 52.86 52.01 1wjm s ASN 34 Cb -0.06 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.66 1wjm s ASN 34 CO -0.05 -2.16 -0.16 -0.69 -2.57 0.00 0.00 177.10 171.47 1wjm s VAL 35 N 8.46 1.58 -0.33 1.60 1.01 0.30 -4.86 120.40 128.16 1wjm s VAL 35 Ca 0.74 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1wjm s VAL 35 Cb -0.16 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1wjm s VAL 35 CO 0.26 0.46 1.56 -0.47 0.00 0.00 0.00 175.10 176.91 1wjm s TYR 36 N 0.98 2.19 -0.03 5.22 5.04 0.17 -2.83 117.35 128.08 1wjm s TYR 36 Ca -0.06 0.65 -0.30 0.00 -2.44 0.00 0.00 57.07 54.92 1wjm s TYR 36 Cb -0.15 -4.14 -0.03 0.00 0.35 0.00 0.00 41.96 37.99 1wjm s TYR 36 CO -0.02 -2.46 1.11 0.00 -1.34 0.00 0.00 175.55 172.84 1wjm s VAL 38 N 1.70 1.84 -0.03 0.00 1.01 0.23 -1.78 120.40 123.36 1wjm s VAL 38 Ca 0.54 -1.71 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 1wjm s VAL 38 Cb -0.23 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1wjm s VAL 38 CO 0.24 -0.32 0.19 -0.22 0.00 0.00 0.00 175.10 174.98 1wjm s LEU 39 N 1.19 4.37 0.00 3.92 0.20 0.41 0.19 118.68 128.97 1wjm s LEU 39 Ca 0.01 0.41 0.00 0.00 0.69 0.00 0.00 54.13 55.24 1wjm s LEU 39 Cb -0.19 -2.52 0.00 0.00 -0.43 0.00 0.00 46.19 43.05 1wjm s LEU 39 CO -0.09 0.29 0.00 -1.14 -0.29 0.00 0.00 176.35 175.12 1wjm n ARG 40 N 1.19 0.00 -0.72 1.98 3.00 0.76 -2.44 116.66 120.43 1wjm n ARG 40 Ca -0.13 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.38 1wjm n ARG 40 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.93 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 0.94 -2.58 -0.14 5.12 -1.26 -3.60 116.66 115.13 1wjm n ARG 41 Ca 0.00 -1.33 -0.07 0.00 -1.93 0.00 0.00 57.85 54.52 1wjm n ARG 41 Cb 0.00 -2.58 0.04 0.00 -1.16 0.00 0.00 32.46 28.76 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wjm n GLY 42 N 4.46 0.09 3.64 -0.13 0.00 -1.26 -4.99 105.19 107.00 1wjm n GLY 42 Ca 0.41 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.55 -1.00 -0.38 1.61 1.04 -1.24 -2.57 113.70 107.62 1wjm s SER 43 Ca 0.02 1.53 -0.05 0.00 0.48 0.00 0.00 55.95 57.93 1wjm s SER 43 Cb -0.00 1.65 0.08 0.00 0.10 0.00 0.00 66.02 67.85 1wjm s SER 43 CO 0.31 -0.23 0.16 -0.22 0.98 0.00 0.00 173.24 174.24 1wjm s LEU 44 N 2.00 4.78 0.00 2.42 2.96 -0.50 -0.17 118.68 130.17 1wjm s LEU 44 Ca -0.09 -1.56 -0.05 0.00 -0.22 0.00 0.00 54.13 52.21 1wjm s LEU 44 Cb -0.07 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1wjm s LEU 44 CO -0.20 -0.44 0.24 -0.83 -1.32 0.00 0.00 176.35 173.80 1wjm s GLY 45 N 1.73 2.22 -0.11 7.98 0.00 0.51 -0.78 107.32 118.88 1wjm s GLY 45 Ca 0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 1wjm s GLY 45 CO -0.00 -0.47 0.02 -1.36 0.00 0.00 0.00 173.10 171.28 1wjm s PHE 46 N -1.31 3.20 0.18 1.90 0.08 -1.26 0.75 117.98 121.52 1wjm s PHE 46 Ca 0.28 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.44 1wjm s PHE 46 Cb -0.13 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1wjm s PHE 46 CO 0.17 0.40 0.19 0.71 -0.10 0.00 0.00 175.22 176.59 1wjm s TYR 47 N -0.61 0.82 0.06 0.36 1.51 -0.60 -3.26 117.35 115.63 1wjm s TYR 47 Ca 0.10 -1.13 -0.31 0.00 -1.01 0.00 0.00 57.07 54.73 1wjm s TYR 47 Cb -0.12 -0.33 -0.18 0.00 -0.11 0.00 0.00 41.96 41.22 1wjm s TYR 47 CO 0.02 -0.68 1.57 -0.22 -1.11 0.00 0.00 175.55 175.14 1wjm h LYS 48 N 2.62 -0.72 0.00 -0.62 3.64 -1.87 0.47 116.57 120.08 1wjm h LYS 48 Ca -0.33 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 1wjm h LYS 48 Cb 1.23 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1wjm h LYS 48 CO 0.51 -0.46 0.05 -0.40 -2.27 0.00 0.00 179.45 176.88 1wjm n ASP 49 N -5.39 -1.02 0.23 4.20 5.68 -1.26 -3.86 116.55 115.12 1wjm n ASP 49 Ca -0.12 -1.94 0.16 0.00 -0.50 0.00 0.00 54.79 52.38 1wjm n ASP 49 Cb 0.32 1.77 0.68 0.00 -1.14 0.00 0.00 41.12 42.75 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 1.90 1.00 0.00 2.12 0.00 -1.95 0.11 119.26 122.43 1wjm h ALA 50 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1wjm h ALA 50 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1wjm h ALA 50 CO 0.22 0.00 -0.60 0.87 0.00 0.00 0.00 179.25 179.74 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 1.79 -1.99 -2.78 116.57 113.59 1wjm h LYS 51 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1wjm h LYS 51 Cb 0.35 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1wjm h LYS 51 CO 0.00 0.18 -1.50 0.00 -1.08 0.00 0.00 179.45 177.06 1wjm n ALA 52 N -2.20 1.87 -0.03 3.86 0.00 -0.29 -3.12 120.51 120.60 1wjm n ALA 52 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 53.44 52.68 1wjm n ALA 52 Cb 0.64 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 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 1.36 0.25 -0.58 0.00 0.00 -1.09 1.47 119.26 120.67 1wjm h ALA 53 Ca -0.19 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.09 1wjm h ALA 53 Cb 1.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1wjm h ALA 53 CO 0.05 0.50 -0.01 1.03 0.00 0.00 0.00 179.25 180.82 1wjm h SER 54 N 0.30 1.00 0.38 0.00 0.87 -1.63 -1.21 113.55 113.26 1wjm h SER 54 Ca -0.04 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1wjm h SER 54 Cb 1.24 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1wjm h SER 54 CO 0.12 1.06 0.00 0.00 -0.53 0.00 0.00 176.83 177.48 1wjm n ALA 55 N -2.48 2.38 -2.24 6.23 0.00 -1.18 -4.86 120.51 118.35 1wjm n ALA 55 Ca 0.03 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1wjm n ALA 55 Cb 0.35 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 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 0.92 -0.15 3.56 0.00 0.00 -0.46 -4.97 105.19 104.09 1wjm n GLY 56 Ca 0.15 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.73 5.16 0.30 1.61 1.01 0.49 -4.99 120.40 121.24 1wjm s VAL 57 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1wjm s VAL 57 Cb 0.00 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1wjm s VAL 57 CO 0.00 -0.03 1.08 -2.16 0.00 0.00 0.00 175.10 173.98 1wjm s PRO 58 N 2.07 4.58 0.08 2.72 0.04 -1.26 -4.31 135.00 138.91 1wjm s PRO 58 Ca 0.13 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1wjm s PRO 58 Cb -0.16 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1wjm s PRO 58 CO 0.11 0.18 1.30 -0.92 0.04 0.00 0.00 177.00 177.71 1wjm h TYR 59 N 3.63 -0.98 0.00 0.56 3.20 -1.84 -3.30 116.97 118.25 1wjm h TYR 59 Ca -0.47 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.46 1wjm h TYR 59 Cb 1.21 0.48 0.00 0.00 1.54 0.00 0.00 36.73 39.96 1wjm h TYR 59 CO 0.59 -0.24 0.00 0.72 -1.64 0.00 0.00 178.16 177.59 1wjm n HIS 60 N -4.19 0.00 -0.12 -3.82 8.25 -1.26 -4.84 115.22 109.24 1wjm n HIS 60 Ca -0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1wjm n HIS 60 Cb 0.16 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.26 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 -0.15 0.86 3.55 -1.41 0.00 -1.24 -5.02 105.19 101.78 1wjm n GLY 61 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.88 2.70 1.02 1.61 2.02 -1.26 -4.95 118.70 118.95 1wjm s GLU 62 Ca 0.00 0.60 -0.23 0.00 0.02 0.00 0.00 54.97 55.37 1wjm s GLU 62 Cb 0.00 -4.36 -0.12 0.00 0.10 0.00 0.00 34.13 29.75 1wjm s GLU 62 CO 0.00 -2.65 -0.99 1.33 0.02 0.00 0.00 175.26 172.97 1wjm n VAL 63 N 7.17 0.00 -1.56 2.63 0.24 -1.26 -4.47 118.33 121.08 1wjm n VAL 63 Ca 0.19 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.34 62.01 1wjm n VAL 63 Cb 0.52 -0.15 0.08 0.00 -1.47 0.00 0.00 33.84 32.82 1wjm n VAL 63 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wjm s PRO 64 N -2.36 2.36 -0.22 7.34 0.04 -1.26 -4.72 135.00 136.18 1wjm s PRO 64 Ca 0.42 0.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1wjm s PRO 64 Cb -0.02 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1wjm s PRO 64 CO 0.70 -1.45 0.03 0.14 0.04 0.00 0.00 177.00 176.46 1wjm s VAL 65 N -3.12 4.12 0.31 -0.36 -7.23 0.04 -4.89 120.40 109.27 1wjm s VAL 65 Ca 0.60 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.23 1wjm s VAL 65 Cb -0.14 -2.89 -0.12 0.00 0.56 0.00 0.00 36.38 33.79 1wjm s VAL 65 CO 0.54 0.39 1.52 -0.24 -0.31 0.00 0.00 175.10 177.01 1wjm n SER 66 N 4.50 3.63 -2.85 4.85 2.88 -1.26 -1.41 113.62 123.95 1wjm n SER 66 Ca -0.17 1.17 -0.37 0.00 -1.33 0.00 0.00 58.87 58.17 1wjm n SER 66 Cb 0.52 -1.57 0.03 0.00 -0.75 0.00 0.00 64.21 62.43 1wjm n SER 66 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wjm n LEU 67 N 1.59 6.92 0.00 2.46 4.77 -1.06 -4.84 117.00 126.85 1wjm n LEU 67 Ca 0.07 -4.94 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 1wjm n LEU 67 Cb 0.37 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1wjm n LEU 67 CO 0.64 1.87 0.00 0.00 -1.33 0.00 0.00 177.39 178.57 1wjm n ALA 68 N -0.51 0.00 1.01 -1.18 0.00 -1.26 -3.52 120.51 115.05 1wjm n ALA 68 Ca 0.50 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.97 1wjm n ALA 68 Cb 0.32 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.86 1wjm n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wjm n ARG 69 N 0.00 1.66 -0.92 0.00 5.12 -1.26 -4.32 116.66 116.94 1wjm n ARG 69 Ca 0.00 -0.69 -0.36 0.00 -1.93 0.00 0.00 57.85 54.87 1wjm n ARG 69 Cb 0.00 -1.40 0.07 0.00 -1.16 0.00 0.00 32.46 29.97 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wjm n ALA 70 N 0.08 -5.01 -2.46 7.54 0.00 -1.26 -4.77 120.51 114.63 1wjm n ALA 70 Ca 0.06 -1.03 -0.27 0.00 0.00 0.00 0.00 53.44 52.21 1wjm n ALA 70 Cb 0.31 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 1wjm n ALA 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wjm s GLN 71 N -2.46 1.41 -0.21 0.00 -2.07 0.29 -4.91 119.66 111.71 1wjm s GLN 71 Ca 0.43 -1.08 -0.02 0.00 -1.82 0.00 0.00 55.36 52.87 1wjm s GLN 71 Cb -0.07 -1.62 0.06 0.00 -1.09 0.00 0.00 33.01 30.29 1wjm s GLN 71 CO 0.72 0.40 0.04 0.20 -1.32 0.00 0.00 175.29 175.33 1wjm s GLY 72 N -1.48 0.78 0.14 2.60 0.00 -1.26 -1.31 107.32 106.79 1wjm s GLY 72 Ca 0.09 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.99 1wjm s GLY 72 CO 0.03 1.42 -0.09 -0.45 0.00 0.00 0.00 173.10 174.01 1wjm s SER 73 N 1.80 1.67 0.58 1.64 0.15 -0.87 -4.99 113.70 113.68 1wjm s SER 73 Ca -0.00 -1.02 -0.16 0.00 0.70 0.00 0.00 55.95 55.47 1wjm s SER 73 Cb -0.17 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1wjm s SER 73 CO -0.10 -0.36 1.06 -0.69 1.20 0.00 0.00 173.24 174.34 1wjm s VAL 74 N -3.39 3.81 -1.14 4.45 1.01 -1.26 0.96 120.40 124.84 1wjm s VAL 74 Ca 0.16 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 62.99 1wjm s VAL 74 Cb 0.03 -3.39 0.25 0.00 0.00 0.00 0.00 36.38 33.27 1wjm s VAL 74 CO -0.00 -0.48 1.90 0.00 0.00 0.00 0.00 175.10 176.52 1wjm n ALA 75 N -1.92 6.00 -0.21 5.51 0.00 0.52 -4.35 120.51 126.06 1wjm n ALA 75 Ca 0.09 -4.49 -0.00 0.00 0.00 0.00 0.00 53.44 49.04 1wjm n ALA 75 Cb 0.53 -2.46 0.07 0.00 0.00 0.00 0.00 19.45 17.60 1wjm n ALA 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wjm h PHE 76 N 4.73 -0.24 -0.76 0.00 0.04 -1.93 -1.30 116.94 117.49 1wjm h PHE 76 Ca 0.49 0.05 0.08 0.00 2.80 0.00 0.00 57.97 61.39 1wjm h PHE 76 Cb 0.41 0.20 -0.11 0.00 2.20 0.00 0.00 35.95 38.66 1wjm h PHE 76 CO 1.33 -0.24 -0.57 -0.44 -0.60 0.00 0.00 178.31 177.79 1wjm h ASP 77 N 0.03 -2.02 -0.36 2.17 5.19 -1.96 -3.37 116.42 116.11 1wjm h ASP 77 Ca 0.31 0.29 -0.64 0.00 -0.62 0.00 0.00 57.03 56.37 1wjm h ASP 77 Cb 0.48 0.87 -0.05 0.00 0.18 0.00 0.00 39.33 40.82 1wjm h ASP 77 CO -0.61 -0.30 1.51 0.00 -3.12 0.00 0.00 179.24 176.72 1wjm n TYR 78 N -5.31 1.09 -0.10 4.55 4.19 -0.49 -4.76 117.16 116.33 1wjm n TYR 78 Ca 0.00 0.49 -0.20 0.00 3.31 0.00 0.00 57.90 61.50 1wjm n TYR 78 Cb 0.30 -2.40 -0.12 0.00 0.49 0.00 0.00 39.34 37.61 1wjm n TYR 78 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1wjm n ARG 79 N 8.08 0.67 0.00 2.98 0.63 -1.26 -4.66 116.66 123.10 1wjm n ARG 79 Ca 0.54 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1wjm n ARG 79 Cb 0.09 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.43 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1wjm n LYS 80 N -3.45 0.00 -1.09 -0.14 4.76 -1.26 -4.70 118.16 112.28 1wjm n LYS 80 Ca -0.43 0.33 -0.29 0.00 -2.87 0.00 0.00 58.31 55.04 1wjm n LYS 80 Cb 0.98 -1.07 0.22 0.00 -1.84 0.00 0.00 35.03 33.32 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 -1.30 -0.64 0.12 1.97 0.52 -1.26 -5.08 118.95 113.28 1wjm s ARG 81 Ca 0.00 0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.40 1wjm s ARG 81 Cb 0.00 -1.64 -0.04 0.00 0.52 0.00 0.00 34.95 33.78 1wjm s ARG 81 CO 0.00 -3.37 -0.08 0.15 0.02 0.00 0.00 175.30 172.01 1wjm s LYS 82 N -5.21 0.93 -0.83 3.54 1.02 -1.26 -4.90 119.74 113.02 1wjm s LYS 82 Ca 0.69 -1.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.27 1wjm s LYS 82 Cb -0.13 -0.40 -0.00 0.00 -0.52 0.00 0.00 37.83 36.77 1wjm s LYS 82 CO 0.57 0.03 0.69 0.72 -0.92 0.00 0.00 175.35 176.43 1wjm n HIS 83 N -0.08 -2.53 -3.96 3.18 8.25 -1.26 -4.62 115.22 114.20 1wjm n HIS 83 Ca -0.11 0.95 -0.14 0.00 -0.26 0.00 0.00 57.72 58.15 1wjm n HIS 83 Cb 0.61 -3.60 -0.15 0.00 1.12 0.00 0.00 29.99 27.97 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 -3.07 0.14 0.07 1.59 1.01 -1.26 -1.13 120.40 117.75 1wjm s VAL 84 Ca 0.08 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1wjm s VAL 84 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1wjm s VAL 84 CO 0.81 0.06 -0.16 0.72 0.00 0.00 0.00 175.10 176.53 1wjm s PHE 85 N 0.18 1.38 -0.23 5.22 -0.71 -0.94 0.19 117.98 123.08 1wjm s PHE 85 Ca -0.01 -0.43 -0.11 0.00 -1.04 0.00 0.00 56.93 55.33 1wjm s PHE 85 Cb -0.03 -0.78 -0.05 0.00 -1.21 0.00 0.00 43.02 40.95 1wjm s PHE 85 CO -0.01 0.09 0.20 0.21 -1.34 0.00 0.00 175.22 174.38 1wjm s LYS 86 N -1.65 4.10 -0.33 1.99 2.20 0.27 -2.62 119.74 123.71 1wjm s LYS 86 Ca 0.01 -0.17 -0.08 0.00 -0.36 0.00 0.00 55.97 55.37 1wjm s LYS 86 Cb -0.10 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1wjm s LYS 86 CO 0.03 0.07 0.12 -1.17 -0.36 0.00 0.00 175.35 174.03 1wjm s LEU 87 N 1.03 4.22 -0.27 5.43 2.96 0.37 -2.04 118.68 130.38 1wjm s LEU 87 Ca 0.10 -0.91 -0.05 0.00 -0.22 0.00 0.00 54.13 53.04 1wjm s LEU 87 Cb -0.13 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1wjm s LEU 87 CO 0.05 -0.28 0.04 -0.83 -1.32 0.00 0.00 176.35 174.00 1wjm s GLY 88 N 1.48 1.73 0.35 7.98 0.00 -0.43 0.89 107.32 119.32 1wjm s GLY 88 Ca 0.01 -1.41 -0.06 0.00 0.00 0.00 0.00 44.72 43.26 1wjm s GLY 88 CO 0.04 0.59 0.36 1.04 0.00 0.00 0.00 173.10 175.13 1wjm n LEU 89 N 4.82 0.00 -0.58 0.66 4.77 0.19 0.11 117.00 126.97 1wjm n LEU 89 Ca -0.15 -0.39 0.13 0.00 -0.03 0.00 0.00 56.01 55.57 1wjm n LEU 89 Cb 0.48 -0.31 0.34 0.00 -2.33 0.00 0.00 43.42 41.60 1wjm n LEU 89 CO 0.30 -1.16 0.72 0.00 -1.33 0.00 0.00 177.39 175.92 1wjm n GLN 90 N -2.29 1.68 -0.67 3.23 10.64 -1.26 -3.75 117.38 124.96 1wjm n GLN 90 Ca 0.05 -1.16 0.04 0.00 -1.83 0.00 0.00 57.00 54.09 1wjm n GLN 90 Cb 0.18 -1.48 0.28 0.00 -0.86 0.00 0.00 30.24 28.36 1wjm n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wjm n ASP 91 N 0.35 4.06 -1.42 2.61 2.03 -1.26 -4.90 116.55 118.01 1wjm n ASP 91 Ca 0.16 -3.17 -0.13 0.00 0.52 0.00 0.00 54.79 52.16 1wjm n ASP 91 Cb 0.43 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.20 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 -0.42 0.12 3.38 0.27 0.00 -1.25 -3.80 105.19 103.49 1wjm n GLY 92 Ca 0.28 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.38 2.94 -0.05 1.61 2.20 -1.26 -1.92 119.74 118.88 1wjm s LYS 93 Ca 0.00 -1.34 -0.04 0.00 -0.36 0.00 0.00 55.97 54.22 1wjm s LYS 93 Cb 0.00 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 1wjm s LYS 93 CO 0.00 -1.00 0.16 -1.21 -0.36 0.00 0.00 175.35 172.93 1wjm s GLU 94 N 1.62 3.41 0.08 4.03 8.01 -1.23 0.56 118.70 135.18 1wjm s GLU 94 Ca 0.04 -0.26 0.02 0.00 0.01 0.00 0.00 54.97 54.78 1wjm s GLU 94 Cb -0.24 -3.11 -0.04 0.00 -4.31 0.00 0.00 34.13 26.43 1wjm s GLU 94 CO 0.06 0.72 -0.06 0.71 0.01 0.00 0.00 175.26 176.69 1wjm s TYR 95 N -1.19 0.82 -0.13 1.61 2.02 0.26 -3.37 117.35 117.36 1wjm s TYR 95 Ca 0.22 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 1wjm s TYR 95 Cb -0.12 -0.48 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1wjm s TYR 95 CO 0.12 -0.16 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.32 1wjm s LEU 96 N -2.77 1.48 -0.03 -1.29 1.43 -1.18 -0.48 118.68 115.83 1wjm s LEU 96 Ca 0.08 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1wjm s LEU 96 Cb 0.03 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1wjm s LEU 96 CO -0.04 -0.08 -0.19 -0.36 0.23 0.00 0.00 176.35 175.91 1wjm s PHE 97 N 1.53 1.82 -0.28 0.29 0.08 -1.08 -1.17 117.98 119.17 1wjm s PHE 97 Ca 0.04 -0.46 -0.04 0.00 0.12 0.00 0.00 56.93 56.59 1wjm s PHE 97 Cb -0.13 -1.20 0.02 0.00 -0.57 0.00 0.00 43.02 41.14 1wjm s PHE 97 CO -0.09 -0.12 0.01 -1.14 -0.10 0.00 0.00 175.22 173.78 1wjm s GLN 98 N -0.17 2.87 0.78 0.44 0.74 -1.21 -2.21 119.66 120.90 1wjm s GLN 98 Ca 0.00 -0.98 -0.11 0.00 0.05 0.00 0.00 55.36 54.33 1wjm s GLN 98 Cb -0.10 -3.19 0.07 0.00 1.10 0.00 0.00 33.01 30.89 1wjm s GLN 98 CO 0.01 -0.46 1.14 0.00 -0.55 0.00 0.00 175.29 175.43 1wjm s ALA 99 N 1.39 2.78 0.33 1.58 0.00 -0.29 -3.63 121.76 123.92 1wjm s ALA 99 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1wjm s ALA 99 Cb -0.17 -2.88 0.58 0.00 0.00 0.00 0.00 23.12 20.65 1wjm s ALA 99 CO -0.01 -1.57 1.85 1.57 0.00 0.00 0.00 175.76 177.60 1wjm h LYS 100 N -0.94 0.48 0.00 0.00 2.10 -1.86 -3.46 116.57 112.90 1wjm h LYS 100 Ca -0.46 -0.12 0.10 0.00 -2.00 0.00 0.00 60.65 58.17 1wjm h LYS 100 Cb 1.32 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1wjm h LYS 100 CO 0.65 0.56 0.48 -0.25 -2.00 0.00 0.00 179.45 178.88 1wjm n ASP 101 N -4.24 -1.82 -0.25 7.07 8.00 -1.26 -5.00 116.55 119.05 1wjm n ASP 101 Ca 0.01 -2.06 0.17 0.00 0.71 0.00 0.00 54.79 53.61 1wjm n ASP 101 Cb 0.28 2.99 0.47 0.00 -0.02 0.00 0.00 41.12 44.85 1wjm n ASP 101 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wjm h GLU 102 N 0.00 0.47 0.00 -1.24 5.08 -1.91 0.11 114.58 117.10 1wjm h GLU 102 Ca -0.28 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1wjm h GLU 102 Cb 1.16 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1wjm h GLU 102 CO 0.37 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.69 1wjm n ALA 103 N -2.49 -0.46 -0.29 3.43 0.00 -1.26 0.15 120.51 119.59 1wjm n ALA 103 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1wjm n ALA 103 Cb 0.63 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.34 1wjm n ALA 103 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wjm h GLU 104 N 0.00 0.23 0.13 0.00 4.57 -1.86 0.31 114.58 117.96 1wjm h GLU 104 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1wjm h GLU 104 Cb 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1wjm h GLU 104 CO 0.00 0.15 -0.06 1.98 -1.18 0.00 0.00 179.01 179.90 1wjm h MET 105 N 0.24 -0.16 -0.96 1.92 4.05 -0.68 -0.99 114.93 118.34 1wjm h MET 105 Ca 0.53 0.01 0.29 0.00 -0.28 0.00 0.00 59.70 60.25 1wjm h MET 105 Cb 1.02 0.04 -0.17 0.00 -0.80 0.00 0.00 31.60 31.69 1wjm h MET 105 CO -0.62 -0.11 0.19 1.03 0.23 0.00 0.00 176.91 177.63 1wjm h SER 106 N -0.19 -0.19 0.31 1.39 0.87 0.19 0.45 113.55 116.38 1wjm h SER 106 Ca -0.02 0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1wjm h SER 106 Cb 0.13 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1wjm h SER 106 CO 0.03 -0.32 -0.28 0.28 -0.53 0.00 0.00 176.83 176.01 1wjm h SER 107 N 0.06 -0.75 -0.38 6.23 0.02 -0.34 -1.49 113.55 116.91 1wjm h SER 107 Ca 0.64 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.68 1wjm h SER 107 Cb 1.40 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 64.14 1wjm h SER 107 CO -0.82 -0.41 -0.26 -0.50 -1.14 0.00 0.00 176.83 173.70 1wjm h TRP 108 N -0.61 -0.81 -0.87 3.45 4.06 0.13 0.59 115.95 121.89 1wjm h TRP 108 Ca -0.02 0.05 0.11 0.00 2.06 0.00 0.00 58.89 61.10 1wjm h TRP 108 Cb 0.55 0.40 -0.13 0.00 -1.00 0.00 0.00 29.16 28.99 1wjm h TRP 108 CO -0.16 -0.17 -0.48 -0.07 -3.56 0.00 0.00 178.44 174.00 1wjm h LEU 109 N -0.04 -1.72 -1.36 -4.49 -0.00 -1.23 2.29 115.31 108.76 1wjm h LEU 109 Ca 0.06 0.30 0.23 0.00 -0.00 0.00 0.00 57.88 58.47 1wjm h LEU 109 Cb 0.20 0.81 -0.09 0.00 -0.00 0.00 0.00 40.66 41.58 1wjm h LEU 109 CO -0.38 -0.29 0.64 -0.09 -0.00 0.00 0.00 178.44 178.32 1wjm h ARG 110 N -0.08 0.45 0.08 1.13 2.43 0.48 1.09 114.38 119.97 1wjm h ARG 110 Ca 0.23 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1wjm h ARG 110 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1wjm h ARG 110 CO -0.88 0.30 -0.04 0.28 -1.51 0.00 0.00 179.97 178.12 1wjm h VAL 111 N 0.46 0.03 -0.90 0.20 2.07 0.75 -1.83 116.25 117.03 1wjm h VAL 111 Ca 0.55 -0.94 0.23 0.00 0.82 0.00 0.00 66.70 67.36 1wjm h VAL 111 Cb 1.28 0.05 -0.13 0.00 -1.52 0.00 0.00 31.29 30.97 1wjm h VAL 111 CO -0.26 0.01 0.35 0.58 0.02 0.00 0.00 177.57 178.26 1wjm h VAL 112 N -1.03 0.40 -0.40 2.57 2.07 0.36 1.20 116.25 121.42 1wjm h VAL 112 Ca -0.01 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1wjm h VAL 112 Cb 0.10 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1wjm h VAL 112 CO 0.02 0.06 -0.17 0.78 0.02 0.00 0.00 177.57 178.28 1wjm h ASN 113 N 0.32 0.74 0.57 0.57 2.35 0.11 0.69 115.58 120.93 1wjm h ASN 113 Ca 0.57 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1wjm h ASN 113 Cb 1.14 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1wjm h ASN 113 CO -0.58 0.92 0.00 0.00 -1.65 0.00 0.00 177.43 176.11 1wjm h ALA 114 N 1.15 1.00 0.10 -0.83 0.00 0.22 0.30 119.26 121.20 1wjm h ALA 114 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.66 1wjm h ALA 114 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1wjm h ALA 114 CO 0.05 0.00 -1.99 0.00 0.00 0.00 0.00 179.25 177.30 1wjm n ALA 115 N -2.02 1.02 -0.03 0.00 0.00 0.43 -2.82 120.51 117.08 1wjm n ALA 115 Ca -0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 53.44 52.70 1wjm n ALA 115 Cb 0.20 -0.66 0.09 0.00 0.00 0.00 0.00 19.45 19.07 1wjm n ALA 115 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1wjm h ILE 116 N 0.06 1.29 -0.09 0.00 2.04 -0.26 -1.87 117.51 118.67 1wjm h ILE 116 Ca -0.42 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 1wjm h ILE 116 Cb 2.03 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1wjm h ILE 116 CO 0.08 0.49 -0.06 0.00 0.00 0.00 0.00 178.15 178.65 1wjm h ALA 117 N 1.06 0.13 -0.69 1.87 0.00 -0.58 -3.09 119.26 117.97 1wjm h ALA 117 Ca 0.05 -0.27 -0.51 0.00 0.00 0.00 0.00 54.91 54.19 1wjm h ALA 117 Cb 0.87 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 18.43 1wjm h ALA 117 CO 0.08 -0.08 0.61 0.43 0.00 0.00 0.00 179.25 180.29 1wjm n SER 118 N -4.71 6.93 -2.03 0.00 7.64 -1.13 -4.92 113.62 115.40 1wjm n SER 118 Ca -0.07 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.43 1wjm n SER 118 Cb 0.29 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 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 0.03 0.05 3.80 0.23 0.00 -0.71 -4.74 105.19 103.85 1wjm n GLY 119 Ca 0.46 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 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 0.19 1.85 -0.27 1.61 0.04 -1.26 -4.65 135.00 132.51 1wjm s PRO 120 Ca 0.00 0.55 -0.05 0.00 0.04 0.00 0.00 61.00 61.55 1wjm s PRO 120 Cb 0.00 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1wjm s PRO 120 CO 0.00 -1.76 0.18 0.43 0.04 0.00 0.00 177.00 175.89 1wjm n SER 121 N -3.52 -6.55 -3.65 6.66 7.64 -1.26 -4.99 113.62 107.96 1wjm n SER 121 Ca 0.07 0.82 -0.20 0.00 1.01 0.00 0.00 58.87 60.57 1wjm n SER 121 Cb 0.57 -4.31 -0.04 0.00 -1.01 0.00 0.00 64.21 59.42 1wjm n SER 121 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wjm n SER 122 N 0.18 2.81 0.00 6.43 3.41 -1.26 -5.14 113.62 120.05 1wjm n SER 122 Ca 0.04 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1wjm n SER 122 Cb 0.14 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49