#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjm n SER 2 N 0.00 -8.34 0.11 1.61 2.88 -1.26 -4.99 113.62 103.63 1wjm n SER 2 Ca 0.00 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1wjm n SER 2 Cb 0.00 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 1wjm n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wjm n SER 3 N -4.24 -0.02 -0.02 -3.46 7.64 -1.26 -4.81 113.62 107.44 1wjm n SER 3 Ca -0.04 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wjm n SER 3 Cb 0.65 0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1wjm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 4 N 1.73 -1.40 3.77 0.23 0.00 -1.26 -4.93 105.19 103.32 1wjm n GLY 4 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 1wjm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wjm s SER 5 N -2.63 3.93 0.36 1.61 1.04 -1.26 -4.86 113.70 111.89 1wjm s SER 5 Ca 0.00 1.32 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1wjm s SER 5 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1wjm s SER 5 CO 0.00 -2.33 0.00 -1.20 0.98 0.00 0.00 173.24 170.69 1wjm n SER 6 N -3.66 -6.43 -2.14 7.02 7.64 -1.26 -5.04 113.62 109.75 1wjm n SER 6 Ca 0.07 0.76 -0.06 0.00 1.01 0.00 0.00 58.87 60.64 1wjm n SER 6 Cb 0.56 -3.86 0.01 0.00 -1.01 0.00 0.00 64.21 59.91 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 7 N -3.69 1.63 3.34 0.23 0.00 -1.26 -5.10 105.19 100.33 1wjm n GLY 7 Ca -0.03 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.16 2.98 0.10 1.61 2.02 -1.26 -5.06 118.70 116.93 1wjm s GLU 8 Ca 0.12 -1.56 -0.03 0.00 0.02 0.00 0.00 54.97 53.52 1wjm s GLU 8 Cb -0.02 -4.22 -0.05 0.00 0.10 0.00 0.00 34.13 29.93 1wjm s GLU 8 CO 0.09 -1.20 0.30 -0.65 0.02 0.00 0.00 175.26 173.81 1wjm s GLN 9 N 1.61 3.54 -0.19 1.61 -0.21 -1.26 -4.70 119.66 120.07 1wjm s GLN 9 Ca 0.03 -0.23 -0.12 0.00 0.02 0.00 0.00 55.36 55.07 1wjm s GLN 9 Cb -0.28 -2.95 0.06 0.00 1.00 0.00 0.00 33.01 30.85 1wjm s GLN 9 CO 0.04 0.54 0.46 1.41 -2.12 0.00 0.00 175.29 175.62 1wjm s MET 10 N -2.52 0.47 -0.13 2.91 1.75 -1.21 -5.02 119.30 115.55 1wjm s MET 10 Ca 0.37 0.82 -0.07 0.00 -1.25 0.00 0.00 55.69 55.57 1wjm s MET 10 Cb -0.13 0.06 0.05 0.00 2.84 0.00 0.00 34.83 37.65 1wjm s MET 10 CO 0.25 -0.14 0.30 -1.83 -0.65 0.00 0.00 175.02 172.96 1wjm s GLU 11 N 1.19 0.27 -0.11 4.11 1.03 -1.26 0.31 118.70 124.24 1wjm s GLU 11 Ca -0.08 0.62 -0.33 0.00 0.03 0.00 0.00 54.97 55.21 1wjm s GLU 11 Cb -0.07 -0.08 0.12 0.00 -0.80 0.00 0.00 34.13 33.30 1wjm s GLU 11 CO -0.11 -0.16 1.10 0.20 -1.33 0.00 0.00 175.26 174.97 1wjm s GLY 12 N 1.29 -0.35 0.07 -3.83 0.00 -0.50 -5.00 107.32 98.99 1wjm s GLY 12 Ca -0.09 1.33 -0.30 0.00 0.00 0.00 0.00 44.72 45.66 1wjm s GLY 12 CO -0.10 0.44 1.86 1.06 0.00 0.00 0.00 173.10 176.36 1wjm s MET 13 N -2.66 4.15 0.03 2.90 -1.94 -1.26 -2.00 119.30 118.51 1wjm s MET 13 Ca 0.08 2.56 -0.04 0.00 -1.71 0.00 0.00 55.69 56.58 1wjm s MET 13 Cb -0.01 -3.85 -0.02 0.00 2.01 0.00 0.00 34.83 32.96 1wjm s MET 13 CO -0.06 -0.88 0.05 -0.51 -0.01 0.00 0.00 175.02 173.62 1wjm s LEU 14 N 3.53 1.97 -0.72 -0.03 1.02 -1.09 -4.71 118.68 118.65 1wjm s LEU 14 Ca 0.83 -0.57 -0.18 0.00 0.02 0.00 0.00 54.13 54.23 1wjm s LEU 14 Cb -0.43 0.45 0.13 0.00 0.02 0.00 0.00 46.19 46.36 1wjm s LEU 14 CO 0.38 -0.47 0.82 0.00 0.02 0.00 0.00 176.35 177.09 1wjm s ARG 16 N 2.20 4.07 -0.25 0.00 3.52 -1.00 -2.94 118.95 124.55 1wjm s ARG 16 Ca 0.18 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 1wjm s ARG 16 Cb -0.17 -3.66 0.07 0.00 -1.56 0.00 0.00 34.95 29.62 1wjm s ARG 16 CO -0.00 -0.45 -0.05 0.21 -0.81 0.00 0.00 175.30 174.20 1wjm s LYS 17 N 2.54 1.66 -0.31 5.12 2.20 -0.19 -3.73 119.74 127.03 1wjm s LYS 17 Ca 0.26 -1.12 -0.28 0.00 -0.36 0.00 0.00 55.97 54.46 1wjm s LYS 17 Cb -0.15 -2.66 -0.02 0.00 -1.51 0.00 0.00 37.83 33.49 1wjm s LYS 17 CO 0.09 -0.64 1.77 -1.14 -0.36 0.00 0.00 175.35 175.07 1wjm s GLN 18 N 1.32 3.41 -0.12 4.03 0.74 -1.26 -1.98 119.66 125.80 1wjm s GLN 18 Ca -0.04 1.46 -0.04 0.00 0.05 0.00 0.00 55.36 56.79 1wjm s GLN 18 Cb -0.19 -4.17 -0.01 0.00 1.10 0.00 0.00 33.01 29.74 1wjm s GLN 18 CO -0.07 -1.76 -0.08 0.93 -0.55 0.00 0.00 175.29 173.76 1wjm h GLU 19 N 12.51 0.00 -6.51 1.67 3.07 -1.49 -3.41 114.58 120.42 1wjm h GLU 19 Ca -0.34 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.90 1wjm h GLU 19 Cb 1.17 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.86 1wjm h GLU 19 CO 1.03 0.00 -0.85 -1.64 -1.40 0.00 0.00 179.01 176.15 1wjm s MET 20 N -1.84 1.26 -0.00 2.33 -1.94 -1.13 -2.14 119.30 115.83 1wjm s MET 20 Ca -0.06 -1.26 0.18 0.00 -1.71 0.00 0.00 55.69 52.83 1wjm s MET 20 Cb 0.01 -1.63 -0.20 0.00 2.01 0.00 0.00 34.83 35.01 1wjm s MET 20 CO 0.09 0.38 0.70 -1.91 -0.01 0.00 0.00 175.02 174.28 1wjm n GLU 21 N 0.97 1.09 0.00 2.03 2.13 -0.46 -2.53 120.64 123.86 1wjm n GLU 21 Ca -0.19 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1wjm n GLU 21 Cb 0.53 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.90 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 -1.51 0.00 -1.37 4.31 0.00 -0.92 -4.53 120.51 116.49 1wjm n ALA 22 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.93 1wjm n ALA 22 Cb 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.35 1.32 0.00 0.00 3.72 -1.24 0.12 117.46 121.02 1wjm n PHE 23 Ca 0.00 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1wjm n PHE 23 Cb 0.00 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.12 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 6.92 2.37 3.70 1.37 0.00 -1.26 -4.98 105.19 113.30 1wjm n GLY 24 Ca 0.49 -0.17 -0.42 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 0.00 4.39 -0.08 1.61 2.36 0.33 -5.02 119.74 123.33 1wjm s LYS 25 Ca 0.00 1.76 -0.00 0.00 -2.55 0.00 0.00 55.97 55.18 1wjm s LYS 25 Cb 0.00 -3.44 -0.03 0.00 -1.05 0.00 0.00 37.83 33.31 1wjm s LYS 25 CO 0.00 -0.35 -0.05 -1.59 1.55 0.00 0.00 175.35 174.90 1wjm s LYS 26 N 1.59 2.92 -0.09 4.03 0.00 -1.26 -1.36 119.74 125.56 1wjm s LYS 26 Ca 0.58 -0.52 -0.34 0.00 0.00 0.00 0.00 55.97 55.69 1wjm s LYS 26 Cb -0.28 -2.67 -0.12 0.00 0.00 0.00 0.00 37.83 34.77 1wjm s LYS 26 CO 0.26 0.61 1.89 0.00 0.00 0.00 0.00 175.35 178.12 1wjm n ALA 27 N 2.39 0.88 -0.37 0.59 0.00 -0.91 -4.63 120.51 118.47 1wjm n ALA 27 Ca -0.18 0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 1wjm n ALA 27 Cb 0.53 -2.50 0.04 0.00 0.00 0.00 0.00 19.45 17.51 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 9.32 0.13 -2.96 0.00 0.00 -1.92 -3.31 119.26 120.52 1wjm h ALA 28 Ca -0.48 0.27 -0.66 0.00 0.00 0.00 0.00 54.91 54.04 1wjm h ALA 28 Cb 1.27 1.00 -0.23 0.00 0.00 0.00 0.00 17.79 19.83 1wjm h ALA 28 CO 0.95 -0.63 -0.63 1.21 0.00 0.00 0.00 179.25 180.15 1wjm s ASN 29 N -5.34 5.10 -0.75 0.00 3.84 -1.26 -5.02 114.94 111.50 1wjm s ASN 29 Ca -0.14 -0.32 0.03 0.00 0.21 0.00 0.00 52.86 52.65 1wjm s ASN 29 Cb 0.20 -1.91 0.25 0.00 -0.55 0.00 0.00 41.25 39.24 1wjm s ASN 29 CO 0.71 -0.07 0.84 0.54 -2.79 0.00 0.00 177.10 176.34 1wjm n ARG 30 N 4.91 2.79 -4.46 0.43 1.74 -1.25 -4.74 116.66 116.08 1wjm n ARG 30 Ca -0.16 -4.61 -0.24 0.00 -0.77 0.00 0.00 57.85 52.07 1wjm n ARG 30 Cb 0.51 -2.32 -0.10 0.00 -1.02 0.00 0.00 32.46 29.52 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 -1.96 3.52 -0.05 0.55 1.04 -1.26 -5.02 113.70 110.52 1wjm s SER 31 Ca 0.35 -1.00 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 1wjm s SER 31 Cb 0.08 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 1wjm s SER 31 CO -0.03 0.04 0.63 0.26 0.98 0.00 0.00 173.24 175.13 1wjm s TRP 32 N -2.40 3.61 -0.10 5.02 0.52 -1.26 -4.51 118.94 119.83 1wjm s TRP 32 Ca 0.28 1.18 -0.05 0.00 0.02 0.00 0.00 56.10 57.54 1wjm s TRP 32 Cb -0.05 -2.69 0.05 0.00 -1.15 0.00 0.00 33.47 29.62 1wjm s TRP 32 CO 0.14 0.21 0.23 -0.65 0.02 0.00 0.00 176.95 176.90 1wjm s GLN 33 N 0.36 0.19 -0.47 4.98 1.11 -1.24 -5.06 119.66 119.53 1wjm s GLN 33 Ca 0.33 0.52 -0.27 0.00 0.01 0.00 0.00 55.36 55.95 1wjm s GLN 33 Cb -0.18 -0.13 -0.03 0.00 -1.01 0.00 0.00 33.01 31.66 1wjm s GLN 33 CO 0.17 -0.17 1.99 -0.80 0.01 0.00 0.00 175.29 176.49 1wjm s ASN 34 N 1.30 5.29 -0.14 5.90 -0.87 -1.26 -2.38 114.94 122.78 1wjm s ASN 34 Ca -0.09 0.93 0.02 0.00 -1.57 0.00 0.00 52.86 52.15 1wjm s ASN 34 Cb -0.11 -2.52 0.01 0.00 -0.02 0.00 0.00 41.25 38.61 1wjm s ASN 34 CO -0.08 -2.25 -0.21 -0.69 -2.57 0.00 0.00 177.10 171.29 1wjm s VAL 35 N 9.04 2.14 -0.39 1.60 1.01 0.10 -4.87 120.40 129.04 1wjm s VAL 35 Ca 0.80 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1wjm s VAL 35 Cb -0.18 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1wjm s VAL 35 CO 0.27 0.55 1.76 -0.47 0.00 0.00 0.00 175.10 177.20 1wjm s TYR 36 N 0.81 1.86 0.03 5.22 5.04 0.11 -2.69 117.35 127.73 1wjm s TYR 36 Ca -0.07 0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 54.92 1wjm s TYR 36 Cb -0.15 -4.15 -0.05 0.00 0.35 0.00 0.00 41.96 37.96 1wjm s TYR 36 CO -0.02 -2.70 1.16 0.00 -1.34 0.00 0.00 175.55 172.65 1wjm s VAL 38 N 1.25 1.15 -0.09 0.00 1.01 0.19 -1.41 120.40 122.50 1wjm s VAL 38 Ca 0.57 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1wjm s VAL 38 Cb -0.27 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1wjm s VAL 38 CO 0.28 -0.39 0.31 -0.22 0.00 0.00 0.00 175.10 175.08 1wjm s LEU 39 N 1.53 4.37 -0.17 3.92 2.96 0.15 0.17 118.68 131.60 1wjm s LEU 39 Ca 0.03 0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 54.32 1wjm s LEU 39 Cb -0.18 -2.40 0.13 0.00 0.50 0.00 0.00 46.19 44.24 1wjm s LEU 39 CO -0.14 0.25 1.00 -0.60 -1.32 0.00 0.00 176.35 175.55 1wjm s ARG 40 N -0.45 0.58 -0.24 1.98 6.06 -0.26 -3.29 118.95 123.33 1wjm s ARG 40 Ca 0.19 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.62 1wjm s ARG 40 Cb -0.14 0.28 0.00 0.00 0.06 0.00 0.00 34.95 35.14 1wjm s ARG 40 CO 0.08 -0.17 0.00 -2.13 -2.50 0.00 0.00 175.30 170.58 1wjm n ARG 41 N 0.91 -2.79 -2.73 5.12 0.63 -1.26 0.95 116.66 117.49 1wjm n ARG 41 Ca -0.11 0.13 -0.09 0.00 -0.92 0.00 0.00 57.85 56.87 1wjm n ARG 41 Cb 0.58 -4.65 0.05 0.00 0.45 0.00 0.00 32.46 28.89 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wjm n GLY 42 N -0.56 -0.00 3.34 5.14 0.00 -1.26 -4.40 105.19 107.45 1wjm n GLY 42 Ca -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.67 -0.51 -0.46 1.61 1.04 0.27 -3.67 113.70 108.31 1wjm s SER 43 Ca 0.02 1.06 -0.22 0.00 0.48 0.00 0.00 55.95 57.30 1wjm s SER 43 Cb -0.00 1.20 0.03 0.00 0.10 0.00 0.00 66.02 67.34 1wjm s SER 43 CO 0.39 -0.22 0.72 -0.22 0.98 0.00 0.00 173.24 174.89 1wjm s LEU 44 N 2.03 4.41 0.02 2.42 2.96 -0.94 -1.11 118.68 128.47 1wjm s LEU 44 Ca -0.06 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1wjm s LEU 44 Cb -0.10 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1wjm s LEU 44 CO -0.14 -0.87 0.20 -0.83 -1.32 0.00 0.00 176.35 173.39 1wjm s GLY 45 N 2.16 2.19 -0.08 7.98 0.00 0.45 -1.04 107.32 118.98 1wjm s GLY 45 Ca 0.26 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.21 1wjm s GLY 45 CO 0.20 -0.69 -0.09 -1.36 0.00 0.00 0.00 173.10 171.16 1wjm s PHE 46 N -1.39 2.87 0.15 1.90 0.08 -1.26 0.54 117.98 120.87 1wjm s PHE 46 Ca 0.30 -0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.16 1wjm s PHE 46 Cb -0.13 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1wjm s PHE 46 CO 0.22 0.22 0.26 0.71 -0.10 0.00 0.00 175.22 176.52 1wjm s TYR 47 N -0.59 0.37 0.07 0.36 1.51 -0.83 -3.58 117.35 114.67 1wjm s TYR 47 Ca 0.09 -0.75 -0.34 0.00 -1.01 0.00 0.00 57.07 55.06 1wjm s TYR 47 Cb -0.12 -0.07 -0.17 0.00 -0.11 0.00 0.00 41.96 41.49 1wjm s TYR 47 CO 0.02 -0.68 1.52 -0.22 -1.11 0.00 0.00 175.55 175.08 1wjm h LYS 48 N 2.59 -1.00 0.00 -0.62 3.64 -1.88 0.31 116.57 119.61 1wjm h LYS 48 Ca -0.32 0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1wjm h LYS 48 Cb 1.22 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 1wjm h LYS 48 CO 0.50 -0.67 0.06 -0.40 -2.27 0.00 0.00 179.45 176.68 1wjm n ASP 49 N -5.33 -1.52 0.29 4.20 5.68 -1.26 -3.83 116.55 114.79 1wjm n ASP 49 Ca -0.13 -2.42 0.20 0.00 -0.50 0.00 0.00 54.79 51.94 1wjm n ASP 49 Cb 0.45 2.64 0.99 0.00 -1.14 0.00 0.00 41.12 44.05 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 1.97 1.00 0.00 2.12 0.00 -1.95 0.40 119.26 122.80 1wjm h ALA 50 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wjm h ALA 50 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wjm h ALA 50 CO 0.33 0.00 -0.37 0.87 0.00 0.00 0.00 179.25 180.08 1wjm h LYS 51 N 0.00 0.00 0.04 0.00 6.56 -1.99 -2.86 116.57 118.31 1wjm h LYS 51 Ca 0.00 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.24 1wjm h LYS 51 Cb 0.13 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.74 1wjm h LYS 51 CO 0.00 0.00 -2.11 0.00 -2.06 0.00 0.00 179.45 175.28 1wjm n ALA 52 N -1.99 1.31 -0.22 3.86 0.00 0.11 -3.38 120.51 120.20 1wjm n ALA 52 Ca 0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 53.44 52.47 1wjm n ALA 52 Cb 0.49 -0.49 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.51 0.84 -0.35 0.00 0.00 -0.80 1.05 119.26 120.52 1wjm h ALA 53 Ca -0.45 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.06 1wjm h ALA 53 Cb 2.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1wjm h ALA 53 CO 0.03 0.64 -0.25 1.03 0.00 0.00 0.00 179.25 180.70 1wjm h SER 54 N 0.98 0.71 -0.02 0.00 0.87 -1.67 -1.64 113.55 112.78 1wjm h SER 54 Ca 0.19 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1wjm h SER 54 Cb 0.49 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1wjm h SER 54 CO 0.02 0.94 0.00 0.00 -0.53 0.00 0.00 176.83 177.26 1wjm n ALA 55 N -2.50 2.63 -3.32 6.23 0.00 -1.00 -4.88 120.51 117.66 1wjm n ALA 55 Ca -0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 1wjm n ALA 55 Cb 0.44 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.59 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 0.99 -0.53 3.52 0.00 0.00 0.14 -4.96 105.19 104.36 1wjm n GLY 56 Ca 0.19 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.21 5.11 0.11 1.61 1.01 0.34 -5.00 120.40 120.38 1wjm s VAL 57 Ca 0.44 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1wjm s VAL 57 Cb -0.20 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1wjm s VAL 57 CO 0.54 0.07 1.14 -2.16 0.00 0.00 0.00 175.10 174.69 1wjm s PRO 58 N 1.70 4.51 0.08 2.72 0.04 -1.26 -4.26 135.00 138.53 1wjm s PRO 58 Ca 0.06 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 1wjm s PRO 58 Cb -0.17 -3.32 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 1wjm s PRO 58 CO 0.09 -0.10 1.32 -0.92 0.04 0.00 0.00 177.00 177.44 1wjm h TYR 59 N 6.02 -1.03 -1.21 0.56 3.20 -1.85 -3.10 116.97 119.56 1wjm h TYR 59 Ca -0.43 0.05 -0.52 0.00 3.14 0.00 0.00 58.73 60.98 1wjm h TYR 59 Cb 1.21 0.49 -0.42 0.00 1.54 0.00 0.00 36.73 39.56 1wjm h TYR 59 CO 0.65 -0.27 -0.86 0.72 -1.64 0.00 0.00 178.16 176.76 1wjm n HIS 60 N -4.28 2.74 -1.71 -3.82 8.25 -1.26 -4.87 115.22 110.27 1wjm n HIS 60 Ca -0.01 -2.82 -0.11 0.00 -0.26 0.00 0.00 57.72 54.52 1wjm n HIS 60 Cb 0.19 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.46 0.50 3.88 -1.41 0.00 -1.17 -4.90 105.19 101.62 1wjm n GLY 61 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.65 3.67 0.40 1.61 2.02 -1.26 -5.05 118.70 116.43 1wjm s GLU 62 Ca 0.00 0.53 0.08 0.00 0.02 0.00 0.00 54.97 55.60 1wjm s GLU 62 Cb 0.00 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 31.97 1wjm s GLU 62 CO 0.00 -0.28 0.47 0.14 0.02 0.00 0.00 175.26 175.61 1wjm s VAL 63 N -2.77 3.11 0.28 2.63 -7.23 -1.26 -4.83 120.40 110.33 1wjm s VAL 63 Ca 0.52 -1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 1wjm s VAL 63 Cb -0.10 -3.08 -0.09 0.00 0.56 0.00 0.00 36.38 33.66 1wjm s VAL 63 CO 0.43 -0.04 1.08 -2.16 -0.31 0.00 0.00 175.10 174.09 1wjm s PRO 64 N -4.22 4.64 -0.16 4.82 0.04 -1.26 -4.69 135.00 134.17 1wjm s PRO 64 Ca 0.50 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 1wjm s PRO 64 Cb -0.07 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1wjm s PRO 64 CO 0.31 0.23 0.73 0.14 0.04 0.00 0.00 177.00 178.44 1wjm s VAL 65 N -1.19 4.97 0.08 -0.36 -7.23 -0.21 -4.84 120.40 111.62 1wjm s VAL 65 Ca 0.45 1.43 -0.31 0.00 -1.81 0.00 0.00 61.98 61.74 1wjm s VAL 65 Cb -0.31 -4.05 -0.07 0.00 0.56 0.00 0.00 36.38 32.51 1wjm s VAL 65 CO 0.39 0.11 1.43 -0.94 -0.31 0.00 0.00 175.10 175.78 1wjm s SER 66 N 1.09 6.80 -0.38 4.85 1.04 -1.26 -2.21 113.70 123.62 1wjm s SER 66 Ca 0.35 2.29 -0.00 0.00 0.48 0.00 0.00 55.95 59.07 1wjm s SER 66 Cb -0.17 -2.58 0.30 0.00 0.10 0.00 0.00 66.02 63.68 1wjm s SER 66 CO 0.13 -0.71 1.92 0.18 0.98 0.00 0.00 173.24 175.74 1wjm n LEU 67 N 4.58 6.45 -4.62 2.42 4.77 -1.24 -4.85 117.00 124.50 1wjm n LEU 67 Ca 0.13 -3.38 -0.42 0.00 -0.03 0.00 0.00 56.01 52.31 1wjm n LEU 67 Cb 0.42 -0.96 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1wjm n LEU 67 CO 0.59 1.19 0.57 0.00 -1.33 0.00 0.00 177.39 178.41 1wjm s ALA 68 N -2.25 3.57 -1.52 -1.18 0.00 -1.26 -3.59 121.76 115.53 1wjm s ALA 68 Ca 0.38 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1wjm s ALA 68 Cb 0.31 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1wjm s ALA 68 CO 0.01 -1.07 0.00 0.54 0.00 0.00 0.00 175.76 175.24 1wjm n ARG 69 N 6.08 -1.24 -2.68 0.00 1.74 -1.26 -4.50 116.66 114.79 1wjm n ARG 69 Ca 0.03 0.90 -0.21 0.00 -0.77 0.00 0.00 57.85 57.80 1wjm n ARG 69 Cb 0.48 -5.23 0.03 0.00 -1.02 0.00 0.00 32.46 26.73 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 -2.74 3.91 -0.01 7.54 0.00 -1.24 -4.02 121.76 125.21 1wjm s ALA 70 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.67 1wjm s ALA 70 Cb 0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 1wjm s ALA 70 CO 0.00 -0.70 -0.11 -0.65 0.00 0.00 0.00 175.76 174.30 1wjm s GLN 71 N -4.73 0.86 -0.13 0.00 -1.52 -0.10 -4.97 119.66 109.06 1wjm s GLN 71 Ca 0.57 -0.38 -0.01 0.00 -1.95 0.00 0.00 55.36 53.59 1wjm s GLN 71 Cb -0.10 -0.83 0.03 0.00 -0.22 0.00 0.00 33.01 31.89 1wjm s GLN 71 CO 0.38 0.23 -0.05 0.20 -0.25 0.00 0.00 175.29 175.80 1wjm s GLY 72 N -0.25 0.83 0.13 3.09 0.00 -1.26 -1.12 107.32 108.74 1wjm s GLY 72 Ca 0.04 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.17 1wjm s GLY 72 CO -0.00 0.93 -0.05 -0.45 0.00 0.00 0.00 173.10 173.52 1wjm s SER 73 N 1.72 1.29 0.73 1.64 0.15 -0.29 -5.01 113.70 113.92 1wjm s SER 73 Ca 0.03 -1.06 -0.12 0.00 0.70 0.00 0.00 55.95 55.50 1wjm s SER 73 Cb -0.14 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1wjm s SER 73 CO -0.08 -0.47 1.09 -0.69 1.20 0.00 0.00 173.24 174.29 1wjm s VAL 74 N -3.58 3.47 -0.92 4.45 1.01 -1.26 0.16 120.40 123.73 1wjm s VAL 74 Ca 0.17 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 1wjm s VAL 74 Cb 0.05 -3.06 0.28 0.00 0.00 0.00 0.00 36.38 33.65 1wjm s VAL 74 CO -0.01 -0.58 1.15 0.00 0.00 0.00 0.00 175.10 175.66 1wjm n ALA 75 N -3.18 4.63 -0.21 5.51 0.00 0.47 -4.23 120.51 123.49 1wjm n ALA 75 Ca 0.09 -4.77 -0.04 0.00 0.00 0.00 0.00 53.44 48.72 1wjm n ALA 75 Cb 0.53 -1.81 0.06 0.00 0.00 0.00 0.00 19.45 18.23 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 5.13 0.71 -0.69 0.00 -1.00 -1.94 -2.94 116.94 116.22 1wjm h PHE 76 Ca 0.19 0.02 0.06 0.00 2.81 0.00 0.00 57.97 61.06 1wjm h PHE 76 Cb 0.66 -0.23 -0.09 0.00 3.61 0.00 0.00 35.95 39.90 1wjm h PHE 76 CO 0.88 0.41 -0.43 0.22 -1.61 0.00 0.00 178.31 177.77 1wjm h ASP 77 N 0.75 -1.58 -0.92 2.17 1.82 -1.95 -3.39 116.42 113.31 1wjm h ASP 77 Ca 0.25 0.24 -0.81 0.00 -0.39 0.00 0.00 57.03 56.32 1wjm h ASP 77 Cb 0.02 0.69 0.01 0.00 0.68 0.00 0.00 39.33 40.73 1wjm h ASP 77 CO -0.10 -0.19 0.60 0.00 -1.61 0.00 0.00 179.24 177.95 1wjm n TYR 78 N -4.67 1.56 -0.13 0.28 4.19 -1.11 -4.84 117.16 112.45 1wjm n TYR 78 Ca 0.01 1.06 -0.24 0.00 3.31 0.00 0.00 57.90 62.04 1wjm n TYR 78 Cb 0.20 -2.05 -0.10 0.00 0.49 0.00 0.00 39.34 37.88 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 3.56 0.56 0.00 2.98 3.00 -1.26 -4.78 116.66 120.72 1wjm n ARG 79 Ca 0.28 0.21 0.00 0.00 -0.01 0.00 0.00 57.85 58.33 1wjm n ARG 79 Cb -0.05 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 30.98 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1wjm n LYS 80 N -3.84 0.00 -2.03 5.56 5.02 -1.26 -4.66 118.16 116.95 1wjm n LYS 80 Ca -0.48 0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.50 1wjm n LYS 80 Cb 0.89 -0.77 0.01 0.00 -0.02 0.00 0.00 35.03 35.14 1wjm n LYS 80 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wjm s ARG 81 N -0.54 3.54 0.45 1.97 0.52 -1.26 -5.03 118.95 118.60 1wjm s ARG 81 Ca 0.00 2.03 0.07 0.00 -0.52 0.00 0.00 55.73 57.30 1wjm s ARG 81 Cb 0.00 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.05 1wjm s ARG 81 CO 0.00 -0.80 0.28 0.15 0.02 0.00 0.00 175.30 174.95 1wjm s LYS 82 N -2.71 2.31 -1.05 3.54 1.02 -1.26 -4.75 119.74 116.84 1wjm s LYS 82 Ca 0.66 -1.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.62 1wjm s LYS 82 Cb -0.35 -2.09 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 1wjm s LYS 82 CO 0.42 -0.28 0.69 0.72 -0.92 0.00 0.00 175.35 175.99 1wjm n HIS 83 N -1.45 -1.83 -4.42 3.18 8.25 -1.26 -4.59 115.22 113.09 1wjm n HIS 83 Ca -0.01 0.47 -0.20 0.00 -0.26 0.00 0.00 57.72 57.72 1wjm n HIS 83 Cb 0.64 -3.05 -0.15 0.00 1.12 0.00 0.00 29.99 28.55 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1wjm s VAL 84 N -3.31 0.81 0.08 1.59 1.01 -1.26 -1.17 120.40 118.15 1wjm s VAL 84 Ca 0.31 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.95 1wjm s VAL 84 Cb -0.15 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1wjm s VAL 84 CO 0.91 0.24 -0.18 0.72 0.00 0.00 0.00 175.10 176.79 1wjm s PHE 85 N -0.07 1.52 -0.13 5.22 -0.71 -0.97 0.18 117.98 123.02 1wjm s PHE 85 Ca 0.01 -0.43 -0.08 0.00 -1.04 0.00 0.00 56.93 55.39 1wjm s PHE 85 Cb -0.06 -0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 40.86 1wjm s PHE 85 CO -0.00 0.13 0.16 0.21 -1.34 0.00 0.00 175.22 174.38 1wjm s LYS 86 N -1.77 3.61 -0.27 1.99 2.20 0.43 -2.44 119.74 123.49 1wjm s LYS 86 Ca 0.03 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1wjm s LYS 86 Cb -0.10 -3.23 0.07 0.00 -1.51 0.00 0.00 37.83 33.06 1wjm s LYS 86 CO 0.03 0.69 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.49 1wjm s LEU 87 N -0.78 3.50 -0.30 5.43 2.96 0.37 -1.14 118.68 128.71 1wjm s LEU 87 Ca 0.15 -1.53 -0.08 0.00 -0.22 0.00 0.00 54.13 52.45 1wjm s LEU 87 Cb -0.12 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.12 1wjm s LEU 87 CO 0.04 -0.25 0.11 -0.83 -1.32 0.00 0.00 176.35 174.09 1wjm s GLY 88 N 1.14 1.82 1.02 7.98 0.00 -0.28 -0.15 107.32 118.84 1wjm s GLY 88 Ca -0.03 -1.45 -0.16 0.00 0.00 0.00 0.00 44.72 43.08 1wjm s GLY 88 CO -0.07 0.67 1.22 1.08 0.00 0.00 0.00 173.10 176.01 1wjm s LEU 89 N 1.53 2.01 0.25 0.66 1.43 0.30 -0.93 118.68 123.93 1wjm s LEU 89 Ca 0.03 0.51 0.25 0.00 -1.03 0.00 0.00 54.13 53.89 1wjm s LEU 89 Cb -0.17 -2.53 0.64 0.00 0.03 0.00 0.00 46.19 44.16 1wjm s LEU 89 CO 0.04 -3.06 1.68 0.06 0.23 0.00 0.00 176.35 175.29 1wjm h GLN 90 N -1.86 0.00 -0.33 1.70 3.07 -1.79 -3.00 115.11 112.90 1wjm h GLN 90 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1wjm h GLN 90 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1wjm h GLN 90 CO 0.42 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 179.09 1wjm n ASP 91 N -2.44 1.53 -0.57 0.06 8.00 -1.26 -4.84 116.55 117.03 1wjm n ASP 91 Ca 0.05 -2.04 -0.06 0.00 0.71 0.00 0.00 54.79 53.46 1wjm n ASP 91 Cb 0.46 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wjm n GLY 92 N 0.83 0.34 3.52 0.44 0.00 -1.13 -3.97 105.19 105.22 1wjm n GLY 92 Ca 0.09 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.73 3.40 -0.13 1.61 2.20 -1.25 -2.16 119.74 119.68 1wjm s LYS 93 Ca 0.00 -0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 54.94 1wjm s LYS 93 Cb 0.00 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1wjm s LYS 93 CO 0.00 -0.55 -0.00 -2.00 -0.36 0.00 0.00 175.35 172.44 1wjm s GLU 94 N 1.85 3.40 0.08 4.03 2.12 -1.05 0.11 118.70 129.24 1wjm s GLU 94 Ca 0.08 -0.44 0.04 0.00 0.36 0.00 0.00 54.97 55.01 1wjm s GLU 94 Cb -0.17 -2.91 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1wjm s GLU 94 CO 0.11 0.47 -0.10 0.71 -0.54 0.00 0.00 175.26 175.91 1wjm s TYR 95 N -0.23 0.99 -0.15 5.30 2.02 0.78 -1.17 117.35 124.90 1wjm s TYR 95 Ca 0.05 -0.59 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 1wjm s TYR 95 Cb -0.12 -0.56 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1wjm s TYR 95 CO 0.02 -0.02 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.27 1wjm s LEU 96 N -2.12 2.08 -0.10 -1.29 1.43 -0.84 -0.48 118.68 117.37 1wjm s LEU 96 Ca 0.00 -0.61 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1wjm s LEU 96 Cb -0.06 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1wjm s LEU 96 CO 0.00 0.05 -0.21 -0.36 0.23 0.00 0.00 176.35 176.07 1wjm s PHE 97 N 0.99 2.33 -0.37 0.29 0.08 -1.02 -1.02 117.98 119.26 1wjm s PHE 97 Ca -0.03 -1.01 -0.12 0.00 0.12 0.00 0.00 56.93 55.88 1wjm s PHE 97 Cb -0.15 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 1wjm s PHE 97 CO -0.06 -0.44 0.23 -1.14 -0.10 0.00 0.00 175.22 173.71 1wjm s GLN 98 N 0.57 3.03 1.06 0.44 0.74 -1.15 -2.30 119.66 122.05 1wjm s GLN 98 Ca -0.14 -0.96 -0.17 0.00 0.05 0.00 0.00 55.36 54.14 1wjm s GLN 98 Cb -0.17 -3.80 0.23 0.00 1.10 0.00 0.00 33.01 30.38 1wjm s GLN 98 CO 0.05 -0.64 1.22 0.00 -0.55 0.00 0.00 175.29 175.36 1wjm s ALA 99 N 1.62 1.53 -0.12 1.58 0.00 -0.31 -3.47 121.76 122.58 1wjm s ALA 99 Ca 0.04 -1.04 0.14 0.00 0.00 0.00 0.00 51.96 51.11 1wjm s ALA 99 Cb -0.19 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 1wjm s ALA 99 CO 0.08 -2.90 1.30 1.57 0.00 0.00 0.00 175.76 175.81 1wjm h LYS 100 N -2.02 0.00 0.00 0.00 2.10 -1.84 -3.47 116.57 111.35 1wjm h LYS 100 Ca -0.45 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.32 1wjm h LYS 100 Cb 1.27 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1wjm h LYS 100 CO 0.39 0.51 0.40 -0.25 -2.00 0.00 0.00 179.45 178.50 1wjm n ASP 101 N -3.17 -1.01 -0.16 7.07 8.00 -1.26 -5.00 116.55 121.02 1wjm n ASP 101 Ca -0.01 -1.49 -0.03 0.00 0.71 0.00 0.00 54.79 53.98 1wjm n ASP 101 Cb 0.78 1.64 0.06 0.00 -0.02 0.00 0.00 41.12 43.57 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 0.33 0.00 -1.24 5.08 -1.93 -0.26 114.58 116.56 1wjm h GLU 102 Ca -0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1wjm h GLU 102 Cb 0.74 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1wjm h GLU 102 CO 0.22 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 1wjm n ALA 103 N -2.42 -0.31 -0.32 3.43 0.00 -1.26 0.12 120.51 119.74 1wjm n ALA 103 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.65 1wjm n ALA 103 Cb 0.20 0.11 0.31 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.97 -0.07 0.08 0.00 4.07 -1.17 0.71 120.64 122.29 1wjm n GLU 104 Ca 0.00 1.39 -0.03 0.00 -0.06 0.00 0.00 57.16 58.46 1wjm n GLU 104 Cb 0.00 -2.24 -0.01 0.00 -0.06 0.00 0.00 31.44 29.12 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 -0.19 -0.91 5.31 4.05 -0.62 -1.18 114.93 121.38 1wjm h MET 105 Ca 0.59 0.01 0.25 0.00 -0.28 0.00 0.00 59.70 60.27 1wjm h MET 105 Cb 1.27 0.04 -0.16 0.00 -0.80 0.00 0.00 31.60 31.96 1wjm h MET 105 CO -0.86 -0.13 0.12 0.77 0.23 0.00 0.00 176.91 177.04 1wjm h SER 106 N -0.24 -0.25 0.16 1.39 0.02 0.24 0.31 113.55 115.18 1wjm h SER 106 Ca -0.02 0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1wjm h SER 106 Cb 0.15 0.37 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1wjm h SER 106 CO 0.03 -0.26 -0.29 0.28 -1.14 0.00 0.00 176.83 175.45 1wjm h SER 107 N 0.09 -0.82 -0.27 3.07 0.02 0.30 0.28 113.55 116.23 1wjm h SER 107 Ca 0.56 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.63 1wjm h SER 107 Cb 1.15 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 63.95 1wjm h SER 107 CO -0.78 -0.39 -0.28 -0.50 -1.14 0.00 0.00 176.83 173.74 1wjm h TRP 108 N -0.53 -0.88 -0.83 3.45 4.06 0.89 0.85 115.95 122.96 1wjm h TRP 108 Ca 0.02 0.05 0.15 0.00 2.06 0.00 0.00 58.89 61.17 1wjm h TRP 108 Cb 0.54 0.42 -0.15 0.00 -1.00 0.00 0.00 29.16 28.97 1wjm h TRP 108 CO -0.25 -0.23 -0.28 -0.07 -3.56 0.00 0.00 178.44 174.05 1wjm h LEU 109 N -0.16 -1.00 -1.34 -4.49 -0.00 -1.08 2.35 115.31 109.59 1wjm h LEU 109 Ca 0.05 0.26 0.10 0.00 -0.00 0.00 0.00 57.88 58.28 1wjm h LEU 109 Cb 0.28 0.59 -0.06 0.00 -0.00 0.00 0.00 40.66 41.47 1wjm h LEU 109 CO -0.34 -0.29 0.52 -0.09 -0.00 0.00 0.00 178.44 178.25 1wjm h ARG 110 N -0.04 0.71 0.12 1.13 2.43 0.15 0.54 114.38 119.42 1wjm h ARG 110 Ca 0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1wjm h ARG 110 Cb 0.60 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1wjm h ARG 110 CO -0.86 0.47 -0.06 0.28 -1.51 0.00 0.00 179.97 178.30 1wjm h VAL 111 N 0.73 0.04 -1.06 0.20 2.07 0.89 -1.77 116.25 117.36 1wjm h VAL 111 Ca 0.37 -0.91 0.31 0.00 0.82 0.00 0.00 66.70 67.28 1wjm h VAL 111 Cb 0.46 0.07 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 1wjm h VAL 111 CO -0.14 0.01 0.64 0.58 0.02 0.00 0.00 177.57 178.68 1wjm h VAL 112 N -1.04 0.39 -0.19 2.57 2.07 0.34 1.62 116.25 122.01 1wjm h VAL 112 Ca -0.02 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 1wjm h VAL 112 Cb 0.14 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1wjm h VAL 112 CO 0.03 0.07 -0.55 0.78 0.02 0.00 0.00 177.57 177.91 1wjm h ASN 113 N 0.37 0.64 0.78 0.57 2.35 0.02 0.14 115.58 120.45 1wjm h ASN 113 Ca 0.69 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 1wjm h ASN 113 Cb 1.65 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1wjm h ASN 113 CO -0.47 1.06 0.00 0.00 -1.65 0.00 0.00 177.43 176.37 1wjm h ALA 114 N 0.95 1.00 0.03 -0.83 0.00 0.31 -2.09 119.26 118.63 1wjm h ALA 114 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 1wjm h ALA 114 Cb 1.10 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wjm h ALA 114 CO 0.11 0.00 -1.81 0.00 0.00 0.00 0.00 179.25 177.55 1wjm n ALA 115 N -1.84 0.95 0.17 0.00 0.00 0.89 -3.59 120.51 117.09 1wjm n ALA 115 Ca 0.02 -0.70 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 1wjm n ALA 115 Cb 0.24 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.70 0.00 -0.20 0.00 2.04 -0.58 0.39 117.51 118.46 1wjm h ILE 116 Ca -0.47 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1wjm h ILE 116 Cb 1.57 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1wjm h ILE 116 CO -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.59 1wjm h ALA 117 N -0.82 -0.67 -0.42 1.87 0.00 -1.60 -2.30 119.26 115.31 1wjm h ALA 117 Ca -0.03 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1wjm h ALA 117 Cb 0.72 0.94 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 1wjm h ALA 117 CO -0.16 -0.83 -0.37 1.03 0.00 0.00 0.00 179.25 178.91 1wjm h SER 118 N -0.32 -1.30 -4.92 0.00 0.87 -1.56 -3.47 113.55 102.85 1wjm h SER 118 Ca 0.04 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1wjm h SER 118 Cb 0.42 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1wjm h SER 118 CO -0.35 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 176.34 1wjm n GLY 119 N -1.21 1.82 3.57 5.77 0.00 0.13 -4.83 105.19 110.44 1wjm n GLY 119 Ca -0.01 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.60 3.15 0.10 1.61 0.04 -1.26 -4.70 135.00 130.34 1wjm s PRO 120 Ca 0.00 -1.07 0.09 0.00 0.04 0.00 0.00 61.00 60.06 1wjm s PRO 120 Cb 0.00 -5.29 -0.04 0.00 0.04 0.00 0.00 34.50 29.22 1wjm s PRO 120 CO 0.00 -2.92 -0.22 -1.12 0.04 0.00 0.00 177.00 172.79 1wjm s SER 121 N 6.02 3.61 -0.73 6.66 0.01 -1.26 -5.08 113.70 122.92 1wjm s SER 121 Ca 0.59 -0.60 -0.16 0.00 1.31 0.00 0.00 55.95 57.09 1wjm s SER 121 Cb -0.01 -0.42 0.16 0.00 0.21 0.00 0.00 66.02 65.96 1wjm s SER 121 CO 0.01 0.20 0.75 -0.94 0.41 0.00 0.00 173.24 173.67 1wjm s SER 122 N -1.88 6.50 0.00 2.44 1.04 -1.26 -5.01 113.70 115.53 1wjm s SER 122 Ca 0.15 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 54.43 1wjm s SER 122 Cb -0.10 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1wjm s SER 122 CO 0.07 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.09