#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjm s SER 2 N 0.00 1.04 -0.42 1.61 0.15 -1.26 -5.10 113.70 109.72 1wjm s SER 2 Ca 0.00 -2.21 -0.16 0.00 0.70 0.00 0.00 55.95 54.28 1wjm s SER 2 Cb 0.00 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1wjm s SER 2 CO 0.00 -0.20 0.38 -0.55 1.20 0.00 0.00 173.24 174.07 1wjm s SER 3 N 0.81 6.15 0.00 5.45 0.15 -1.26 -5.03 113.70 119.98 1wjm s SER 3 Ca 0.25 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1wjm s SER 3 Cb -0.07 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1wjm s SER 3 CO -0.08 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1wjm n GLY 4 N 5.14 4.50 3.83 9.45 0.00 -1.26 -5.15 105.19 121.71 1wjm n GLY 4 Ca -0.09 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.54 6.72 0.12 1.61 0.15 -1.26 -5.00 113.70 115.50 1wjm s SER 5 Ca 0.00 0.85 -0.31 0.00 0.70 0.00 0.00 55.95 57.19 1wjm s SER 5 Cb 0.00 -2.22 -0.10 0.00 -1.71 0.00 0.00 66.02 61.99 1wjm s SER 5 CO 0.00 0.31 1.58 0.77 1.20 0.00 0.00 173.24 177.10 1wjm h SER 6 N 4.94 -1.35 -2.91 5.45 4.64 -2.03 -3.48 113.55 118.81 1wjm h SER 6 Ca -0.51 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1wjm h SER 6 Cb 1.22 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1wjm h SER 6 CO 0.62 -0.49 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1wjm n GLY 7 N -1.46 4.33 3.50 -0.77 0.00 -1.26 -4.95 105.19 104.57 1wjm n GLY 7 Ca -0.06 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.30 3.22 0.32 1.61 8.01 -1.26 -5.02 118.70 122.28 1wjm s GLU 8 Ca 0.00 -0.48 0.04 0.00 0.01 0.00 0.00 54.97 54.54 1wjm s GLU 8 Cb 0.00 -4.15 -0.02 0.00 -4.31 0.00 0.00 34.13 25.65 1wjm s GLU 8 CO 0.00 -1.74 0.47 1.14 0.01 0.00 0.00 175.26 175.14 1wjm s GLN 9 N 4.32 3.32 -0.29 1.61 1.03 -1.26 -4.66 119.66 123.73 1wjm s GLN 9 Ca 0.28 -0.69 -0.16 0.00 0.04 0.00 0.00 55.36 54.83 1wjm s GLN 9 Cb -0.13 -2.78 0.13 0.00 0.03 0.00 0.00 33.01 30.26 1wjm s GLN 9 CO 0.15 0.18 0.90 1.41 -2.54 0.00 0.00 175.29 175.39 1wjm s MET 10 N -4.18 0.45 -0.09 9.60 1.75 -1.18 -5.01 119.30 120.64 1wjm s MET 10 Ca 0.40 0.83 -0.04 0.00 -1.25 0.00 0.00 55.69 55.64 1wjm s MET 10 Cb -0.09 0.19 0.05 0.00 2.84 0.00 0.00 34.83 37.81 1wjm s MET 10 CO 0.32 -0.10 0.20 -1.83 -0.65 0.00 0.00 175.02 172.96 1wjm s GLU 11 N 1.65 0.12 -0.01 4.11 -1.05 -1.26 -0.05 118.70 122.20 1wjm s GLU 11 Ca -0.08 0.53 -0.29 0.00 -0.15 0.00 0.00 54.97 54.98 1wjm s GLU 11 Cb -0.05 -0.16 0.10 0.00 -0.44 0.00 0.00 34.13 33.59 1wjm s GLU 11 CO -0.17 -0.22 0.88 0.20 0.95 0.00 0.00 175.26 176.91 1wjm s GLY 12 N 1.71 -0.46 0.04 -3.83 0.00 -0.82 -5.01 107.32 98.95 1wjm s GLY 12 Ca -0.04 1.06 -0.32 0.00 0.00 0.00 0.00 44.72 45.42 1wjm s GLY 12 CO -0.07 0.38 1.88 1.03 0.00 0.00 0.00 173.10 176.32 1wjm n MET 13 N -0.18 2.64 -3.97 2.90 2.81 -1.26 -2.42 117.12 117.63 1wjm n MET 13 Ca -0.09 0.96 -0.09 0.00 -1.81 0.00 0.00 57.70 56.68 1wjm n MET 13 Cb 0.62 -2.86 -0.10 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 3.58 2.02 -0.68 4.03 1.02 -1.15 -4.66 118.68 122.83 1wjm s LEU 14 Ca 0.87 -0.63 -0.17 0.00 0.02 0.00 0.00 54.13 54.22 1wjm s LEU 14 Cb -0.53 0.43 0.15 0.00 0.02 0.00 0.00 46.19 46.26 1wjm s LEU 14 CO 0.43 -0.49 0.71 0.00 0.02 0.00 0.00 176.35 177.01 1wjm s ARG 16 N 1.70 4.14 -0.34 0.00 3.52 -0.87 -3.12 118.95 123.98 1wjm s ARG 16 Ca 0.13 0.63 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 1wjm s ARG 16 Cb -0.20 -3.64 0.10 0.00 -1.56 0.00 0.00 34.95 29.65 1wjm s ARG 16 CO -0.01 -0.41 0.08 0.21 -0.81 0.00 0.00 175.30 174.36 1wjm s LYS 17 N 2.49 1.23 -0.26 5.12 2.20 -0.12 -3.22 119.74 127.18 1wjm s LYS 17 Ca 0.28 -1.63 -0.28 0.00 -0.36 0.00 0.00 55.97 53.98 1wjm s LYS 17 Cb -0.15 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1wjm s LYS 17 CO 0.08 -0.97 2.15 -1.14 -0.36 0.00 0.00 175.35 175.12 1wjm s GLN 18 N 1.10 3.10 -0.10 4.03 0.74 -1.26 -2.70 119.66 124.57 1wjm s GLN 18 Ca 0.11 1.88 -0.04 0.00 0.05 0.00 0.00 55.36 57.35 1wjm s GLN 18 Cb -0.19 -4.35 -0.01 0.00 1.10 0.00 0.00 33.01 29.55 1wjm s GLN 18 CO -0.13 -2.14 -0.08 0.93 -0.55 0.00 0.00 175.29 173.32 1wjm h GLU 19 N 14.94 0.00 -6.71 1.67 4.39 -1.46 -3.35 114.58 124.07 1wjm h GLU 19 Ca -0.39 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.62 1wjm h GLU 19 Cb 1.23 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.64 1wjm h GLU 19 CO 0.99 0.00 -0.85 -1.64 -1.16 0.00 0.00 179.01 176.34 1wjm s MET 20 N -1.79 1.83 -0.01 2.33 -1.94 -1.05 -2.46 119.30 116.22 1wjm s MET 20 Ca -0.07 -1.10 0.18 0.00 -1.71 0.00 0.00 55.69 52.99 1wjm s MET 20 Cb 0.01 -2.04 -0.22 0.00 2.01 0.00 0.00 34.83 34.59 1wjm s MET 20 CO 0.10 0.51 0.66 -1.91 -0.01 0.00 0.00 175.02 174.37 1wjm n GLU 21 N 1.53 0.94 -3.61 2.03 2.13 -0.99 -2.15 120.64 120.53 1wjm n GLU 21 Ca -0.17 -0.05 0.02 0.00 0.66 0.00 0.00 57.16 57.62 1wjm n GLU 21 Cb 0.52 -1.37 -0.00 0.00 0.27 0.00 0.00 31.44 30.86 1wjm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wjm s ALA 22 N -2.85 -2.27 -0.17 4.31 0.00 -0.36 -4.50 121.76 115.91 1wjm s ALA 22 Ca 0.03 0.75 -0.37 0.00 0.00 0.00 0.00 51.96 52.37 1wjm s ALA 22 Cb 0.13 0.33 -0.14 0.00 0.00 0.00 0.00 23.12 23.44 1wjm s ALA 22 CO 0.74 -1.05 1.79 1.19 0.00 0.00 0.00 175.76 178.44 1wjm n PHE 23 N -0.48 2.17 -1.26 0.00 3.72 -1.22 0.94 117.46 121.33 1wjm n PHE 23 Ca -0.09 0.28 -0.09 0.00 -0.05 0.00 0.00 57.45 57.51 1wjm n PHE 23 Cb 0.63 -2.55 -0.04 0.00 -0.94 0.00 0.00 39.48 36.58 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 4.23 0.85 3.52 1.37 0.00 -1.26 -4.94 105.19 108.96 1wjm n GLY 24 Ca 0.24 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.75 3.73 0.03 1.61 2.36 0.27 -5.10 119.74 119.88 1wjm s LYS 25 Ca 0.00 -0.48 -0.11 0.00 -2.55 0.00 0.00 55.97 52.83 1wjm s LYS 25 Cb 0.00 -2.99 -0.05 0.00 -1.05 0.00 0.00 37.83 33.74 1wjm s LYS 25 CO 0.00 0.23 0.36 -1.59 1.55 0.00 0.00 175.35 175.90 1wjm s LYS 26 N 0.43 3.76 0.80 4.03 0.00 -1.26 -2.35 119.74 125.14 1wjm s LYS 26 Ca -0.02 0.20 -0.11 0.00 0.00 0.00 0.00 55.97 56.04 1wjm s LYS 26 Cb -0.14 -3.10 0.07 0.00 0.00 0.00 0.00 37.83 34.67 1wjm s LYS 26 CO 0.02 0.63 1.11 0.00 0.00 0.00 0.00 175.35 177.11 1wjm s ALA 27 N -1.25 2.09 0.00 0.59 0.00 -1.03 -4.57 121.76 117.59 1wjm s ALA 27 Ca 0.28 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1wjm s ALA 27 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1wjm s ALA 27 CO 0.15 -1.97 0.43 0.00 0.00 0.00 0.00 175.76 174.37 1wjm n ALA 28 N -3.63 -0.14 0.07 0.00 0.00 -1.26 -4.47 120.51 111.09 1wjm n ALA 28 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1wjm n ALA 28 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1wjm n ALA 28 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1wjm h ASN 29 N 0.00 -0.16 -4.65 0.00 -1.24 -1.94 -3.47 115.58 104.11 1wjm h ASN 29 Ca 0.00 0.01 -0.26 0.00 0.71 0.00 0.00 56.30 56.75 1wjm h ASN 29 Cb 0.00 0.04 0.12 0.00 0.73 0.00 0.00 38.32 39.21 1wjm h ASN 29 CO 0.00 -0.10 -0.54 -1.14 -1.29 0.00 0.00 177.43 174.36 1wjm n ARG 30 N -2.60 -5.24 -4.60 6.67 0.63 -1.26 -5.03 116.66 105.23 1wjm n ARG 30 Ca -0.02 0.62 -0.28 0.00 -0.92 0.00 0.00 57.85 57.25 1wjm n ARG 30 Cb 0.08 -4.99 -0.11 0.00 0.45 0.00 0.00 32.46 27.89 1wjm n ARG 30 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wjm s SER 31 N -3.74 3.82 -0.09 6.15 0.15 -1.26 -4.94 113.70 113.80 1wjm s SER 31 Ca 0.15 -1.35 -0.24 0.00 0.70 0.00 0.00 55.95 55.21 1wjm s SER 31 Cb -0.07 -0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 63.83 1wjm s SER 31 CO 0.54 -0.42 0.75 0.26 1.20 0.00 0.00 173.24 175.57 1wjm s TRP 32 N -2.71 3.55 -0.13 3.44 0.52 -1.26 -4.25 118.94 118.09 1wjm s TRP 32 Ca 0.35 1.27 -0.05 0.00 0.02 0.00 0.00 56.10 57.69 1wjm s TRP 32 Cb 0.09 -2.87 0.06 0.00 -1.15 0.00 0.00 33.47 29.60 1wjm s TRP 32 CO 0.18 0.01 0.27 -0.65 0.02 0.00 0.00 176.95 176.78 1wjm s GLN 33 N 1.12 0.18 -0.44 4.98 -0.21 -1.20 -5.04 119.66 119.05 1wjm s GLN 33 Ca 0.38 0.71 -0.27 0.00 0.02 0.00 0.00 55.36 56.21 1wjm s GLN 33 Cb -0.18 -0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.75 1wjm s GLN 33 CO 0.18 -0.25 2.13 -0.80 -2.12 0.00 0.00 175.29 174.43 1wjm s ASN 34 N 2.09 5.08 -0.12 5.90 -0.87 -1.26 -2.05 114.94 123.71 1wjm s ASN 34 Ca -0.02 1.08 0.03 0.00 -1.57 0.00 0.00 52.86 52.38 1wjm s ASN 34 Cb -0.11 -2.51 0.01 0.00 -0.02 0.00 0.00 41.25 38.61 1wjm s ASN 34 CO -0.09 -2.39 -0.21 -0.69 -2.57 0.00 0.00 177.10 171.15 1wjm s VAL 35 N 9.80 1.95 -0.36 1.60 1.01 0.11 -4.87 120.40 129.64 1wjm s VAL 35 Ca 0.87 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1wjm s VAL 35 Cb -0.20 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1wjm s VAL 35 CO 0.28 0.53 1.65 -0.47 0.00 0.00 0.00 175.10 177.08 1wjm s TYR 36 N 0.66 2.04 0.08 5.22 5.04 0.14 -2.95 117.35 127.57 1wjm s TYR 36 Ca -0.12 0.64 -0.30 0.00 -2.44 0.00 0.00 57.07 54.84 1wjm s TYR 36 Cb -0.16 -4.20 -0.06 0.00 0.35 0.00 0.00 41.96 37.88 1wjm s TYR 36 CO 0.02 -2.58 1.17 0.00 -1.34 0.00 0.00 175.55 172.82 1wjm s VAL 38 N 0.79 1.08 -0.09 0.00 1.01 0.16 -1.94 120.40 121.40 1wjm s VAL 38 Ca 0.57 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1wjm s VAL 38 Cb -0.29 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1wjm s VAL 38 CO 0.31 -0.41 0.28 -0.22 0.00 0.00 0.00 175.10 175.06 1wjm s LEU 39 N 1.56 4.38 -0.25 3.92 2.96 0.93 0.20 118.68 132.38 1wjm s LEU 39 Ca 0.03 0.66 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 1wjm s LEU 39 Cb -0.18 -2.34 0.15 0.00 0.50 0.00 0.00 46.19 44.32 1wjm s LEU 39 CO -0.15 0.29 1.18 -0.60 -1.32 0.00 0.00 176.35 175.76 1wjm s ARG 40 N -0.62 0.34 -1.17 1.98 6.06 -0.23 -3.09 118.95 122.22 1wjm s ARG 40 Ca 0.18 0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.63 1wjm s ARG 40 Cb -0.14 0.16 0.00 0.00 0.06 0.00 0.00 34.95 35.03 1wjm s ARG 40 CO 0.07 -0.08 0.00 -2.13 -2.50 0.00 0.00 175.30 170.66 1wjm n ARG 41 N 1.23 -1.50 -2.61 5.12 0.00 -1.26 0.69 116.66 118.33 1wjm n ARG 41 Ca -0.09 0.65 -0.05 0.00 -0.00 0.00 0.00 57.85 58.36 1wjm n ARG 41 Cb 0.57 -4.96 0.01 0.00 0.00 0.00 0.00 32.46 28.09 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wjm n GLY 42 N -0.35 0.54 2.79 5.14 0.00 -1.26 -5.05 105.19 107.00 1wjm n GLY 42 Ca -0.12 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 1wjm n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wjm s SER 43 N -3.01 0.19 -0.39 1.61 0.01 0.22 -3.29 113.70 109.03 1wjm s SER 43 Ca 0.10 0.11 -0.20 0.00 1.31 0.00 0.00 55.95 57.27 1wjm s SER 43 Cb -0.05 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.18 1wjm s SER 43 CO 0.13 -0.15 0.63 -0.22 0.41 0.00 0.00 173.24 174.04 1wjm s LEU 44 N 1.27 4.35 0.17 2.44 2.96 -0.75 -1.07 118.68 128.05 1wjm s LEU 44 Ca -0.07 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1wjm s LEU 44 Cb -0.13 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 1wjm s LEU 44 CO -0.04 -0.66 0.23 -0.83 -1.32 0.00 0.00 176.35 173.74 1wjm s GLY 45 N 1.87 1.65 -0.01 7.98 0.00 0.55 0.19 107.32 119.54 1wjm s GLY 45 Ca 0.23 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.89 1wjm s GLY 45 CO 0.16 -1.15 -0.23 -1.36 0.00 0.00 0.00 173.10 170.53 1wjm s PHE 46 N -1.79 2.42 0.21 1.90 0.08 -1.26 0.37 117.98 119.91 1wjm s PHE 46 Ca 0.33 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.90 1wjm s PHE 46 Cb -0.10 -1.51 -0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1wjm s PHE 46 CO 0.27 0.04 0.41 0.71 -0.10 0.00 0.00 175.22 176.55 1wjm s TYR 47 N -0.68 0.36 0.05 0.36 1.51 -0.76 -3.59 117.35 114.60 1wjm s TYR 47 Ca 0.11 -0.71 -0.32 0.00 -1.01 0.00 0.00 57.07 55.13 1wjm s TYR 47 Cb -0.10 0.10 -0.18 0.00 -0.11 0.00 0.00 41.96 41.67 1wjm s TYR 47 CO 0.00 -0.88 1.47 -0.22 -1.11 0.00 0.00 175.55 174.81 1wjm h LYS 48 N 2.35 -1.12 0.00 -0.62 3.64 -1.87 0.39 116.57 119.34 1wjm h LYS 48 Ca -0.29 0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.04 1wjm h LYS 48 Cb 1.25 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 1wjm h LYS 48 CO 0.40 -0.75 0.01 -0.40 -2.27 0.00 0.00 179.45 176.45 1wjm n ASP 49 N -5.16 -1.16 0.21 4.20 5.68 -1.26 -3.76 116.55 115.30 1wjm n ASP 49 Ca -0.14 -2.20 0.15 0.00 -0.50 0.00 0.00 54.79 52.09 1wjm n ASP 49 Cb 0.46 2.04 0.72 0.00 -1.14 0.00 0.00 41.12 43.20 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 0.27 119.26 122.60 1wjm h ALA 50 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wjm h ALA 50 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wjm h ALA 50 CO 0.26 0.00 -0.62 0.87 0.00 0.00 0.00 179.25 179.77 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 1.79 -2.00 -3.00 116.57 113.37 1wjm h LYS 51 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1wjm h LYS 51 Cb 0.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1wjm h LYS 51 CO 0.00 0.00 -1.62 0.00 -1.08 0.00 0.00 179.45 176.75 1wjm n ALA 52 N -2.07 2.35 -0.03 3.86 0.00 0.75 -3.39 120.51 121.99 1wjm n ALA 52 Ca 0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.77 1wjm n ALA 52 Cb 0.52 -0.83 -0.11 0.00 0.00 0.00 0.00 19.45 19.02 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 1.74 0.04 -0.56 0.00 0.00 -1.02 1.32 119.26 120.77 1wjm h ALA 53 Ca -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 1wjm h ALA 53 Cb 1.30 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1wjm h ALA 53 CO 0.01 0.06 0.16 1.03 0.00 0.00 0.00 179.25 180.52 1wjm h SER 54 N -0.49 0.79 0.50 0.00 0.87 -1.70 0.26 113.55 113.78 1wjm h SER 54 Ca -0.02 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1wjm h SER 54 Cb 0.95 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1wjm h SER 54 CO 0.04 0.75 0.00 0.00 -0.53 0.00 0.00 176.83 177.10 1wjm n ALA 55 N -2.46 2.37 -2.71 6.23 0.00 -1.22 -4.88 120.51 117.85 1wjm n ALA 55 Ca 0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1wjm n ALA 55 Cb 0.21 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.23 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 1.04 -0.34 3.55 0.00 0.00 0.08 -4.97 105.19 104.55 1wjm n GLY 56 Ca 0.13 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.01 5.20 0.10 1.61 1.01 0.44 -5.00 120.40 120.75 1wjm s VAL 57 Ca 0.17 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1wjm s VAL 57 Cb -0.07 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1wjm s VAL 57 CO 0.21 -0.04 1.15 -2.16 0.00 0.00 0.00 175.10 174.26 1wjm s PRO 58 N 1.95 4.50 0.08 2.72 0.04 -1.26 -4.34 135.00 138.69 1wjm s PRO 58 Ca 0.11 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.68 1wjm s PRO 58 Cb -0.17 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 1wjm s PRO 58 CO 0.11 -0.13 1.33 -0.92 0.04 0.00 0.00 177.00 177.44 1wjm h TYR 59 N 6.18 -1.07 -0.94 0.56 3.20 -1.85 -3.09 116.97 119.96 1wjm h TYR 59 Ca -0.43 0.06 -0.50 0.00 3.14 0.00 0.00 58.73 61.00 1wjm h TYR 59 Cb 1.21 0.51 -0.42 0.00 1.54 0.00 0.00 36.73 39.57 1wjm h TYR 59 CO 0.65 -0.29 -0.87 0.72 -1.64 0.00 0.00 178.16 176.73 1wjm n HIS 60 N -4.35 2.59 -1.79 -3.82 8.25 -1.26 -4.89 115.22 109.95 1wjm n HIS 60 Ca -0.02 -2.51 -0.13 0.00 -0.26 0.00 0.00 57.72 54.80 1wjm n HIS 60 Cb 0.20 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.57 0.59 3.89 -1.41 0.00 -1.17 -4.92 105.19 101.60 1wjm n GLY 61 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.86 3.45 0.40 1.61 2.02 -1.26 -5.05 118.70 116.01 1wjm s GLU 62 Ca 0.00 0.42 0.08 0.00 0.02 0.00 0.00 54.97 55.48 1wjm s GLU 62 Cb 0.00 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 1wjm s GLU 62 CO 0.00 -0.46 0.44 0.14 0.02 0.00 0.00 175.26 175.40 1wjm s VAL 63 N -2.99 2.98 0.20 2.63 -7.23 -1.26 -4.85 120.40 109.89 1wjm s VAL 63 Ca 0.52 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 1wjm s VAL 63 Cb -0.11 -3.05 -0.08 0.00 0.56 0.00 0.00 36.38 33.70 1wjm s VAL 63 CO 0.49 -0.03 1.11 -2.16 -0.31 0.00 0.00 175.10 174.19 1wjm s PRO 64 N -4.19 4.59 -0.16 4.82 0.04 -1.26 -4.67 135.00 134.18 1wjm s PRO 64 Ca 0.49 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 1wjm s PRO 64 Cb -0.06 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1wjm s PRO 64 CO 0.30 0.09 0.91 0.14 0.04 0.00 0.00 177.00 178.47 1wjm s VAL 65 N -0.39 4.82 0.10 -0.36 -7.23 0.13 -4.78 120.40 112.70 1wjm s VAL 65 Ca 0.49 1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 62.14 1wjm s VAL 65 Cb -0.30 -4.21 -0.08 0.00 0.56 0.00 0.00 36.38 32.35 1wjm s VAL 65 CO 0.36 -0.01 1.52 -0.55 -0.31 0.00 0.00 175.10 176.11 1wjm s SER 66 N 1.15 6.69 -0.34 4.85 0.15 -1.26 -1.81 113.70 123.13 1wjm s SER 66 Ca 0.42 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.50 1wjm s SER 66 Cb -0.17 -2.58 0.32 0.00 -1.71 0.00 0.00 66.02 61.88 1wjm s SER 66 CO 0.13 -0.78 1.83 0.18 1.20 0.00 0.00 173.24 175.80 1wjm n LEU 67 N 4.58 6.14 -4.57 3.45 4.77 -1.21 -4.83 117.00 125.33 1wjm n LEU 67 Ca 0.14 -3.21 -0.43 0.00 -0.03 0.00 0.00 56.01 52.47 1wjm n LEU 67 Cb 0.41 -0.91 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 1wjm n LEU 67 CO 0.61 1.10 0.73 0.00 -1.33 0.00 0.00 177.39 178.49 1wjm s ALA 68 N -2.14 3.29 -0.75 -1.18 0.00 -1.26 -3.46 121.76 116.26 1wjm s ALA 68 Ca 0.36 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1wjm s ALA 68 Cb 0.29 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1wjm s ALA 68 CO 0.02 -1.90 0.00 0.54 0.00 0.00 0.00 175.76 174.42 1wjm n ARG 69 N 6.99 -0.67 -3.83 0.00 5.12 -1.26 -4.47 116.66 118.53 1wjm n ARG 69 Ca 0.06 0.45 -0.22 0.00 -1.93 0.00 0.00 57.85 56.22 1wjm n ARG 69 Cb 0.48 -4.42 -0.02 0.00 -1.16 0.00 0.00 32.46 27.35 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 -2.42 3.88 0.03 7.54 0.00 -1.22 -3.91 121.76 125.66 1wjm s ALA 70 Ca 0.00 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.86 1wjm s ALA 70 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 1wjm s ALA 70 CO 0.00 0.18 -0.14 1.14 0.00 0.00 0.00 175.76 176.94 1wjm s GLN 71 N -4.06 2.25 -0.21 0.00 -2.07 0.21 -4.96 119.66 110.82 1wjm s GLN 71 Ca 0.35 -0.89 -0.03 0.00 -1.82 0.00 0.00 55.36 52.98 1wjm s GLN 71 Cb -0.09 -2.30 0.06 0.00 -1.09 0.00 0.00 33.01 29.59 1wjm s GLN 71 CO 0.31 0.56 0.04 0.20 -1.32 0.00 0.00 175.29 175.08 1wjm s GLY 72 N -1.43 0.73 0.11 2.60 0.00 -1.26 -1.36 107.32 106.71 1wjm s GLY 72 Ca 0.16 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.10 1wjm s GLY 72 CO 0.06 1.46 -0.05 -0.56 0.00 0.00 0.00 173.10 174.02 1wjm s SER 73 N 1.85 1.14 0.76 1.64 0.01 -0.59 -5.00 113.70 113.51 1wjm s SER 73 Ca 0.00 -1.04 -0.11 0.00 1.31 0.00 0.00 55.95 56.11 1wjm s SER 73 Cb -0.17 0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.21 1wjm s SER 73 CO -0.10 -0.49 1.09 -0.69 0.41 0.00 0.00 173.24 173.45 1wjm s VAL 74 N -3.64 3.44 -0.93 3.43 1.01 -1.26 0.13 120.40 122.58 1wjm s VAL 74 Ca 0.14 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 1wjm s VAL 74 Cb 0.05 -3.00 0.26 0.00 0.00 0.00 0.00 36.38 33.69 1wjm s VAL 74 CO -0.03 -0.61 1.02 0.00 0.00 0.00 0.00 175.10 175.48 1wjm n ALA 75 N -3.46 4.30 -0.08 5.51 0.00 0.48 -4.14 120.51 123.12 1wjm n ALA 75 Ca 0.09 -4.70 -0.13 0.00 0.00 0.00 0.00 53.44 48.69 1wjm n ALA 75 Cb 0.53 -1.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 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 5.54 0.68 -0.74 0.00 0.04 -1.94 -3.22 116.94 117.30 1wjm h PHE 76 Ca 0.18 -0.21 0.12 0.00 2.80 0.00 0.00 57.97 60.86 1wjm h PHE 76 Cb 0.73 -0.14 -0.13 0.00 2.20 0.00 0.00 35.95 38.61 1wjm h PHE 76 CO 0.81 0.91 -0.38 -0.44 -0.60 0.00 0.00 178.31 178.60 1wjm h ASP 77 N 0.26 -1.36 0.00 2.17 5.19 -1.96 -3.38 116.42 117.34 1wjm h ASP 77 Ca 0.03 0.26 -0.47 0.00 -0.62 0.00 0.00 57.03 56.23 1wjm h ASP 77 Cb 0.80 0.67 -0.09 0.00 0.18 0.00 0.00 39.33 40.89 1wjm h ASP 77 CO 0.06 -0.30 1.71 0.00 -3.12 0.00 0.00 179.24 177.59 1wjm n TYR 78 N -5.43 0.51 -3.24 4.55 4.19 -1.22 -4.79 117.16 111.73 1wjm n TYR 78 Ca 0.06 0.35 -0.45 0.00 3.31 0.00 0.00 57.90 61.16 1wjm n TYR 78 Cb 0.37 -2.19 0.00 0.00 0.49 0.00 0.00 39.34 38.00 1wjm n TYR 78 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1wjm n ARG 79 N 8.03 3.60 0.00 2.98 1.74 -1.26 -4.33 116.66 127.42 1wjm n ARG 79 Ca 0.64 -4.36 0.00 0.00 -0.77 0.00 0.00 57.85 53.36 1wjm n ARG 79 Cb 0.04 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 28.85 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wjm n LYS 80 N 3.03 0.00 -2.13 5.56 4.76 -1.26 -5.15 118.16 122.97 1wjm n LYS 80 Ca 0.26 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.43 1wjm n LYS 80 Cb 0.39 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.71 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 1.43 0.07 1.97 0.52 -1.26 -5.11 118.95 116.57 1wjm s ARG 81 Ca 0.00 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 1wjm s ARG 81 Cb 0.00 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 1wjm s ARG 81 CO 0.00 -1.81 -0.08 0.15 0.02 0.00 0.00 175.30 173.59 1wjm s LYS 82 N -5.53 0.68 -1.11 3.54 1.02 -1.26 -4.88 119.74 112.21 1wjm s LYS 82 Ca 0.67 -1.02 -0.14 0.00 0.02 0.00 0.00 55.97 55.50 1wjm s LYS 82 Cb -0.07 -0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 36.90 1wjm s LYS 82 CO 0.49 0.03 0.85 0.72 -0.92 0.00 0.00 175.35 176.52 1wjm n HIS 83 N 0.81 -2.14 -4.58 3.18 8.25 -1.26 -4.55 115.22 114.93 1wjm n HIS 83 Ca -0.18 0.63 -0.22 0.00 -0.26 0.00 0.00 57.72 57.69 1wjm n HIS 83 Cb 0.57 -3.76 -0.15 0.00 1.12 0.00 0.00 29.99 27.77 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 -3.44 1.03 0.03 1.59 1.01 -1.26 0.22 120.40 119.58 1wjm s VAL 84 Ca 0.45 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1wjm s VAL 84 Cb -0.12 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1wjm s VAL 84 CO 0.81 0.30 -0.13 0.72 0.00 0.00 0.00 175.10 176.80 1wjm s PHE 85 N -0.08 1.17 0.08 5.22 -0.71 -0.85 0.18 117.98 123.00 1wjm s PHE 85 Ca 0.01 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.45 1wjm s PHE 85 Cb -0.07 -0.71 -0.06 0.00 -1.21 0.00 0.00 43.02 40.96 1wjm s PHE 85 CO 0.00 0.02 0.46 0.21 -1.34 0.00 0.00 175.22 174.57 1wjm s LYS 86 N -0.92 3.91 -0.26 1.99 2.20 0.36 -2.67 119.74 124.35 1wjm s LYS 86 Ca 0.02 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1wjm s LYS 86 Cb -0.07 -3.06 0.08 0.00 -1.51 0.00 0.00 37.83 33.27 1wjm s LYS 86 CO 0.01 0.58 0.02 -1.17 -0.36 0.00 0.00 175.35 174.43 1wjm s LEU 87 N -1.62 2.51 -0.33 5.43 2.96 -0.24 -1.54 118.68 125.85 1wjm s LEU 87 Ca 0.32 -1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 52.73 1wjm s LEU 87 Cb -0.16 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 1wjm s LEU 87 CO 0.17 -0.32 0.19 -0.83 -1.32 0.00 0.00 176.35 174.24 1wjm s GLY 88 N 1.48 1.90 0.25 7.98 0.00 -0.46 -0.02 107.32 118.46 1wjm s GLY 88 Ca 0.02 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 1wjm s GLY 88 CO -0.13 0.74 0.25 1.04 0.00 0.00 0.00 173.10 175.00 1wjm n LEU 89 N 5.02 0.00 0.01 0.66 4.77 0.45 0.65 117.00 128.56 1wjm n LEU 89 Ca -0.13 -0.27 0.11 0.00 -0.03 0.00 0.00 56.01 55.69 1wjm n LEU 89 Cb 0.49 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1wjm n LEU 89 CO 0.35 -1.09 -0.01 0.00 -1.33 0.00 0.00 177.39 175.31 1wjm n GLN 90 N -2.04 0.14 -0.72 3.23 10.64 -1.25 -3.93 117.38 123.45 1wjm n GLN 90 Ca 0.03 -0.02 0.05 0.00 -1.83 0.00 0.00 57.00 55.23 1wjm n GLN 90 Cb 0.13 -1.53 0.32 0.00 -0.86 0.00 0.00 30.24 28.30 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 -1.70 4.73 -1.31 2.61 -0.08 -1.26 -4.86 116.55 114.68 1wjm n ASP 91 Ca 0.03 -2.75 -0.10 0.00 -1.51 0.00 0.00 54.79 50.45 1wjm n ASP 91 Cb 0.38 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.19 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wjm n GLY 92 N 0.46 -0.01 3.41 0.27 0.00 -1.25 -3.78 105.19 104.29 1wjm n GLY 92 Ca 0.23 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.70 3.23 -0.14 1.61 2.20 -1.26 -1.23 119.74 119.44 1wjm s LYS 93 Ca 0.05 -0.79 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1wjm s LYS 93 Cb -0.02 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1wjm s LYS 93 CO 0.06 -0.46 -0.06 -2.00 -0.36 0.00 0.00 175.35 172.53 1wjm s GLU 94 N 1.59 3.56 0.25 4.03 2.12 -0.91 0.17 118.70 129.50 1wjm s GLU 94 Ca 0.04 -0.55 0.08 0.00 0.36 0.00 0.00 54.97 54.90 1wjm s GLU 94 Cb -0.17 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 31.33 1wjm s GLU 94 CO 0.06 0.27 -0.13 0.71 -0.54 0.00 0.00 175.26 175.62 1wjm s TYR 95 N 0.28 1.92 -0.09 5.30 2.02 0.98 -1.07 117.35 126.69 1wjm s TYR 95 Ca -0.04 -0.55 -0.00 0.00 -0.37 0.00 0.00 57.07 56.11 1wjm s TYR 95 Cb -0.14 -0.94 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1wjm s TYR 95 CO 0.03 0.43 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.87 1wjm s LEU 96 N -3.40 1.10 -0.06 -1.29 1.43 -1.10 -1.07 118.68 114.30 1wjm s LEU 96 Ca 0.26 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1wjm s LEU 96 Cb -0.00 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 1wjm s LEU 96 CO 0.10 -0.11 -0.21 -0.36 0.23 0.00 0.00 176.35 176.00 1wjm s PHE 97 N 1.59 2.10 -0.34 0.29 0.08 -1.09 -0.95 117.98 119.66 1wjm s PHE 97 Ca 0.02 -0.64 -0.07 0.00 0.12 0.00 0.00 56.93 56.35 1wjm s PHE 97 Cb -0.13 -1.40 0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1wjm s PHE 97 CO -0.06 -0.21 0.12 -1.14 -0.10 0.00 0.00 175.22 173.83 1wjm s GLN 98 N -0.00 2.66 0.92 0.44 0.74 -1.18 -2.00 119.66 121.24 1wjm s GLN 98 Ca -0.05 -1.16 -0.12 0.00 0.05 0.00 0.00 55.36 54.08 1wjm s GLN 98 Cb -0.13 -3.49 0.14 0.00 1.10 0.00 0.00 33.01 30.63 1wjm s GLN 98 CO 0.03 -0.66 1.12 0.00 -0.55 0.00 0.00 175.29 175.23 1wjm s ALA 99 N 1.42 1.59 0.11 1.58 0.00 0.13 -3.64 121.76 122.95 1wjm s ALA 99 Ca -0.01 -0.40 0.17 0.00 0.00 0.00 0.00 51.96 51.72 1wjm s ALA 99 Cb -0.19 -3.08 0.50 0.00 0.00 0.00 0.00 23.12 20.35 1wjm s ALA 99 CO 0.03 -2.37 1.65 1.57 0.00 0.00 0.00 175.76 176.64 1wjm h LYS 100 N -1.56 0.00 -2.42 0.00 2.10 -1.84 -3.45 116.57 109.40 1wjm h LYS 100 Ca -0.51 0.00 0.16 0.00 -2.00 0.00 0.00 60.65 58.30 1wjm h LYS 100 Cb 1.32 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.59 1wjm h LYS 100 CO 0.60 0.44 0.50 -0.51 -2.00 0.00 0.00 179.45 178.48 1wjm s ASP 101 N -6.48 -0.11 0.39 7.07 1.01 -1.26 -5.00 116.67 112.29 1wjm s ASP 101 Ca 0.01 -0.52 0.17 0.00 0.71 0.00 0.00 52.55 52.91 1wjm s ASP 101 Cb 0.10 0.51 1.05 0.00 1.01 0.00 0.00 42.92 45.59 1wjm s ASP 101 CO 0.71 -0.97 1.80 -0.33 0.21 0.00 0.00 175.17 176.59 1wjm h GLU 102 N 2.00 0.43 0.00 8.23 5.08 -1.91 -0.76 114.58 127.66 1wjm h GLU 102 Ca -0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1wjm h GLU 102 Cb 1.23 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1wjm h GLU 102 CO 0.29 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 1wjm n ALA 103 N -2.47 -0.46 -0.33 3.43 0.00 -1.26 0.42 120.51 119.84 1wjm n ALA 103 Ca 0.23 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.89 1wjm n ALA 103 Cb 0.78 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.65 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 0.03 0.12 0.00 4.57 -1.82 0.36 114.58 117.84 1wjm h GLU 104 Ca 0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1wjm h GLU 104 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1wjm h GLU 104 CO 0.00 0.02 -0.06 1.98 -1.18 0.00 0.00 179.01 179.77 1wjm h MET 105 N 0.03 -0.15 -0.94 1.92 4.05 -0.99 -0.49 114.93 118.35 1wjm h MET 105 Ca 0.71 0.01 0.26 0.00 -0.28 0.00 0.00 59.70 60.39 1wjm h MET 105 Cb 1.66 0.04 -0.17 0.00 -0.80 0.00 0.00 31.60 32.33 1wjm h MET 105 CO -0.83 -0.10 0.07 0.77 0.23 0.00 0.00 176.91 177.04 1wjm h SER 106 N -0.19 -0.37 0.40 1.39 0.02 0.12 0.36 113.55 115.27 1wjm h SER 106 Ca -0.02 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1wjm h SER 106 Cb 0.12 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1wjm h SER 106 CO 0.03 -0.31 -0.31 0.28 -1.14 0.00 0.00 176.83 175.38 1wjm h SER 107 N 0.05 -0.81 -0.45 3.07 0.02 -0.32 -0.78 113.55 114.33 1wjm h SER 107 Ca 0.58 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.63 1wjm h SER 107 Cb 1.18 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 63.91 1wjm h SER 107 CO -0.85 -0.46 -0.38 -0.50 -1.14 0.00 0.00 176.83 173.50 1wjm h TRP 108 N -0.71 -1.20 -0.79 3.45 4.06 0.14 0.72 115.95 121.62 1wjm h TRP 108 Ca -0.04 0.07 0.14 0.00 2.06 0.00 0.00 58.89 61.13 1wjm h TRP 108 Cb 0.61 0.58 -0.14 0.00 -1.00 0.00 0.00 29.16 29.21 1wjm h TRP 108 CO -0.14 -0.29 -0.29 -0.07 -3.56 0.00 0.00 178.44 174.09 1wjm h LEU 109 N -0.14 -1.04 -1.45 -4.49 -0.00 -1.06 2.44 115.31 109.58 1wjm h LEU 109 Ca 0.07 0.26 0.11 0.00 -0.00 0.00 0.00 57.88 58.32 1wjm h LEU 109 Cb 0.34 0.59 -0.05 0.00 -0.00 0.00 0.00 40.66 41.53 1wjm h LEU 109 CO -0.50 -0.29 0.49 -0.09 -0.00 0.00 0.00 178.44 178.05 1wjm h ARG 110 N -0.05 0.59 0.06 1.13 2.43 0.11 0.71 114.38 119.36 1wjm h ARG 110 Ca 0.33 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1wjm h ARG 110 Cb 0.59 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1wjm h ARG 110 CO -0.83 0.39 -0.03 0.28 -1.51 0.00 0.00 179.97 178.27 1wjm h VAL 111 N 0.60 0.20 -1.04 0.20 2.07 0.78 -1.76 116.25 117.30 1wjm h VAL 111 Ca 0.35 -1.08 0.27 0.00 0.82 0.00 0.00 66.70 67.06 1wjm h VAL 111 Cb 0.55 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 30.57 1wjm h VAL 111 CO -0.13 0.06 0.64 0.58 0.02 0.00 0.00 177.57 178.75 1wjm h VAL 112 N -1.01 0.49 -0.18 2.57 2.07 0.37 1.20 116.25 121.76 1wjm h VAL 112 Ca -0.01 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 1wjm h VAL 112 Cb 0.17 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1wjm h VAL 112 CO 0.01 0.08 -0.58 0.78 0.02 0.00 0.00 177.57 177.89 1wjm h ASN 113 N 0.46 0.63 0.81 0.57 2.35 0.36 0.19 115.58 120.94 1wjm h ASN 113 Ca 0.64 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1wjm h ASN 113 Cb 1.45 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1wjm h ASN 113 CO -0.40 1.07 0.00 0.00 -1.65 0.00 0.00 177.43 176.45 1wjm h ALA 114 N 0.94 1.00 0.01 -0.83 0.00 0.22 -1.99 119.26 118.61 1wjm h ALA 114 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1wjm h ALA 114 Cb 1.13 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1wjm h ALA 114 CO 0.11 0.00 -1.77 0.00 0.00 0.00 0.00 179.25 177.59 1wjm n ALA 115 N -1.87 0.94 0.08 0.00 0.00 0.87 -3.29 120.51 117.25 1wjm n ALA 115 Ca 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.61 1wjm n ALA 115 Cb 0.25 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.84 0.13 0.42 0.00 2.04 -0.52 -2.70 117.51 116.04 1wjm h ILE 116 Ca -0.47 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1wjm h ILE 116 Cb 1.50 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1wjm h ILE 116 CO -0.24 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.41 1wjm h ALA 117 N -0.15 -1.12 -0.85 1.87 0.00 -1.58 -3.36 119.26 114.08 1wjm h ALA 117 Ca 0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1wjm h ALA 117 Cb 0.68 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1wjm h ALA 117 CO -0.30 -1.16 0.74 -1.13 0.00 0.00 0.00 179.25 177.40 1wjm n SER 118 N -5.43 1.94 0.00 0.00 3.41 -1.02 -4.47 113.62 108.05 1wjm n SER 118 Ca -0.11 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 1wjm n SER 118 Cb 0.44 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wjm n GLY 119 N 6.46 -0.66 3.29 5.00 0.00 -1.26 -4.78 105.19 113.24 1wjm n GLY 119 Ca 0.44 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 1wjm n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wjm n PRO 120 N 0.00 2.30 -3.37 1.61 -0.04 -1.26 -4.93 135.00 129.30 1wjm n PRO 120 Ca 0.00 -2.59 -0.31 0.00 -0.04 0.00 0.00 63.50 60.56 1wjm n PRO 120 Cb 0.00 -3.39 -0.05 0.00 -0.04 0.00 0.00 33.50 30.03 1wjm n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wjm s SER 121 N 4.81 6.57 0.18 3.54 0.15 -1.26 -4.93 113.70 122.76 1wjm s SER 121 Ca 0.57 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.10 1wjm s SER 121 Cb 0.07 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1wjm s SER 121 CO 0.07 -0.12 0.00 -0.24 1.20 0.00 0.00 173.24 174.15 1wjm n SER 122 N -0.39 0.34 0.00 5.45 2.88 -1.26 -5.22 113.62 115.42 1wjm n SER 122 Ca -0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1wjm n SER 122 Cb 0.53 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42