#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 -6.54 0.18 1.61 7.64 -1.26 -4.91 113.62 110.34 1wjm n SER 2 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1wjm n SER 2 Cb 0.00 -3.24 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 1wjm n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wjm n SER 3 N -0.25 -2.91 0.00 6.43 2.88 -1.26 -5.15 113.62 113.36 1wjm n SER 3 Ca -0.00 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1wjm n SER 3 Cb 0.59 2.80 0.00 0.00 -0.75 0.00 0.00 64.21 66.85 1wjm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wjm n GLY 4 N -0.91 2.69 2.82 0.46 0.00 -1.26 -5.13 105.19 103.86 1wjm n GLY 4 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1wjm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wjm s SER 5 N 0.00 -0.54 -0.30 1.61 0.15 -1.26 -5.01 113.70 108.35 1wjm s SER 5 Ca 0.00 -1.68 -0.18 0.00 0.70 0.00 0.00 55.95 54.80 1wjm s SER 5 Cb 0.00 1.31 0.20 0.00 -1.71 0.00 0.00 66.02 65.82 1wjm s SER 5 CO 0.00 -0.14 1.25 -0.55 1.20 0.00 0.00 173.24 175.00 1wjm s SER 6 N 1.09 -0.11 -0.73 5.45 0.15 -1.25 -4.75 113.70 113.54 1wjm s SER 6 Ca 0.24 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 1wjm s SER 6 Cb -0.03 1.09 -0.04 0.00 -1.71 0.00 0.00 66.02 65.33 1wjm s SER 6 CO -0.07 -0.02 0.64 0.61 1.20 0.00 0.00 173.24 175.59 1wjm n GLY 7 N 3.88 -0.43 2.97 9.45 0.00 -1.21 -5.04 105.19 114.81 1wjm n GLY 7 Ca -0.12 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1wjm n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 8 N -4.13 1.95 -0.01 1.61 0.41 -1.26 -5.06 118.70 112.20 1wjm s GLU 8 Ca 0.25 -0.42 -0.01 0.00 -0.41 0.00 0.00 54.97 54.39 1wjm s GLU 8 Cb -0.03 -1.86 -0.04 0.00 -1.78 0.00 0.00 34.13 30.41 1wjm s GLU 8 CO 0.50 -0.24 0.07 1.14 -0.49 0.00 0.00 175.26 176.24 1wjm s GLN 9 N 1.57 3.06 -0.05 1.61 0.00 -1.26 -4.43 119.66 120.15 1wjm s GLN 9 Ca 0.05 -0.47 -0.03 0.00 -0.00 0.00 0.00 55.36 54.90 1wjm s GLN 9 Cb -0.13 -2.85 0.03 0.00 0.00 0.00 0.00 33.01 30.05 1wjm s GLN 9 CO -0.09 0.66 0.13 1.41 0.00 0.00 0.00 175.29 177.39 1wjm s MET 10 N -1.63 0.11 -0.09 9.60 1.75 -0.94 -4.97 119.30 123.14 1wjm s MET 10 Ca 0.22 0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.89 1wjm s MET 10 Cb -0.12 -0.07 0.05 0.00 2.84 0.00 0.00 34.83 37.53 1wjm s MET 10 CO 0.12 -0.10 0.19 -1.83 -0.65 0.00 0.00 175.02 172.75 1wjm s GLU 11 N 0.67 0.10 -0.03 4.11 1.03 -1.26 0.15 118.70 123.47 1wjm s GLU 11 Ca -0.05 0.54 -0.30 0.00 0.03 0.00 0.00 54.97 55.19 1wjm s GLU 11 Cb -0.07 -0.18 0.11 0.00 -0.80 0.00 0.00 34.13 33.19 1wjm s GLU 11 CO -0.03 -0.24 0.97 0.20 -1.33 0.00 0.00 175.26 174.83 1wjm s GLY 12 N 1.84 -0.41 0.13 -3.83 0.00 -0.54 -5.00 107.32 99.51 1wjm s GLY 12 Ca -0.03 1.03 -0.32 0.00 0.00 0.00 0.00 44.72 45.41 1wjm s GLY 12 CO -0.07 0.34 1.80 1.03 0.00 0.00 0.00 173.10 176.20 1wjm n MET 13 N -0.24 2.69 -3.85 2.90 2.81 -1.26 -2.05 117.12 118.11 1wjm n MET 13 Ca -0.07 0.98 -0.10 0.00 -1.81 0.00 0.00 57.70 56.70 1wjm n MET 13 Cb 0.61 -2.85 -0.08 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 2.37 1.40 -0.70 4.03 1.02 -1.13 -4.57 118.68 121.11 1wjm s LEU 14 Ca 0.81 -0.38 -0.17 0.00 0.02 0.00 0.00 54.13 54.41 1wjm s LEU 14 Cb -0.52 0.93 0.15 0.00 0.02 0.00 0.00 46.19 46.77 1wjm s LEU 14 CO 0.37 -0.56 0.73 0.00 0.02 0.00 0.00 176.35 176.92 1wjm s ARG 16 N 1.67 4.24 -0.41 0.00 3.52 -1.03 -3.07 118.95 123.87 1wjm s ARG 16 Ca 0.14 0.73 0.03 0.00 -0.13 0.00 0.00 55.73 56.50 1wjm s ARG 16 Cb -0.19 -3.57 0.12 0.00 -1.56 0.00 0.00 34.95 29.75 1wjm s ARG 16 CO -0.01 -0.26 0.16 0.21 -0.81 0.00 0.00 175.30 174.59 1wjm s LYS 17 N 1.95 1.42 0.08 5.12 2.20 -0.65 -3.45 119.74 126.41 1wjm s LYS 17 Ca 0.32 -1.95 -0.31 0.00 -0.36 0.00 0.00 55.97 53.67 1wjm s LYS 17 Cb -0.16 -2.80 -0.10 0.00 -1.51 0.00 0.00 37.83 33.26 1wjm s LYS 17 CO 0.11 -1.05 1.91 -1.14 -0.36 0.00 0.00 175.35 174.83 1wjm s GLN 18 N 0.59 4.14 -0.18 4.03 2.00 -1.26 -3.11 119.66 125.86 1wjm s GLN 18 Ca 0.14 2.62 -0.08 0.00 -2.00 0.00 0.00 55.36 56.04 1wjm s GLN 18 Cb -0.22 -3.89 -0.08 0.00 0.80 0.00 0.00 33.01 29.62 1wjm s GLN 18 CO -0.07 -0.91 -0.22 0.39 -0.50 0.00 0.00 175.29 173.98 1wjm n GLU 19 N 6.65 0.39 -4.53 1.67 -0.58 -1.05 -4.21 120.64 118.98 1wjm n GLU 19 Ca 0.19 0.16 -0.21 0.00 -0.42 0.00 0.00 57.16 56.88 1wjm n GLU 19 Cb 0.40 -1.16 -0.15 0.00 -0.57 0.00 0.00 31.44 29.95 1wjm n GLU 19 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1wjm s MET 20 N -2.33 0.99 0.00 3.49 -1.94 -1.14 -1.31 119.30 117.06 1wjm s MET 20 Ca -0.25 -0.47 0.13 0.00 -1.71 0.00 0.00 55.69 53.39 1wjm s MET 20 Cb 0.09 -0.96 -0.13 0.00 2.01 0.00 0.00 34.83 35.84 1wjm s MET 20 CO 0.33 0.26 0.57 -1.91 -0.01 0.00 0.00 175.02 174.25 1wjm n GLU 21 N 2.68 2.65 0.00 2.03 2.13 -1.10 -2.45 120.64 126.58 1wjm n GLU 21 Ca -0.14 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1wjm n GLU 21 Cb 0.56 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 31.15 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 -1.21 0.00 -1.50 4.31 0.00 0.42 -4.64 120.51 117.89 1wjm n ALA 22 Ca 0.03 0.00 -0.63 0.00 0.00 0.00 0.00 53.44 52.83 1wjm n ALA 22 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.40 1.46 0.00 0.00 3.72 -1.15 0.13 117.46 121.22 1wjm n PHE 23 Ca 0.00 0.96 0.00 0.00 -0.05 0.00 0.00 57.45 58.36 1wjm n PHE 23 Cb 0.00 -2.22 0.00 0.00 -0.94 0.00 0.00 39.48 36.32 1wjm n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wjm n GLY 24 N 5.49 1.66 3.66 1.37 0.00 -1.26 -4.95 105.19 111.16 1wjm n GLY 24 Ca 0.41 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 4.14 0.01 1.61 2.36 0.34 -4.95 119.74 123.24 1wjm s LYS 25 Ca 0.00 2.62 -0.16 0.00 -2.55 0.00 0.00 55.97 55.89 1wjm s LYS 25 Cb 0.00 -4.17 -0.06 0.00 -1.05 0.00 0.00 37.83 32.55 1wjm s LYS 25 CO 0.00 -0.96 0.44 -1.59 1.55 0.00 0.00 175.35 174.79 1wjm s LYS 26 N 4.47 3.99 -0.15 4.03 0.00 -1.26 -2.72 119.74 128.11 1wjm s LYS 26 Ca 0.89 0.47 -0.29 0.00 0.00 0.00 0.00 55.97 57.04 1wjm s LYS 26 Cb -0.43 -3.23 -0.05 0.00 0.00 0.00 0.00 37.83 34.12 1wjm s LYS 26 CO 0.42 0.66 1.88 0.00 0.00 0.00 0.00 175.35 178.31 1wjm s ALA 27 N -1.00 3.21 0.04 0.59 0.00 -0.43 -4.70 121.76 119.47 1wjm s ALA 27 Ca 0.25 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 1wjm s ALA 27 Cb -0.17 -3.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.02 1wjm s ALA 27 CO 0.14 -2.07 1.13 0.00 0.00 0.00 0.00 175.76 174.96 1wjm h ALA 28 N 11.88 -0.16 -2.10 0.00 0.00 -1.90 -3.28 119.26 123.70 1wjm h ALA 28 Ca -0.40 0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.87 1wjm h ALA 28 Cb 1.20 1.06 -0.16 0.00 0.00 0.00 0.00 17.79 19.89 1wjm h ALA 28 CO 0.97 -0.26 0.14 1.21 0.00 0.00 0.00 179.25 181.31 1wjm s ASN 29 N -3.58 6.28 -0.77 0.00 3.84 -1.26 -4.94 114.94 114.52 1wjm s ASN 29 Ca -0.03 -0.59 0.01 0.00 0.21 0.00 0.00 52.86 52.46 1wjm s ASN 29 Cb 0.03 -2.32 0.35 0.00 -0.55 0.00 0.00 41.25 38.76 1wjm s ASN 29 CO 0.15 -0.88 1.58 -1.14 -2.79 0.00 0.00 177.10 174.02 1wjm n ARG 30 N 6.36 3.77 -4.52 0.43 0.63 -1.24 -4.46 116.66 117.64 1wjm n ARG 30 Ca -0.03 -4.31 -0.25 0.00 -0.92 0.00 0.00 57.85 52.33 1wjm n ARG 30 Cb 0.47 -2.32 -0.10 0.00 0.45 0.00 0.00 32.46 30.95 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wjm s SER 31 N -2.11 3.61 0.00 6.15 1.04 -1.26 -4.99 113.70 116.14 1wjm s SER 31 Ca 0.47 -1.17 -0.24 0.00 0.48 0.00 0.00 55.95 55.49 1wjm s SER 31 Cb 0.33 -0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 1wjm s SER 31 CO -0.24 -0.17 0.73 0.26 0.98 0.00 0.00 173.24 174.80 1wjm s TRP 32 N -2.63 3.68 -0.11 5.02 0.52 -1.26 -4.44 118.94 119.71 1wjm s TRP 32 Ca 0.32 1.38 -0.07 0.00 0.02 0.00 0.00 56.10 57.74 1wjm s TRP 32 Cb 0.01 -2.80 0.04 0.00 -1.15 0.00 0.00 33.47 29.57 1wjm s TRP 32 CO 0.16 0.21 0.27 -0.65 0.02 0.00 0.00 176.95 176.96 1wjm s GLN 33 N 0.24 0.27 -0.47 4.98 -1.52 -1.22 -5.05 119.66 116.88 1wjm s GLN 33 Ca 0.38 0.48 -0.27 0.00 -1.95 0.00 0.00 55.36 54.00 1wjm s GLN 33 Cb -0.19 0.01 -0.03 0.00 -0.22 0.00 0.00 33.01 32.58 1wjm s GLN 33 CO 0.21 -0.11 1.98 -0.80 -0.25 0.00 0.00 175.29 176.33 1wjm s ASN 34 N 0.77 5.30 -0.11 5.90 -0.87 -1.26 -2.48 114.94 122.19 1wjm s ASN 34 Ca -0.05 0.91 0.01 0.00 -1.57 0.00 0.00 52.86 52.16 1wjm s ASN 34 Cb -0.06 -2.52 0.02 0.00 -0.02 0.00 0.00 41.25 38.66 1wjm s ASN 34 CO -0.05 -2.25 -0.13 -0.69 -2.57 0.00 0.00 177.10 171.41 1wjm s VAL 35 N 9.02 1.40 -0.24 1.60 1.01 0.13 -4.85 120.40 128.46 1wjm s VAL 35 Ca 0.80 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1wjm s VAL 35 Cb -0.18 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1wjm s VAL 35 CO 0.27 0.42 1.53 -0.47 0.00 0.00 0.00 175.10 176.85 1wjm s TYR 36 N 1.17 2.26 0.02 5.22 5.04 0.47 -2.83 117.35 128.69 1wjm s TYR 36 Ca -0.03 0.63 -0.30 0.00 -2.44 0.00 0.00 57.07 54.93 1wjm s TYR 36 Cb -0.14 -3.97 -0.04 0.00 0.35 0.00 0.00 41.96 38.17 1wjm s TYR 36 CO -0.04 -2.61 0.96 0.00 -1.34 0.00 0.00 175.55 172.53 1wjm s VAL 38 N 0.82 1.27 -0.04 0.00 1.01 0.23 -1.47 120.40 122.22 1wjm s VAL 38 Ca 0.50 -1.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1wjm s VAL 38 Cb -0.21 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1wjm s VAL 38 CO 0.28 -0.41 0.15 -0.22 0.00 0.00 0.00 175.10 174.90 1wjm s LEU 39 N 1.46 4.26 0.00 3.92 0.20 0.39 0.19 118.68 129.10 1wjm s LEU 39 Ca 0.03 0.33 0.00 0.00 0.69 0.00 0.00 54.13 55.19 1wjm s LEU 39 Cb -0.18 -2.37 0.00 0.00 -0.43 0.00 0.00 46.19 43.21 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 1.31 0.64 -0.87 1.98 3.00 -0.86 -2.21 116.66 119.66 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 -0.07 0.00 0.00 0.00 0.00 32.46 32.92 1wjm n ARG 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1wjm n ARG 41 N 0.00 0.98 -1.91 -0.14 0.00 -1.26 -3.48 116.66 110.85 1wjm n ARG 41 Ca 0.00 -1.49 -0.02 0.00 -0.00 0.00 0.00 57.85 56.34 1wjm n ARG 41 Cb 0.00 -2.72 0.01 0.00 0.00 0.00 0.00 32.46 29.75 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 4.62 0.52 3.73 5.14 0.00 -1.26 -4.56 105.19 113.38 1wjm n GLY 42 Ca 0.47 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1wjm n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wjm s SER 43 N -3.10 -0.35 -0.30 1.61 1.04 -1.23 -4.19 113.70 107.19 1wjm s SER 43 Ca 0.04 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.06 1wjm s SER 43 Cb -0.01 0.69 0.15 0.00 0.10 0.00 0.00 66.02 66.95 1wjm s SER 43 CO 0.10 -1.23 0.37 -0.22 0.98 0.00 0.00 173.24 173.24 1wjm s LEU 44 N -2.87 -0.54 0.12 2.42 2.96 -0.73 -2.02 118.68 118.01 1wjm s LEU 44 Ca 0.08 -0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 53.38 1wjm s LEU 44 Cb -0.04 0.85 -0.04 0.00 0.50 0.00 0.00 46.19 47.46 1wjm s LEU 44 CO 0.01 -0.36 0.30 -0.83 -1.32 0.00 0.00 176.35 174.15 1wjm s GLY 45 N 2.40 2.04 -0.04 7.98 0.00 0.51 -0.03 107.32 120.18 1wjm s GLY 45 Ca 0.10 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1wjm s GLY 45 CO -0.30 -0.77 -0.05 -1.36 0.00 0.00 0.00 173.10 170.62 1wjm s PHE 46 N -1.66 2.96 0.08 1.90 0.08 -1.26 0.78 117.98 120.86 1wjm s PHE 46 Ca 0.37 0.03 -0.12 0.00 0.12 0.00 0.00 56.93 57.33 1wjm s PHE 46 Cb -0.12 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1wjm s PHE 46 CO 0.28 0.37 0.27 0.71 -0.10 0.00 0.00 175.22 176.75 1wjm s TYR 47 N -0.90 -0.02 0.03 0.36 1.51 -0.15 -3.59 117.35 114.59 1wjm s TYR 47 Ca 0.15 -0.27 -0.10 0.00 -1.01 0.00 0.00 57.07 55.83 1wjm s TYR 47 Cb -0.11 0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.76 1wjm s TYR 47 CO 0.04 -0.55 1.16 -0.22 -1.11 0.00 0.00 175.55 174.87 1wjm h LYS 48 N 2.88 -0.20 0.00 -0.62 1.63 -1.86 1.38 116.57 119.78 1wjm h LYS 48 Ca -0.33 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.35 1wjm h LYS 48 Cb 1.21 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.86 1wjm h LYS 48 CO 0.50 -0.13 -0.03 -0.25 -3.45 0.00 0.00 179.45 176.09 1wjm n ASP 49 N -3.37 -0.94 0.13 4.20 9.92 -1.26 -3.35 116.55 121.88 1wjm n ASP 49 Ca -0.02 -2.09 0.09 0.00 -0.53 0.00 0.00 54.79 52.25 1wjm n ASP 49 Cb 0.12 1.69 0.47 0.00 -0.64 0.00 0.00 41.12 42.76 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wjm n ALA 50 N -1.61 1.16 0.10 2.24 0.00 -1.26 -0.58 120.51 120.55 1wjm n ALA 50 Ca -0.09 0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1wjm n ALA 50 Cb 0.35 -1.28 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1wjm n ALA 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wjm h LYS 51 N 0.00 0.35 0.18 0.00 6.56 -1.99 -2.54 116.57 119.14 1wjm h LYS 51 Ca 0.00 -0.51 -0.28 0.00 -1.06 0.00 0.00 60.65 58.80 1wjm h LYS 51 Cb 0.07 0.18 0.02 0.00 -0.57 0.00 0.00 32.23 31.93 1wjm h LYS 51 CO 0.00 1.21 -1.29 0.00 -2.06 0.00 0.00 179.45 177.31 1wjm h ALA 52 N 0.59 -0.04 -0.80 3.86 0.00 -1.13 -2.80 119.26 118.94 1wjm h ALA 52 Ca -0.13 -0.88 0.08 0.00 0.00 0.00 0.00 54.91 53.97 1wjm h ALA 52 Cb 1.86 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.84 1wjm h ALA 52 CO 0.20 0.65 0.52 0.00 0.00 0.00 0.00 179.25 180.62 1wjm h ALA 53 N 0.09 1.67 -0.22 0.00 0.00 -1.04 0.68 119.26 120.45 1wjm h ALA 53 Ca -0.24 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1wjm h ALA 53 Cb 1.91 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1wjm h ALA 53 CO 0.18 0.19 -0.57 1.03 0.00 0.00 0.00 179.25 180.08 1wjm h SER 54 N 0.82 0.77 -0.31 0.00 0.87 -1.52 -2.53 113.55 111.64 1wjm h SER 54 Ca 0.35 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wjm h SER 54 Cb 0.32 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1wjm h SER 54 CO -0.13 1.17 0.00 0.00 -0.53 0.00 0.00 176.83 177.34 1wjm n ALA 55 N -2.54 2.62 -4.19 6.23 0.00 -0.14 -4.89 120.51 117.61 1wjm n ALA 55 Ca -0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 53.44 52.40 1wjm n ALA 55 Cb 0.62 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 0.84 -0.45 3.49 0.00 0.00 0.17 -4.92 105.19 104.33 1wjm n GLY 56 Ca 0.11 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1wjm n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wjm s VAL 57 N -3.30 4.58 0.16 1.61 1.01 0.19 -4.99 120.40 119.65 1wjm s VAL 57 Ca 0.72 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1wjm s VAL 57 Cb -0.39 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1wjm s VAL 57 CO 0.92 0.33 1.13 -2.16 0.00 0.00 0.00 175.10 175.31 1wjm s PRO 58 N 1.56 4.55 0.04 2.72 0.04 -1.26 -4.30 135.00 138.35 1wjm s PRO 58 Ca 0.06 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1wjm s PRO 58 Cb -0.15 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1wjm s PRO 58 CO 0.05 -0.00 1.18 -0.92 0.04 0.00 0.00 177.00 177.35 1wjm h TYR 59 N 5.40 -0.54 -1.25 0.56 3.20 -1.86 -3.16 116.97 119.32 1wjm h TYR 59 Ca -0.44 0.02 -0.58 0.00 3.14 0.00 0.00 58.73 60.87 1wjm h TYR 59 Cb 1.21 0.24 -0.42 0.00 1.54 0.00 0.00 36.73 39.31 1wjm h TYR 59 CO 0.63 -0.18 -0.70 0.72 -1.64 0.00 0.00 178.16 177.00 1wjm n HIS 60 N -3.53 3.17 -2.52 -3.82 8.25 -1.26 -4.87 115.22 110.63 1wjm n HIS 60 Ca -0.02 -2.78 -0.10 0.00 -0.26 0.00 0.00 57.72 54.56 1wjm n HIS 60 Cb 0.12 -0.22 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 -0.50 3.92 -1.41 0.00 -1.20 -4.91 105.19 100.52 1wjm n GLY 61 Ca 0.41 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.10 3.19 0.39 1.61 2.02 -1.26 -5.06 118.70 114.50 1wjm s GLU 62 Ca 0.03 0.05 0.08 0.00 0.02 0.00 0.00 54.97 55.14 1wjm s GLU 62 Cb -0.02 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 1wjm s GLU 62 CO 0.04 -0.46 0.38 0.14 0.02 0.00 0.00 175.26 175.37 1wjm s VAL 63 N -2.86 2.97 0.47 2.63 -7.23 -1.26 -4.84 120.40 110.28 1wjm s VAL 63 Ca 0.51 -1.30 -0.21 0.00 -1.81 0.00 0.00 61.98 59.16 1wjm s VAL 63 Cb -0.10 -3.06 -0.09 0.00 0.56 0.00 0.00 36.38 33.69 1wjm s VAL 63 CO 0.45 -0.05 1.04 -2.16 -0.31 0.00 0.00 175.10 174.07 1wjm s PRO 64 N -4.12 3.86 -0.18 4.82 0.04 -1.26 -4.60 135.00 133.55 1wjm s PRO 64 Ca 0.47 1.39 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 1wjm s PRO 64 Cb -0.05 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1wjm s PRO 64 CO 0.28 -0.39 0.25 0.14 0.04 0.00 0.00 177.00 177.32 1wjm s VAL 65 N -1.93 5.33 -0.06 -0.36 -7.23 0.96 -4.83 120.40 112.28 1wjm s VAL 65 Ca 0.66 0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.98 1wjm s VAL 65 Cb -0.17 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.14 1wjm s VAL 65 CO 0.21 0.39 1.24 -0.44 -0.31 0.00 0.00 175.10 176.19 1wjm s SER 66 N 0.53 7.01 -0.18 4.85 0.01 -1.26 -1.78 113.70 122.88 1wjm s SER 66 Ca 0.14 1.84 -0.05 0.00 1.31 0.00 0.00 55.95 59.19 1wjm s SER 66 Cb -0.13 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.41 1wjm s SER 66 CO 0.03 -0.62 3.29 0.18 0.41 0.00 0.00 173.24 176.52 1wjm n LEU 67 N 5.38 5.72 -4.64 2.44 4.77 -1.26 -4.86 117.00 124.54 1wjm n LEU 67 Ca 0.12 -3.52 -0.42 0.00 -0.03 0.00 0.00 56.01 52.16 1wjm n LEU 67 Cb 0.46 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 1wjm n LEU 67 CO 0.56 1.71 0.72 0.00 -1.33 0.00 0.00 177.39 179.04 1wjm s ALA 68 N -0.06 3.61 -1.01 -1.18 0.00 -1.26 -3.41 121.76 118.45 1wjm s ALA 68 Ca 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1wjm s ALA 68 Cb 0.34 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1wjm s ALA 68 CO -0.09 -1.07 0.00 0.54 0.00 0.00 0.00 175.76 175.14 1wjm n ARG 69 N 6.20 -1.58 -1.82 0.00 3.00 -1.26 -4.21 116.66 117.00 1wjm n ARG 69 Ca 0.07 0.81 -0.29 0.00 -0.01 0.00 0.00 57.85 58.43 1wjm n ARG 69 Cb 0.47 -5.15 0.08 0.00 0.00 0.00 0.00 32.46 27.87 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wjm s ALA 70 N -1.89 2.58 -0.06 7.54 0.00 -1.22 -4.47 121.76 124.24 1wjm s ALA 70 Ca 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 1wjm s ALA 70 Cb 0.00 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.15 1wjm s ALA 70 CO 0.00 -1.59 0.36 -0.65 0.00 0.00 0.00 175.76 173.87 1wjm s GLN 71 N -5.44 0.62 -0.17 0.00 -1.52 0.12 -4.93 119.66 108.34 1wjm s GLN 71 Ca 0.61 0.07 -0.00 0.00 -1.95 0.00 0.00 55.36 54.09 1wjm s GLN 71 Cb -0.12 0.28 0.00 0.00 -0.22 0.00 0.00 33.01 32.96 1wjm s GLN 71 CO 0.51 -0.15 -0.15 0.20 -0.25 0.00 0.00 175.29 175.45 1wjm s GLY 72 N -0.81 1.48 0.04 3.09 0.00 -1.26 -1.51 107.32 108.34 1wjm s GLY 72 Ca -0.09 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1wjm s GLY 72 CO 0.03 0.14 -0.05 -0.45 0.00 0.00 0.00 173.10 172.78 1wjm s SER 73 N 1.02 0.61 0.32 1.64 0.15 -1.08 -4.99 113.70 111.36 1wjm s SER 73 Ca -0.01 -0.64 -0.28 0.00 0.70 0.00 0.00 55.95 55.71 1wjm s SER 73 Cb -0.15 0.09 -0.09 0.00 -1.71 0.00 0.00 66.02 64.16 1wjm s SER 73 CO -0.03 -0.32 1.10 -0.69 1.20 0.00 0.00 173.24 174.50 1wjm s VAL 74 N -2.00 3.47 -0.84 4.45 1.01 -1.26 0.83 120.40 126.05 1wjm s VAL 74 Ca -0.07 1.39 -0.03 0.00 0.00 0.00 0.00 61.98 63.27 1wjm s VAL 74 Cb -0.06 -3.85 0.26 0.00 0.00 0.00 0.00 36.38 32.73 1wjm s VAL 74 CO -0.02 0.26 2.19 0.00 0.00 0.00 0.00 175.10 177.53 1wjm n ALA 75 N 0.83 6.45 0.31 5.51 0.00 0.56 -4.60 120.51 129.57 1wjm n ALA 75 Ca 0.01 -3.98 0.14 0.00 0.00 0.00 0.00 53.44 49.60 1wjm n ALA 75 Cb 0.46 -2.15 0.73 0.00 0.00 0.00 0.00 19.45 18.49 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 3.41 0.00 -0.25 0.00 0.04 -1.93 0.52 116.94 118.74 1wjm h PHE 76 Ca 0.54 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 61.11 1wjm h PHE 76 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1wjm h PHE 76 CO 1.32 0.00 -0.61 0.22 -0.60 0.00 0.00 178.31 178.64 1wjm h ASP 77 N 0.00 0.95 -1.57 2.17 1.82 -1.93 -3.43 116.42 114.43 1wjm h ASP 77 Ca 0.00 -0.54 -0.67 0.00 -0.39 0.00 0.00 57.03 55.44 1wjm h ASP 77 Cb 0.71 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.45 1wjm h ASP 77 CO 0.00 1.33 1.19 0.00 -1.61 0.00 0.00 179.24 180.15 1wjm n TYR 78 N -3.98 1.98 -3.63 0.28 9.36 0.18 -4.89 117.16 116.47 1wjm n TYR 78 Ca -0.05 0.22 -0.34 0.00 3.32 0.00 0.00 57.90 61.05 1wjm n TYR 78 Cb 0.66 -2.57 -0.07 0.00 -0.63 0.00 0.00 39.34 36.73 1wjm n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1wjm n ARG 79 N 7.02 2.61 0.10 2.98 5.12 -1.26 -4.60 116.66 128.62 1wjm n ARG 79 Ca 0.31 -4.50 0.00 0.00 -1.93 0.00 0.00 57.85 51.72 1wjm n ARG 79 Cb 0.24 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 29.15 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1wjm n LYS 80 N 2.06 0.00 -3.13 5.56 4.76 -1.26 -5.15 118.16 121.00 1wjm n LYS 80 Ca 0.22 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.46 1wjm n LYS 80 Cb 0.37 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.61 1wjm n LYS 80 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wjm n ARG 81 N -2.95 0.64 -4.39 1.97 5.12 -1.26 -5.14 116.66 110.66 1wjm n ARG 81 Ca 0.00 -3.09 -0.28 0.00 -1.93 0.00 0.00 57.85 52.54 1wjm n ARG 81 Cb 0.00 -0.07 -0.13 0.00 -1.16 0.00 0.00 32.46 31.10 1wjm n ARG 81 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1wjm s LYS 82 N -4.44 1.42 -0.51 5.56 1.02 -1.26 -4.84 119.74 116.69 1wjm s LYS 82 Ca 0.51 -1.38 -0.27 0.00 0.02 0.00 0.00 55.97 54.85 1wjm s LYS 82 Cb -0.04 -1.87 0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1wjm s LYS 82 CO 0.32 0.44 0.65 0.72 -0.92 0.00 0.00 175.35 176.55 1wjm n HIS 83 N 0.77 -2.82 -4.03 3.18 8.25 -1.26 -4.56 115.22 114.75 1wjm n HIS 83 Ca -0.17 1.16 -0.19 0.00 -0.26 0.00 0.00 57.72 58.27 1wjm n HIS 83 Cb 0.54 -2.58 -0.16 0.00 1.12 0.00 0.00 29.99 28.90 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 -2.02 0.36 -0.03 1.59 1.01 -1.26 -1.47 120.40 118.59 1wjm s VAL 84 Ca 0.28 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.32 1wjm s VAL 84 Cb -0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1wjm s VAL 84 CO 0.85 0.19 -0.24 0.72 0.00 0.00 0.00 175.10 176.62 1wjm s PHE 85 N 1.04 2.17 -0.29 5.22 -0.12 -0.93 0.21 117.98 125.28 1wjm s PHE 85 Ca -0.09 -0.46 -0.23 0.00 -0.05 0.00 0.00 56.93 56.09 1wjm s PHE 85 Cb -0.14 -1.41 -0.00 0.00 -0.63 0.00 0.00 43.02 40.84 1wjm s PHE 85 CO -0.01 -0.07 0.78 0.21 -0.05 0.00 0.00 175.22 176.08 1wjm s LYS 86 N -0.46 4.03 -0.65 1.99 2.20 0.24 -2.74 119.74 124.35 1wjm s LYS 86 Ca 0.06 0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 56.16 1wjm s LYS 86 Cb -0.10 -3.70 0.11 0.00 -1.51 0.00 0.00 37.83 32.63 1wjm s LYS 86 CO 0.00 -0.62 0.76 -1.17 -0.36 0.00 0.00 175.35 173.97 1wjm s LEU 87 N 2.89 5.43 -0.36 5.43 2.96 0.66 -2.64 118.68 133.05 1wjm s LEU 87 Ca 0.32 -1.58 -0.17 0.00 -0.22 0.00 0.00 54.13 52.48 1wjm s LEU 87 Cb -0.14 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 1wjm s LEU 87 CO 0.11 -1.08 0.48 -0.83 -1.32 0.00 0.00 176.35 173.70 1wjm s GLY 88 N 3.52 1.84 0.00 7.98 0.00 -0.57 -0.91 107.32 119.18 1wjm s GLY 88 Ca 0.14 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1wjm s GLY 88 CO 0.04 1.21 0.00 1.04 0.00 0.00 0.00 173.10 175.38 1wjm n LEU 89 N 5.67 0.00 -0.80 0.66 4.77 0.37 0.12 117.00 127.80 1wjm n LEU 89 Ca -0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.93 1wjm n LEU 89 Cb 0.49 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1wjm n LEU 89 CO 0.44 0.00 0.39 0.00 -1.33 0.00 0.00 177.39 176.89 1wjm n GLN 90 N 0.00 1.72 0.00 3.23 10.64 -1.26 -3.68 117.38 128.02 1wjm n GLN 90 Ca 0.00 -0.60 0.00 0.00 -1.83 0.00 0.00 57.00 54.57 1wjm n GLN 90 Cb 0.00 -1.62 0.00 0.00 -0.86 0.00 0.00 30.24 27.76 1wjm n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1wjm n ASP 91 N 0.12 0.00 0.09 2.61 2.03 -1.26 -4.74 116.55 115.40 1wjm n ASP 91 Ca 0.06 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.49 1wjm n ASP 91 Cb 0.45 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.98 1wjm n ASP 91 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wjm h GLY 92 N 0.00 0.00 -6.35 0.27 0.00 -1.91 -3.44 103.07 91.65 1wjm h GLY 92 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1wjm h GLY 92 CO 0.00 0.00 -0.83 0.54 0.00 0.00 0.00 176.54 176.25 1wjm s LYS 93 N -3.23 2.24 0.03 4.80 1.02 -1.26 0.16 119.74 123.50 1wjm s LYS 93 Ca 0.04 -0.54 0.06 0.00 0.02 0.00 0.00 55.97 55.55 1wjm s LYS 93 Cb 0.11 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 1wjm s LYS 93 CO 0.74 -0.23 -0.17 -2.00 -0.92 0.00 0.00 175.35 172.76 1wjm s GLU 94 N 1.48 1.17 0.10 1.68 -6.30 -1.02 0.14 118.70 115.95 1wjm s GLU 94 Ca 0.05 -0.80 -0.02 0.00 -2.50 0.00 0.00 54.97 51.70 1wjm s GLU 94 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 34.13 32.75 1wjm s GLU 94 CO -0.10 0.31 0.04 0.71 0.02 0.00 0.00 175.26 176.24 1wjm s TYR 95 N -0.75 0.66 -0.18 5.30 2.02 -0.09 -2.52 117.35 121.79 1wjm s TYR 95 Ca 0.05 -1.10 -0.02 0.00 -0.37 0.00 0.00 57.07 55.63 1wjm s TYR 95 Cb -0.08 -0.39 0.05 0.00 -0.40 0.00 0.00 41.96 41.14 1wjm s TYR 95 CO 0.01 -0.48 0.00 -0.51 -1.57 0.00 0.00 175.55 173.01 1wjm s LEU 96 N -2.98 1.38 -0.09 -1.29 1.43 -1.18 -0.24 118.68 115.71 1wjm s LEU 96 Ca 0.16 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1wjm s LEU 96 Cb 0.07 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1wjm s LEU 96 CO -0.04 -0.26 -0.16 -0.36 0.23 0.00 0.00 176.35 175.76 1wjm s PHE 97 N 1.77 2.71 -0.41 0.29 0.08 -1.11 -1.63 117.98 119.68 1wjm s PHE 97 Ca -0.01 -0.48 -0.10 0.00 0.12 0.00 0.00 56.93 56.46 1wjm s PHE 97 Cb -0.16 -1.72 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1wjm s PHE 97 CO -0.07 -0.07 0.24 -1.14 -0.10 0.00 0.00 175.22 174.08 1wjm s GLN 98 N -0.14 2.67 0.76 0.44 0.74 -1.17 -2.20 119.66 120.76 1wjm s GLN 98 Ca -0.02 -1.35 -0.11 0.00 0.05 0.00 0.00 55.36 53.94 1wjm s GLN 98 Cb -0.14 -3.76 0.05 0.00 1.10 0.00 0.00 33.01 30.26 1wjm s GLN 98 CO 0.04 -0.88 1.09 0.00 -0.55 0.00 0.00 175.29 174.98 1wjm s ALA 99 N 1.46 2.30 0.15 1.58 0.00 -0.54 -3.67 121.76 123.04 1wjm s ALA 99 Ca 0.02 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.08 1wjm s ALA 99 Cb -0.22 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1wjm s ALA 99 CO 0.03 -1.70 1.78 1.57 0.00 0.00 0.00 175.76 177.45 1wjm h LYS 100 N -1.04 0.36 0.00 0.00 2.10 -1.87 -3.45 116.57 112.68 1wjm h LYS 100 Ca -0.44 -0.02 -0.07 0.00 -2.00 0.00 0.00 60.65 58.12 1wjm h LYS 100 Cb 1.23 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1wjm h LYS 100 CO 0.52 0.24 0.08 -0.25 -2.00 0.00 0.00 179.45 178.04 1wjm n ASP 101 N -4.92 -1.20 -0.16 7.07 9.92 -1.26 -5.00 116.55 120.99 1wjm n ASP 101 Ca 0.00 -2.02 0.25 0.00 -0.53 0.00 0.00 54.79 52.49 1wjm n ASP 101 Cb 0.07 2.05 0.67 0.00 -0.64 0.00 0.00 41.12 43.28 1wjm n ASP 101 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1wjm h GLU 102 N 0.00 0.08 0.00 -1.24 4.39 -1.95 0.81 114.58 116.67 1wjm h GLU 102 Ca -0.19 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1wjm h GLU 102 Cb 0.74 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1wjm h GLU 102 CO 0.25 0.05 0.00 0.00 -1.16 0.00 0.00 179.01 178.15 1wjm n ALA 103 N -2.66 -0.37 -0.30 3.43 0.00 -1.26 0.55 120.51 119.90 1wjm n ALA 103 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1wjm n ALA 103 Cb 0.85 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.60 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 0.31 0.03 0.00 4.81 -1.83 0.30 114.58 118.20 1wjm h GLU 104 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1wjm h GLU 104 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1wjm h GLU 104 CO 0.00 0.20 -0.02 1.98 -0.73 0.00 0.00 179.01 180.45 1wjm h MET 105 N 0.32 -0.04 -0.86 1.92 4.05 -0.83 0.44 114.93 119.93 1wjm h MET 105 Ca 0.56 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 60.16 1wjm h MET 105 Cb 1.09 0.01 -0.16 0.00 -0.80 0.00 0.00 31.60 31.74 1wjm h MET 105 CO -0.58 -0.03 -0.17 1.03 0.23 0.00 0.00 176.91 177.39 1wjm h SER 106 N -0.05 -0.73 0.46 1.39 0.87 0.56 0.19 113.55 116.25 1wjm h SER 106 Ca -0.00 0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1wjm h SER 106 Cb 0.03 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1wjm h SER 106 CO 0.01 -0.28 -0.30 0.28 -0.53 0.00 0.00 176.83 176.01 1wjm h SER 107 N 0.01 -0.76 -0.19 6.23 0.02 -0.40 0.75 113.55 119.21 1wjm h SER 107 Ca 0.43 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.44 1wjm h SER 107 Cb 0.68 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 1wjm h SER 107 CO -0.86 -0.47 -0.18 -0.50 -1.14 0.00 0.00 176.83 173.68 1wjm h TRP 108 N -0.73 -0.56 -0.79 3.45 4.06 0.27 1.77 115.95 123.41 1wjm h TRP 108 Ca -0.05 0.03 0.16 0.00 2.06 0.00 0.00 58.89 61.09 1wjm h TRP 108 Cb 0.61 0.27 -0.15 0.00 -1.00 0.00 0.00 29.16 28.89 1wjm h TRP 108 CO -0.11 -0.14 -0.22 -0.07 -3.56 0.00 0.00 178.44 174.34 1wjm h LEU 109 N -0.08 -0.81 -0.84 -4.49 -0.00 -0.85 2.19 115.31 110.42 1wjm h LEU 109 Ca 0.03 0.24 0.06 0.00 -0.00 0.00 0.00 57.88 58.21 1wjm h LEU 109 Cb 0.17 0.52 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 1wjm h LEU 109 CO -0.22 -0.27 0.52 -0.09 -0.00 0.00 0.00 178.44 178.37 1wjm h ARG 110 N -0.02 0.92 0.40 1.13 2.43 0.18 0.31 114.38 119.74 1wjm h ARG 110 Ca 0.37 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1wjm h ARG 110 Cb 0.58 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1wjm h ARG 110 CO -0.82 0.61 -0.19 0.28 -1.51 0.00 0.00 179.97 178.34 1wjm h VAL 111 N 0.95 0.00 -0.98 0.20 2.07 0.98 0.25 116.25 119.72 1wjm h VAL 111 Ca 0.36 -0.54 0.32 0.00 0.82 0.00 0.00 66.70 67.66 1wjm h VAL 111 Cb 0.15 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.77 1wjm h VAL 111 CO -0.17 0.00 0.48 0.58 0.02 0.00 0.00 177.57 178.48 1wjm h VAL 112 N -1.07 0.24 -0.28 2.57 2.07 0.33 1.94 116.25 122.04 1wjm h VAL 112 Ca -0.05 -0.08 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 1wjm h VAL 112 Cb 0.41 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1wjm h VAL 112 CO 0.09 0.04 -0.50 0.78 0.02 0.00 0.00 177.57 178.00 1wjm h ASN 113 N 0.23 0.84 0.94 0.57 2.35 -0.38 0.20 115.58 120.32 1wjm h ASN 113 Ca 0.72 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1wjm h ASN 113 Cb 1.65 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.78 1wjm h ASN 113 CO -0.66 1.19 -0.02 0.00 -1.65 0.00 0.00 177.43 176.29 1wjm h ALA 114 N 0.83 1.01 0.04 -0.83 0.00 0.47 -2.84 119.26 117.95 1wjm h ALA 114 Ca 0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1wjm h ALA 114 Cb 1.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1wjm h ALA 114 CO 0.11 0.03 -1.09 0.00 0.00 0.00 0.00 179.25 178.30 1wjm h ALA 115 N 1.98 0.19 -0.40 0.00 0.00 0.15 -3.21 119.26 117.96 1wjm h ALA 115 Ca -0.00 -1.04 0.04 0.00 0.00 0.00 0.00 54.91 53.92 1wjm h ALA 115 Cb 0.50 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1wjm h ALA 115 CO 0.00 0.63 -0.46 0.82 0.00 0.00 0.00 179.25 180.24 1wjm h ILE 116 N -0.73 0.00 -0.99 0.00 2.04 -0.48 1.01 117.51 118.36 1wjm h ILE 116 Ca -0.27 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.69 1wjm h ILE 116 Cb 1.42 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.38 1wjm h ILE 116 CO -0.07 0.00 -0.57 0.00 0.00 0.00 0.00 178.15 177.51 1wjm h ALA 117 N -0.20 -0.47 0.13 1.87 0.00 -1.69 -2.03 119.26 116.87 1wjm h ALA 117 Ca 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1wjm h ALA 117 Cb 0.47 1.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1wjm h ALA 117 CO -0.53 -0.93 -0.09 1.03 0.00 0.00 0.00 179.25 178.73 1wjm h SER 118 N -0.01 -0.23 0.00 0.00 0.87 -1.22 -3.43 113.55 109.54 1wjm h SER 118 Ca 0.18 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1wjm h SER 118 Cb 0.43 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1wjm h SER 118 CO -0.94 -0.13 0.00 0.61 -0.53 0.00 0.00 176.83 175.84 1wjm n GLY 119 N -1.11 1.49 3.78 5.77 0.00 0.33 -4.28 105.19 111.18 1wjm n GLY 119 Ca -0.03 0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 1wjm n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wjm s PRO 120 N 0.00 4.10 0.17 1.61 0.04 -1.26 -4.67 135.00 134.98 1wjm s PRO 120 Ca 0.00 1.50 0.08 0.00 0.04 0.00 0.00 61.00 62.62 1wjm s PRO 120 Cb 0.00 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1wjm s PRO 120 CO 0.00 -0.20 -0.16 -1.54 0.04 0.00 0.00 177.00 175.14 1wjm s SER 121 N -1.61 2.52 -0.19 6.66 1.04 -1.26 -4.93 113.70 115.93 1wjm s SER 121 Ca 0.59 -0.89 -0.07 0.00 0.48 0.00 0.00 55.95 56.06 1wjm s SER 121 Cb -0.21 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1wjm s SER 121 CO 0.27 -0.09 0.15 -1.20 0.98 0.00 0.00 173.24 173.34 1wjm n SER 122 N 0.16 -6.97 0.00 7.02 7.64 -1.26 -5.28 113.62 114.93 1wjm n SER 122 Ca -0.12 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1wjm n SER 122 Cb 0.58 -3.04 0.00 0.00 -1.01 0.00 0.00 64.21 60.74 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64