#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 -0.50 0.10 1.61 0.15 -1.05 -4.64 113.70 109.35 1wjm s SER 2 Ca 0.00 -0.42 -0.32 0.00 0.70 0.00 0.00 55.95 55.91 1wjm s SER 2 Cb 0.00 0.65 -0.13 0.00 -1.71 0.00 0.00 66.02 64.83 1wjm s SER 2 CO 0.00 -0.04 1.60 0.28 1.20 0.00 0.00 173.24 176.29 1wjm h SER 3 N 5.02 -1.02 0.00 5.45 0.02 -1.99 -3.48 113.55 117.55 1wjm h SER 3 Ca -0.01 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1wjm h SER 3 Cb 1.19 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1wjm h SER 3 CO -0.07 -0.52 0.00 0.61 -1.14 0.00 0.00 176.83 175.72 1wjm n GLY 4 N -1.47 1.36 3.67 -3.77 0.00 -1.26 -4.98 105.19 98.73 1wjm n GLY 4 Ca -0.10 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 1wjm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wjm s SER 5 N -4.00 6.49 0.09 1.61 0.01 -1.26 -5.03 113.70 111.62 1wjm s SER 5 Ca 0.00 0.59 -0.27 0.00 1.31 0.00 0.00 55.95 57.58 1wjm s SER 5 Cb 0.00 -2.26 0.08 0.00 0.21 0.00 0.00 66.02 64.05 1wjm s SER 5 CO 0.00 -0.11 1.04 -0.94 0.41 0.00 0.00 173.24 173.64 1wjm s SER 6 N 1.08 -0.16 0.00 2.44 1.04 -1.26 -5.16 113.70 111.67 1wjm s SER 6 Ca 0.21 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1wjm s SER 6 Cb -0.15 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1wjm s SER 6 CO 0.09 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1wjm n GLY 7 N -0.45 1.92 2.97 7.32 0.00 -1.26 -5.09 105.19 110.60 1wjm n GLY 7 Ca -0.07 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.12 1.56 -0.00 1.61 0.41 -1.26 -5.07 118.70 115.83 1wjm s GLU 8 Ca 0.00 -1.40 -0.05 0.00 -0.41 0.00 0.00 54.97 53.11 1wjm s GLU 8 Cb 0.00 -2.79 -0.04 0.00 -1.78 0.00 0.00 34.13 29.52 1wjm s GLU 8 CO 0.00 -0.77 0.24 -0.65 -0.49 0.00 0.00 175.26 173.58 1wjm s GLN 9 N 1.19 3.53 -0.07 1.61 1.11 -1.26 -4.54 119.66 121.23 1wjm s GLN 9 Ca 0.02 -0.16 -0.03 0.00 0.01 0.00 0.00 55.36 55.21 1wjm s GLN 9 Cb -0.19 -3.09 0.04 0.00 -1.01 0.00 0.00 33.01 28.76 1wjm s GLN 9 CO -0.09 0.66 0.14 1.41 0.01 0.00 0.00 175.29 177.42 1wjm s MET 10 N -1.79 0.08 -0.06 2.91 1.75 -0.91 -4.97 119.30 116.31 1wjm s MET 10 Ca 0.27 0.40 -0.02 0.00 -1.25 0.00 0.00 55.69 55.09 1wjm s MET 10 Cb -0.13 -0.20 0.04 0.00 2.84 0.00 0.00 34.83 37.38 1wjm s MET 10 CO 0.16 -0.19 0.11 -1.83 -0.65 0.00 0.00 175.02 172.62 1wjm s GLU 11 N 1.39 0.01 -0.06 4.11 -1.05 -1.26 0.13 118.70 121.97 1wjm s GLU 11 Ca -0.07 0.41 -0.31 0.00 -0.15 0.00 0.00 54.97 54.85 1wjm s GLU 11 Cb -0.12 -0.30 0.11 0.00 -0.44 0.00 0.00 34.13 33.39 1wjm s GLU 11 CO -0.06 -0.25 0.98 0.20 0.95 0.00 0.00 175.26 177.08 1wjm s GLY 12 N 1.76 -0.41 0.09 -3.83 0.00 -0.65 -5.01 107.32 99.26 1wjm s GLY 12 Ca -0.02 1.20 -0.32 0.00 0.00 0.00 0.00 44.72 45.59 1wjm s GLY 12 CO -0.05 0.41 1.83 1.03 0.00 0.00 0.00 173.10 176.32 1wjm n MET 13 N -0.17 2.63 -3.87 2.90 2.81 -1.26 -2.30 117.12 117.85 1wjm n MET 13 Ca -0.06 0.96 -0.10 0.00 -1.81 0.00 0.00 57.70 56.69 1wjm n MET 13 Cb 0.61 -2.84 -0.09 0.00 -0.71 0.00 0.00 33.22 30.19 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 1.52 -0.65 4.03 1.02 -1.14 -4.80 118.68 121.57 1wjm s LEU 14 Ca 0.84 -0.42 -0.17 0.00 0.02 0.00 0.00 54.13 54.40 1wjm s LEU 14 Cb -0.53 0.83 0.14 0.00 0.02 0.00 0.00 46.19 46.65 1wjm s LEU 14 CO 0.40 -0.54 0.68 0.00 0.02 0.00 0.00 176.35 176.91 1wjm s ARG 16 N 1.76 4.15 -0.36 0.00 3.52 -1.03 -3.19 118.95 123.80 1wjm s ARG 16 Ca 0.11 0.74 0.02 0.00 -0.13 0.00 0.00 55.73 56.47 1wjm s ARG 16 Cb -0.22 -3.65 0.11 0.00 -1.56 0.00 0.00 34.95 29.63 1wjm s ARG 16 CO 0.01 -0.46 0.11 0.21 -0.81 0.00 0.00 175.30 174.36 1wjm s LYS 17 N 2.65 1.26 -0.25 5.12 2.20 -0.47 -3.62 119.74 126.62 1wjm s LYS 17 Ca 0.30 -1.71 -0.29 0.00 -0.36 0.00 0.00 55.97 53.92 1wjm s LYS 17 Cb -0.15 -2.74 -0.06 0.00 -1.51 0.00 0.00 37.83 33.37 1wjm s LYS 17 CO 0.08 -1.00 2.24 0.94 -0.36 0.00 0.00 175.35 177.25 1wjm n GLN 18 N 4.25 1.81 -0.07 4.03 7.27 -1.26 -2.59 117.38 130.82 1wjm n GLN 18 Ca 0.03 0.47 -0.19 0.00 0.07 0.00 0.00 57.00 57.37 1wjm n GLN 18 Cb 0.40 -3.18 -0.13 0.00 2.41 0.00 0.00 30.24 29.74 1wjm n GLN 18 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1wjm h GLU 19 N 15.20 0.06 -5.34 3.69 5.08 -1.75 -3.33 114.58 128.20 1wjm h GLU 19 Ca -0.38 -0.11 -0.42 0.00 -1.00 0.00 0.00 59.36 57.45 1wjm h GLU 19 Cb 1.25 0.04 -0.22 0.00 0.50 0.00 0.00 28.75 30.32 1wjm h GLU 19 CO 0.98 1.05 -0.78 -1.64 -1.00 0.00 0.00 179.01 177.62 1wjm s MET 20 N -2.35 0.85 -0.00 2.33 -1.94 -1.15 -2.37 119.30 114.66 1wjm s MET 20 Ca -0.24 -0.90 0.14 0.00 -1.71 0.00 0.00 55.69 52.99 1wjm s MET 20 Cb 0.03 -0.86 -0.17 0.00 2.01 0.00 0.00 34.83 35.84 1wjm s MET 20 CO 0.67 0.20 0.56 -1.91 -0.01 0.00 0.00 175.02 174.52 1wjm n GLU 21 N 1.45 1.97 0.00 2.03 2.13 -0.42 -2.49 120.64 125.31 1wjm n GLU 21 Ca -0.20 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.60 1wjm n GLU 21 Cb 0.54 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 31.05 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 -1.45 0.00 -1.27 4.31 0.00 -0.58 -4.53 120.51 116.99 1wjm n ALA 22 Ca 0.02 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.88 1wjm n ALA 22 Cb 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.15 1.10 0.00 0.00 3.72 -1.22 0.19 117.46 121.09 1wjm n PHE 23 Ca 0.00 0.73 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 1wjm n PHE 23 Cb 0.00 -2.29 0.00 0.00 -0.94 0.00 0.00 39.48 36.25 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 7.37 1.82 3.70 1.37 0.00 -1.26 -4.97 105.19 113.21 1wjm n GLY 24 Ca 0.56 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 4.26 -0.10 1.61 2.36 0.51 -5.00 119.74 123.38 1wjm s LYS 25 Ca 0.00 2.13 -0.03 0.00 -2.55 0.00 0.00 55.97 55.52 1wjm s LYS 25 Cb 0.00 -3.49 -0.03 0.00 -1.05 0.00 0.00 37.83 33.25 1wjm s LYS 25 CO 0.00 -0.60 0.03 -1.59 1.55 0.00 0.00 175.35 174.73 1wjm s LYS 26 N 2.16 3.10 0.27 4.03 0.00 -1.26 -1.30 119.74 126.74 1wjm s LYS 26 Ca 0.68 -0.36 -0.30 0.00 0.00 0.00 0.00 55.97 55.99 1wjm s LYS 26 Cb -0.36 -2.88 -0.13 0.00 0.00 0.00 0.00 37.83 34.47 1wjm s LYS 26 CO 0.29 0.70 1.44 0.00 0.00 0.00 0.00 175.35 177.79 1wjm n ALA 27 N 2.17 1.57 0.14 0.59 0.00 -1.00 -4.62 120.51 119.36 1wjm n ALA 27 Ca -0.19 0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 1wjm n ALA 27 Cb 0.54 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.64 1wjm n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjm h ALA 28 N 4.07 -1.09 0.14 0.00 0.00 -1.92 -3.31 119.26 117.15 1wjm h ALA 28 Ca -0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1wjm h ALA 28 Cb 1.26 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1wjm h ALA 28 CO 0.74 -1.07 -0.17 -0.97 0.00 0.00 0.00 179.25 177.79 1wjm h ASN 29 N -0.35 -0.47 -6.21 0.00 -0.00 -1.92 -3.46 115.58 103.18 1wjm h ASN 29 Ca -0.04 0.04 -0.44 0.00 -0.00 0.00 0.00 56.30 55.86 1wjm h ASN 29 Cb 0.27 0.16 0.02 0.00 -0.00 0.00 0.00 38.32 38.77 1wjm h ASN 29 CO 0.06 -0.21 -0.85 -1.14 -0.00 0.00 0.00 177.43 175.28 1wjm n ARG 30 N -3.34 -4.25 -4.56 6.67 0.63 -1.25 -4.98 116.66 105.58 1wjm n ARG 30 Ca -0.04 0.55 -0.27 0.00 -0.92 0.00 0.00 57.85 57.18 1wjm n ARG 30 Cb 0.15 -4.95 -0.11 0.00 0.45 0.00 0.00 32.46 28.01 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1wjm s SER 31 N -4.33 3.83 -0.13 6.15 0.01 -1.26 -4.93 113.70 113.04 1wjm s SER 31 Ca 0.02 -1.26 -0.21 0.00 1.31 0.00 0.00 55.95 55.81 1wjm s SER 31 Cb -0.01 -0.38 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 1wjm s SER 31 CO 0.84 -0.31 0.62 0.26 0.41 0.00 0.00 173.24 175.06 1wjm s TRP 32 N -2.65 3.49 -0.10 2.43 0.52 -1.26 -4.34 118.94 117.03 1wjm s TRP 32 Ca 0.34 1.05 -0.07 0.00 0.02 0.00 0.00 56.10 57.43 1wjm s TRP 32 Cb 0.05 -2.74 0.03 0.00 -1.15 0.00 0.00 33.47 29.66 1wjm s TRP 32 CO 0.17 0.01 0.25 -0.65 0.02 0.00 0.00 176.95 176.75 1wjm s GLN 33 N 1.18 0.26 -0.50 4.98 -0.21 -1.24 -5.06 119.66 119.07 1wjm s GLN 33 Ca 0.32 0.44 -0.27 0.00 0.02 0.00 0.00 55.36 55.86 1wjm s GLN 33 Cb -0.16 0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.85 1wjm s GLN 33 CO 0.13 -0.09 1.86 0.54 -2.12 0.00 0.00 175.29 175.61 1wjm s ASN 34 N 0.63 5.47 -0.12 5.90 4.22 -1.26 -2.46 114.94 127.32 1wjm s ASN 34 Ca -0.04 0.73 0.01 0.00 -2.14 0.00 0.00 52.86 51.42 1wjm s ASN 34 Cb -0.05 -2.53 0.02 0.00 1.28 0.00 0.00 41.25 39.97 1wjm s ASN 34 CO -0.04 -2.15 -0.15 -0.69 -2.04 0.00 0.00 177.10 172.04 1wjm s VAL 35 N 8.39 1.52 -0.34 3.54 1.01 0.04 -4.82 120.40 129.75 1wjm s VAL 35 Ca 0.73 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1wjm s VAL 35 Cb -0.16 -1.40 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1wjm s VAL 35 CO 0.26 0.45 1.51 -0.47 0.00 0.00 0.00 175.10 176.85 1wjm s TYR 36 N 1.12 2.27 0.07 5.22 5.04 0.48 -2.88 117.35 128.65 1wjm s TYR 36 Ca -0.04 0.67 -0.30 0.00 -2.44 0.00 0.00 57.07 54.96 1wjm s TYR 36 Cb -0.14 -4.15 -0.05 0.00 0.35 0.00 0.00 41.96 37.97 1wjm s TYR 36 CO -0.04 -2.32 1.09 0.00 -1.34 0.00 0.00 175.55 172.94 1wjm s VAL 38 N 0.72 1.20 -0.04 0.00 1.01 0.21 -1.64 120.40 121.86 1wjm s VAL 38 Ca 0.54 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1wjm s VAL 38 Cb -0.26 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1wjm s VAL 38 CO 0.30 -0.40 0.14 -0.22 0.00 0.00 0.00 175.10 174.92 1wjm s LEU 39 N 1.50 4.23 0.00 3.92 0.20 0.36 0.19 118.68 129.07 1wjm s LEU 39 Ca 0.03 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.17 1wjm s LEU 39 Cb -0.18 -2.36 0.00 0.00 -0.43 0.00 0.00 46.19 43.22 1wjm s LEU 39 CO -0.14 0.31 0.00 -1.14 -0.29 0.00 0.00 176.35 175.09 1wjm n ARG 40 N 1.33 0.42 -1.01 1.98 3.00 -0.72 -2.15 116.66 119.50 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 32.91 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 0.86 -2.15 -0.14 1.74 -1.26 -3.39 116.66 112.32 1wjm n ARG 41 Ca 0.00 -1.57 -0.04 0.00 -0.77 0.00 0.00 57.85 55.47 1wjm n ARG 41 Cb 0.00 -2.89 0.02 0.00 -1.02 0.00 0.00 32.46 28.57 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 4.91 0.31 3.68 -0.13 0.00 -1.26 -4.88 105.19 107.82 1wjm n GLY 42 Ca 0.48 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.22 -0.38 -0.29 1.61 1.04 -1.22 -4.02 113.70 107.22 1wjm s SER 43 Ca 0.06 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1wjm s SER 43 Cb -0.01 0.66 0.15 0.00 0.10 0.00 0.00 66.02 66.93 1wjm s SER 43 CO 0.19 -1.17 0.37 -0.22 0.98 0.00 0.00 173.24 173.39 1wjm s LEU 44 N -2.85 -0.59 0.11 2.42 2.96 -0.88 -1.76 118.68 118.09 1wjm s LEU 44 Ca 0.07 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1wjm s LEU 44 Cb -0.04 0.89 -0.04 0.00 0.50 0.00 0.00 46.19 47.50 1wjm s LEU 44 CO -0.01 -0.36 0.29 -0.83 -1.32 0.00 0.00 176.35 174.12 1wjm s GLY 45 N 2.45 2.12 -0.02 7.98 0.00 0.50 -0.37 107.32 119.98 1wjm s GLY 45 Ca 0.10 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1wjm s GLY 45 CO -0.30 -0.73 -0.03 -1.36 0.00 0.00 0.00 173.10 170.67 1wjm s PHE 46 N -1.62 3.00 0.06 1.90 0.08 -1.26 0.64 117.98 120.78 1wjm s PHE 46 Ca 0.37 0.04 -0.13 0.00 0.12 0.00 0.00 56.93 57.33 1wjm s PHE 46 Cb -0.12 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 1wjm s PHE 46 CO 0.27 0.41 0.30 0.71 -0.10 0.00 0.00 175.22 176.81 1wjm s TYR 47 N -0.98 -0.08 0.07 0.36 1.51 -0.45 -3.65 117.35 114.13 1wjm s TYR 47 Ca 0.17 -0.12 -0.20 0.00 -1.01 0.00 0.00 57.07 55.91 1wjm s TYR 47 Cb -0.11 0.09 -0.08 0.00 -0.11 0.00 0.00 41.96 41.75 1wjm s TYR 47 CO 0.07 -0.53 1.33 -0.22 -1.11 0.00 0.00 175.55 175.09 1wjm h LYS 48 N 3.07 -0.34 0.00 -0.62 3.64 -1.87 1.39 116.57 121.84 1wjm h LYS 48 Ca -0.32 0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 58.87 1wjm h LYS 48 Cb 1.20 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 1wjm h LYS 48 CO 0.47 -0.23 -0.13 -0.40 -2.27 0.00 0.00 179.45 176.89 1wjm n ASP 49 N -4.29 -0.84 0.26 4.20 5.68 -1.26 -3.44 116.55 116.86 1wjm n ASP 49 Ca -0.04 -2.31 0.18 0.00 -0.50 0.00 0.00 54.79 52.12 1wjm n ASP 49 Cb 0.23 1.61 0.83 0.00 -1.14 0.00 0.00 41.12 42.65 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 1.81 1.00 0.00 2.12 0.00 -1.95 0.13 119.26 122.37 1wjm h ALA 50 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wjm h ALA 50 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wjm h ALA 50 CO 0.24 0.00 -0.35 0.87 0.00 0.00 0.00 179.25 180.02 1wjm h LYS 51 N 0.00 0.00 0.00 0.00 1.79 -1.99 -2.63 116.57 113.75 1wjm h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wjm h LYS 51 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1wjm h LYS 51 CO 0.00 0.00 -1.24 0.00 -1.08 0.00 0.00 179.45 177.13 1wjm n ALA 52 N -1.99 3.53 -0.03 3.86 0.00 0.33 -3.54 120.51 122.67 1wjm n ALA 52 Ca 0.03 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 1wjm n ALA 52 Cb 0.49 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 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 2.50 0.15 -0.77 0.00 0.00 -1.17 1.48 119.26 121.45 1wjm h ALA 53 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1wjm h ALA 53 Cb 0.75 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1wjm h ALA 53 CO 0.00 0.64 0.37 1.03 0.00 0.00 0.00 179.25 181.29 1wjm h SER 54 N -0.58 0.99 1.56 0.00 0.87 -1.65 -0.63 113.55 114.12 1wjm h SER 54 Ca -0.25 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1wjm h SER 54 Cb 1.52 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1wjm h SER 54 CO -0.01 0.84 0.00 0.00 -0.53 0.00 0.00 176.83 177.13 1wjm h ALA 55 N 1.31 1.00 -0.72 6.23 0.00 -1.69 -3.47 119.26 121.92 1wjm h ALA 55 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1wjm h ALA 55 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wjm h ALA 55 CO -0.03 0.00 -0.02 0.41 0.00 0.00 0.00 179.25 179.60 1wjm n GLY 56 N 0.69 0.67 3.50 0.00 0.00 -0.25 -5.04 105.19 104.77 1wjm n GLY 56 Ca 0.03 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.60 4.75 0.16 1.61 1.01 0.50 -4.99 120.40 120.84 1wjm s VAL 57 Ca 0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1wjm s VAL 57 Cb -0.01 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 1wjm s VAL 57 CO 0.01 0.26 1.12 -2.16 0.00 0.00 0.00 175.10 174.34 1wjm s PRO 58 N 1.67 4.56 0.06 2.72 0.04 -1.26 -4.38 135.00 138.40 1wjm s PRO 58 Ca 0.06 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1wjm s PRO 58 Cb -0.16 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1wjm s PRO 58 CO 0.07 0.01 1.25 -0.92 0.04 0.00 0.00 177.00 177.45 1wjm h TYR 59 N 5.35 -0.75 -1.10 0.56 3.20 -1.86 -3.17 116.97 119.20 1wjm h TYR 59 Ca -0.44 0.03 -0.54 0.00 3.14 0.00 0.00 58.73 60.93 1wjm h TYR 59 Cb 1.21 0.35 -0.42 0.00 1.54 0.00 0.00 36.73 39.41 1wjm h TYR 59 CO 0.63 -0.24 -0.82 0.72 -1.64 0.00 0.00 178.16 176.81 1wjm n HIS 60 N -3.89 2.86 -1.36 -3.82 8.25 -1.26 -4.85 115.22 111.15 1wjm n HIS 60 Ca -0.02 -2.66 -0.13 0.00 -0.26 0.00 0.00 57.72 54.64 1wjm n HIS 60 Cb 0.16 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.56 1.26 3.82 -1.41 0.00 -1.20 -4.91 105.19 102.19 1wjm n GLY 61 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.07 2.99 0.39 1.61 2.02 -1.26 -5.05 118.70 116.33 1wjm s GLU 62 Ca 0.00 0.95 0.08 0.00 0.02 0.00 0.00 54.97 56.02 1wjm s GLU 62 Cb 0.00 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 1wjm s GLU 62 CO 0.00 -1.06 0.41 0.14 0.02 0.00 0.00 175.26 174.77 1wjm s VAL 63 N -3.03 3.02 0.55 2.63 -7.23 -1.26 -4.84 120.40 110.23 1wjm s VAL 63 Ca 0.58 -1.25 -0.17 0.00 -1.81 0.00 0.00 61.98 59.33 1wjm s VAL 63 Cb -0.14 -3.07 -0.06 0.00 0.56 0.00 0.00 36.38 33.67 1wjm s VAL 63 CO 0.54 -0.05 1.04 -2.16 -0.31 0.00 0.00 175.10 174.17 1wjm s PRO 64 N -4.15 3.55 -0.24 4.82 0.04 -1.26 -4.61 135.00 133.15 1wjm s PRO 64 Ca 0.48 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1wjm s PRO 64 Cb -0.06 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1wjm s PRO 64 CO 0.29 -0.62 0.14 0.14 0.04 0.00 0.00 177.00 176.99 1wjm s VAL 65 N -2.29 5.16 0.03 -0.36 -7.23 0.51 -4.86 120.40 111.36 1wjm s VAL 65 Ca 0.65 0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.62 1wjm s VAL 65 Cb -0.16 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.32 1wjm s VAL 65 CO 0.30 0.35 1.33 -0.44 -0.31 0.00 0.00 175.10 176.33 1wjm s SER 66 N 1.12 6.92 -0.29 4.85 0.01 -1.26 -2.07 113.70 122.97 1wjm s SER 66 Ca 0.07 2.10 -0.02 0.00 1.31 0.00 0.00 55.95 59.41 1wjm s SER 66 Cb -0.14 -2.57 0.11 0.00 0.21 0.00 0.00 66.02 63.63 1wjm s SER 66 CO 0.05 -0.63 2.34 0.18 0.41 0.00 0.00 173.24 175.59 1wjm n LEU 67 N 4.72 6.26 -4.61 2.44 4.77 -1.26 -4.79 117.00 124.53 1wjm n LEU 67 Ca 0.12 -3.40 -0.42 0.00 -0.03 0.00 0.00 56.01 52.28 1wjm n LEU 67 Cb 0.44 -1.14 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 1wjm n LEU 67 CO 0.57 1.37 0.73 0.00 -1.33 0.00 0.00 177.39 178.74 1wjm s ALA 68 N -1.37 3.46 -1.78 -1.18 0.00 -1.26 -3.46 121.76 116.16 1wjm s ALA 68 Ca 0.38 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1wjm s ALA 68 Cb 0.26 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1wjm s ALA 68 CO -0.06 -1.47 0.00 0.54 0.00 0.00 0.00 175.76 174.77 1wjm n ARG 69 N 6.60 -1.22 -2.16 0.00 1.74 -1.26 -4.17 116.66 116.19 1wjm n ARG 69 Ca 0.07 1.07 -0.27 0.00 -0.77 0.00 0.00 57.85 57.95 1wjm n ARG 69 Cb 0.48 -5.33 0.09 0.00 -1.02 0.00 0.00 32.46 26.68 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wjm s ALA 70 N -2.67 3.01 -0.07 7.54 0.00 -1.22 -4.24 121.76 124.10 1wjm s ALA 70 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1wjm s ALA 70 Cb 0.00 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.54 1wjm s ALA 70 CO 0.00 -1.55 0.19 -0.65 0.00 0.00 0.00 175.76 173.76 1wjm s GLN 71 N -5.38 0.20 -0.14 0.00 -1.52 -0.05 -4.96 119.66 107.81 1wjm s GLN 71 Ca 0.63 0.31 0.01 0.00 -1.95 0.00 0.00 55.36 54.36 1wjm s GLN 71 Cb -0.09 0.05 0.02 0.00 -0.22 0.00 0.00 33.01 32.76 1wjm s GLN 71 CO 0.46 -0.06 -0.16 0.20 -0.25 0.00 0.00 175.29 175.48 1wjm s GLY 72 N 0.37 1.16 0.08 3.09 0.00 -1.26 -1.13 107.32 109.62 1wjm s GLY 72 Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1wjm s GLY 72 CO -0.02 0.34 -0.06 -0.56 0.00 0.00 0.00 173.10 172.80 1wjm s SER 73 N 1.22 0.94 0.61 1.64 0.01 -0.28 -4.97 113.70 112.87 1wjm s SER 73 Ca -0.00 -0.93 -0.15 0.00 1.31 0.00 0.00 55.95 56.18 1wjm s SER 73 Cb -0.14 0.11 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1wjm s SER 73 CO -0.07 -0.45 1.06 -0.69 0.41 0.00 0.00 173.24 173.50 1wjm s VAL 74 N -3.31 3.75 -0.99 3.43 1.01 -1.26 0.12 120.40 123.16 1wjm s VAL 74 Ca 0.07 0.81 -0.04 0.00 0.00 0.00 0.00 61.98 62.82 1wjm s VAL 74 Cb 0.03 -3.35 0.26 0.00 0.00 0.00 0.00 36.38 33.32 1wjm s VAL 74 CO -0.05 -0.51 1.02 0.00 0.00 0.00 0.00 175.10 175.56 1wjm n ALA 75 N -2.15 4.21 -0.12 5.51 0.00 0.52 -4.41 120.51 124.07 1wjm n ALA 75 Ca 0.09 -4.67 -0.08 0.00 0.00 0.00 0.00 53.44 48.78 1wjm n ALA 75 Cb 0.53 -2.01 0.09 0.00 0.00 0.00 0.00 19.45 18.06 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 5.97 0.94 -0.10 0.00 0.04 -1.94 -3.09 116.94 118.75 1wjm h PHE 76 Ca 0.18 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.80 1wjm h PHE 76 Cb 0.78 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.64 1wjm h PHE 76 CO 0.78 0.93 -0.29 -0.44 -0.60 0.00 0.00 178.31 178.69 1wjm h ASP 77 N 0.75 -0.88 -0.16 2.17 3.32 -1.95 -3.39 116.42 116.29 1wjm h ASP 77 Ca 0.12 0.13 -0.40 0.00 0.02 0.00 0.00 57.03 56.89 1wjm h ASP 77 Cb 0.66 0.38 -0.09 0.00 0.22 0.00 0.00 39.33 40.50 1wjm h ASP 77 CO 0.05 -0.34 1.73 0.00 -1.72 0.00 0.00 179.24 178.96 1wjm n TYR 78 N -5.39 0.45 -1.65 4.55 9.36 -1.17 -4.73 117.16 118.58 1wjm n TYR 78 Ca -0.03 0.18 -0.34 0.00 3.32 0.00 0.00 57.90 61.02 1wjm n TYR 78 Cb 0.31 -1.67 0.02 0.00 -0.63 0.00 0.00 39.34 37.37 1wjm n TYR 78 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wjm n ARG 79 N 7.36 2.58 0.03 2.98 3.00 -1.26 -4.36 116.66 127.01 1wjm n ARG 79 Ca 0.63 -3.04 -0.00 0.00 -0.00 0.00 0.00 57.85 55.44 1wjm n ARG 79 Cb 0.15 -2.20 -0.00 0.00 0.00 0.00 0.00 32.46 30.41 1wjm n ARG 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1wjm n LYS 80 N -0.15 0.00 -4.67 -0.14 0.00 -1.26 -5.11 118.16 106.82 1wjm n LYS 80 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.52 1wjm n LYS 80 Cb 0.40 -0.35 -0.08 0.00 0.00 0.00 0.00 35.03 35.00 1wjm n LYS 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1wjm s ARG 81 N -1.70 2.12 0.44 1.64 0.52 -1.26 -5.16 118.95 115.56 1wjm s ARG 81 Ca -0.00 -2.28 0.08 0.00 -0.52 0.00 0.00 55.73 53.01 1wjm s ARG 81 Cb 0.00 -1.60 -0.00 0.00 0.52 0.00 0.00 34.95 33.87 1wjm s ARG 81 CO 0.00 -0.26 0.44 0.15 0.02 0.00 0.00 175.30 175.65 1wjm s LYS 82 N -3.84 2.54 -1.07 3.54 1.02 -1.26 -4.70 119.74 115.97 1wjm s LYS 82 Ca 0.17 -1.54 -0.18 0.00 0.02 0.00 0.00 55.97 54.44 1wjm s LYS 82 Cb 0.04 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.92 1wjm s LYS 82 CO 0.09 -0.29 0.77 -2.39 -0.92 0.00 0.00 175.35 172.61 1wjm n HIS 83 N -1.66 -2.00 -3.85 3.18 1.44 -1.26 -4.65 115.22 106.41 1wjm n HIS 83 Ca 0.05 0.53 -0.26 0.00 -2.01 0.00 0.00 57.72 56.03 1wjm n HIS 83 Cb 0.62 -3.40 -0.17 0.00 0.12 0.00 0.00 29.99 27.15 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wjm s VAL 84 N -3.37 0.85 -0.02 0.61 1.01 -1.26 -1.12 120.40 117.10 1wjm s VAL 84 Ca 0.39 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.11 1wjm s VAL 84 Cb -0.14 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1wjm s VAL 84 CO 0.86 0.22 -0.19 0.72 0.00 0.00 0.00 175.10 176.71 1wjm s PHE 85 N 1.76 1.71 0.16 5.22 -0.71 -1.01 0.19 117.98 125.31 1wjm s PHE 85 Ca 0.03 -0.35 -0.17 0.00 -1.04 0.00 0.00 56.93 55.40 1wjm s PHE 85 Cb -0.14 -1.11 -0.07 0.00 -1.21 0.00 0.00 43.02 40.49 1wjm s PHE 85 CO -0.07 -0.05 0.62 0.21 -1.34 0.00 0.00 175.22 174.59 1wjm s LYS 86 N -0.39 4.13 -0.33 1.99 2.20 0.31 -2.65 119.74 125.00 1wjm s LYS 86 Ca 0.06 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.37 1wjm s LYS 86 Cb -0.08 -2.98 0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1wjm s LYS 86 CO -0.00 0.48 0.08 -1.17 -0.36 0.00 0.00 175.35 174.38 1wjm s LEU 87 N -1.79 3.47 -0.35 5.43 2.96 0.13 -1.13 118.68 127.39 1wjm s LEU 87 Ca 0.38 -1.94 -0.17 0.00 -0.22 0.00 0.00 54.13 52.18 1wjm s LEU 87 Cb -0.17 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 1wjm s LEU 87 CO 0.20 -0.39 0.44 -0.83 -1.32 0.00 0.00 176.35 174.45 1wjm s GLY 88 N 1.20 1.86 0.68 7.98 0.00 -0.28 -0.67 107.32 118.09 1wjm s GLY 88 Ca 0.11 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1wjm s GLY 88 CO -0.16 1.14 0.73 1.04 0.00 0.00 0.00 173.10 175.85 1wjm n LEU 89 N 5.57 0.00 -0.01 0.66 4.77 0.39 -0.87 117.00 127.52 1wjm n LEU 89 Ca -0.07 -0.79 0.12 0.00 -0.03 0.00 0.00 56.01 55.24 1wjm n LEU 89 Cb 0.49 -0.62 0.31 0.00 -2.33 0.00 0.00 43.42 41.27 1wjm n LEU 89 CO 0.43 -1.43 0.54 0.00 -1.33 0.00 0.00 177.39 175.60 1wjm n GLN 90 N -3.17 0.03 -1.04 3.23 10.64 -1.26 -3.55 117.38 122.24 1wjm n GLN 90 Ca 0.10 -0.01 -0.11 0.00 -1.83 0.00 0.00 57.00 55.15 1wjm n GLN 90 Cb 0.36 -1.50 0.26 0.00 -0.86 0.00 0.00 30.24 28.49 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 -1.48 4.25 -2.15 2.61 2.03 -1.26 -4.87 116.55 115.68 1wjm n ASP 91 Ca 0.06 -3.39 -0.18 0.00 0.52 0.00 0.00 54.79 51.80 1wjm n ASP 91 Cb 0.34 -0.76 -0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 -0.57 -0.36 3.41 0.27 0.00 -1.23 -4.04 105.19 102.66 1wjm n GLY 92 Ca 0.45 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.02 2.90 -0.09 1.61 2.20 -1.26 -1.53 119.74 118.54 1wjm s LYS 93 Ca 0.05 -1.14 -0.04 0.00 -0.36 0.00 0.00 55.97 54.48 1wjm s LYS 93 Cb -0.02 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1wjm s LYS 93 CO 0.07 -0.81 0.09 -1.21 -0.36 0.00 0.00 175.35 173.13 1wjm s GLU 94 N 1.61 3.26 0.04 4.03 2.02 -1.04 0.15 118.70 128.77 1wjm s GLU 94 Ca 0.04 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1wjm s GLU 94 Cb -0.20 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1wjm s GLU 94 CO 0.08 0.74 -0.07 0.71 0.02 0.00 0.00 175.26 176.73 1wjm s TYR 95 N -1.02 0.61 -0.24 1.61 2.02 0.16 -1.91 117.35 118.58 1wjm s TYR 95 Ca 0.16 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1wjm s TYR 95 Cb -0.12 -0.37 0.05 0.00 -0.40 0.00 0.00 41.96 41.12 1wjm s TYR 95 CO 0.05 -0.10 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.31 1wjm s LEU 96 N -1.55 3.03 -0.04 -1.29 1.43 -1.07 0.22 118.68 119.41 1wjm s LEU 96 Ca -0.11 -1.21 0.03 0.00 -1.03 0.00 0.00 54.13 51.82 1wjm s LEU 96 Cb -0.10 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1wjm s LEU 96 CO 0.00 -0.16 -0.12 -0.36 0.23 0.00 0.00 176.35 175.94 1wjm s PHE 97 N 1.19 2.76 -0.26 0.29 0.08 -1.08 -1.37 117.98 119.59 1wjm s PHE 97 Ca -0.06 -0.11 -0.01 0.00 0.12 0.00 0.00 56.93 56.87 1wjm s PHE 97 Cb -0.18 -1.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1wjm s PHE 97 CO -0.07 0.24 -0.06 -1.14 -0.10 0.00 0.00 175.22 174.10 1wjm s GLN 98 N -0.87 2.73 0.00 0.44 0.74 -1.19 -2.41 119.66 119.11 1wjm s GLN 98 Ca 0.12 -1.05 0.00 0.00 0.05 0.00 0.00 55.36 54.49 1wjm s GLN 98 Cb -0.11 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1wjm s GLN 98 CO 0.02 -0.44 0.00 0.00 -0.55 0.00 0.00 175.29 174.31 1wjm n ALA 99 N 4.65 0.00 0.00 1.58 0.00 -0.27 -3.53 120.51 122.94 1wjm n ALA 99 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1wjm n ALA 99 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1wjm n ALA 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wjm n LYS 100 N 0.00 0.00 -2.50 0.00 4.81 -1.26 -4.94 118.16 114.27 1wjm n LYS 100 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1wjm n LYS 100 Cb 0.00 -0.81 -0.01 0.00 0.02 0.00 0.00 35.03 34.23 1wjm n LYS 100 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wjm n ASP 101 N -2.40 -0.60 0.00 3.14 8.00 -1.26 -4.86 116.55 118.57 1wjm n ASP 101 Ca 0.00 -1.76 0.05 0.00 0.71 0.00 0.00 54.79 53.79 1wjm n ASP 101 Cb 0.40 1.10 0.23 0.00 -0.02 0.00 0.00 41.12 42.83 1wjm n ASP 101 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wjm n GLU 102 N -0.23 0.03 0.00 -1.24 1.02 -1.26 -2.49 120.64 116.47 1wjm n GLU 102 Ca -0.00 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1wjm n GLU 102 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1wjm n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wjm n ALA 103 N -1.45 0.00 -0.30 0.62 0.00 -1.26 -2.61 120.51 115.51 1wjm n ALA 103 Ca 0.03 -0.10 0.18 0.00 0.00 0.00 0.00 53.44 53.56 1wjm n ALA 103 Cb 0.11 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.91 1wjm n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wjm n GLU 104 N -2.02 -0.06 0.25 0.00 4.07 -1.22 -0.44 120.64 121.22 1wjm n GLU 104 Ca 0.00 1.29 -0.10 0.00 -0.06 0.00 0.00 57.16 58.28 1wjm n GLU 104 Cb 0.00 -2.14 -0.05 0.00 -0.06 0.00 0.00 31.44 29.19 1wjm n GLU 104 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1wjm h MET 105 N 0.00 -0.65 -1.06 5.31 4.05 -1.68 -2.09 114.93 118.81 1wjm h MET 105 Ca 0.61 0.04 0.43 0.00 -0.28 0.00 0.00 59.70 60.50 1wjm h MET 105 Cb 1.42 0.15 -0.17 0.00 -0.80 0.00 0.00 31.60 32.19 1wjm h MET 105 CO -0.78 -0.44 0.59 0.77 0.23 0.00 0.00 176.91 177.29 1wjm h SER 106 N -1.02 0.31 0.05 1.39 0.02 -0.50 1.08 113.55 114.89 1wjm h SER 106 Ca -0.07 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1wjm h SER 106 Cb 0.52 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1wjm h SER 106 CO 0.11 -0.41 -0.03 0.28 -1.14 0.00 0.00 176.83 175.65 1wjm h SER 107 N 0.01 -0.06 -0.46 3.07 0.02 -0.77 -2.32 113.55 113.04 1wjm h SER 107 Ca 0.85 -0.31 0.05 0.00 -0.84 0.00 0.00 61.79 61.54 1wjm h SER 107 Cb 2.32 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 64.80 1wjm h SER 107 CO -0.72 0.28 -0.45 -0.50 -1.14 0.00 0.00 176.83 174.31 1wjm h TRP 108 N -0.42 -1.39 -0.67 3.45 4.06 0.19 0.66 115.95 121.83 1wjm h TRP 108 Ca -0.01 0.08 0.13 0.00 2.06 0.00 0.00 58.89 61.15 1wjm h TRP 108 Cb 0.37 0.67 -0.13 0.00 -1.00 0.00 0.00 29.16 29.07 1wjm h TRP 108 CO 0.04 -0.36 -0.24 -0.07 -3.56 0.00 0.00 178.44 174.25 1wjm h LEU 109 N -0.22 -0.86 -1.74 -4.49 -0.00 -1.32 2.05 115.31 108.73 1wjm h LEU 109 Ca 0.08 0.22 0.12 0.00 -0.00 0.00 0.00 57.88 58.30 1wjm h LEU 109 Cb 0.42 0.50 -0.03 0.00 -0.00 0.00 0.00 40.66 41.55 1wjm h LEU 109 CO -0.55 -0.26 0.40 -0.09 -0.00 0.00 0.00 178.44 177.94 1wjm h ARG 110 N -0.06 0.27 0.00 1.13 2.43 0.09 0.73 114.38 118.96 1wjm h ARG 110 Ca 0.30 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1wjm h ARG 110 Cb 0.54 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1wjm h ARG 110 CO -0.72 0.18 -0.08 0.28 -1.51 0.00 0.00 179.97 178.12 1wjm h VAL 111 N 0.28 0.74 -1.00 0.20 2.07 0.71 -1.74 116.25 117.50 1wjm h VAL 111 Ca 0.28 -1.57 0.20 0.00 0.82 0.00 0.00 66.70 66.43 1wjm h VAL 111 Cb 0.73 1.42 -0.11 0.00 -1.52 0.00 0.00 31.29 31.81 1wjm h VAL 111 CO -0.06 0.25 0.61 0.58 0.02 0.00 0.00 177.57 178.97 1wjm h VAL 112 N -1.00 0.67 -0.19 2.57 2.07 0.31 0.83 116.25 121.51 1wjm h VAL 112 Ca -0.01 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.09 1wjm h VAL 112 Cb 0.47 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1wjm h VAL 112 CO -0.01 0.13 -0.61 0.78 0.02 0.00 0.00 177.57 177.88 1wjm h ASN 113 N 0.69 0.71 0.94 0.57 2.35 0.37 0.12 115.58 121.33 1wjm h ASN 113 Ca 0.58 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1wjm h ASN 113 Cb 1.01 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1wjm h ASN 113 CO -0.37 1.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.56 1wjm h ALA 114 N 0.85 1.00 0.08 -0.83 0.00 0.92 -2.41 119.26 118.88 1wjm h ALA 114 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1wjm h ALA 114 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1wjm h ALA 114 CO 0.12 0.00 -1.90 0.00 0.00 0.00 0.00 179.25 177.47 1wjm n ALA 115 N -1.86 0.92 0.31 0.00 0.00 0.23 -3.37 120.51 116.75 1wjm n ALA 115 Ca 0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 53.44 52.65 1wjm n ALA 115 Cb 0.28 -0.58 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.21 0.05 0.00 0.00 2.04 -0.58 -1.96 117.51 116.85 1wjm h ILE 116 Ca -0.43 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1wjm h ILE 116 Cb 1.85 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 1wjm h ILE 116 CO -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.66 1wjm h ALA 117 N -0.81 -0.81 -1.20 1.87 0.00 -1.64 0.16 119.26 116.82 1wjm h ALA 117 Ca -0.06 -0.06 0.43 0.00 0.00 0.00 0.00 54.91 55.21 1wjm h ALA 117 Cb 0.86 0.85 -0.14 0.00 0.00 0.00 0.00 17.79 19.36 1wjm h ALA 117 CO -0.04 -1.04 0.75 0.45 0.00 0.00 0.00 179.25 179.37 1wjm n SER 118 N -5.46 0.23 -3.39 0.00 2.88 -1.10 -4.18 113.62 102.59 1wjm n SER 118 Ca -0.07 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1wjm n SER 118 Cb 0.39 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wjm n GLY 119 N -1.43 -0.88 0.00 0.46 0.00 0.55 -4.93 105.19 98.95 1wjm n GLY 119 Ca 0.37 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.15 0.00 1.61 -0.04 -1.26 -4.32 135.00 130.84 1wjm n PRO 120 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wjm n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1wjm n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wjm n SER 121 N -2.28 0.00 -4.81 3.54 2.88 -1.26 -4.62 113.62 107.06 1wjm n SER 121 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1wjm n SER 121 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1wjm n SER 121 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wjm s SER 122 N 0.00 4.83 0.00 -3.46 0.15 -1.26 -5.14 113.70 108.83 1wjm s SER 122 Ca 0.00 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.83 1wjm s SER 122 Cb 0.00 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1wjm s SER 122 CO 0.00 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.51