#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 -5.57 -3.03 1.61 2.88 -1.26 -4.74 113.62 103.52 1wjm n SER 2 Ca 0.00 1.42 -0.09 0.00 -1.33 0.00 0.00 58.87 58.87 1wjm n SER 2 Cb 0.00 -4.58 0.01 0.00 -0.75 0.00 0.00 64.21 58.89 1wjm n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wjm n SER 3 N 1.51 -7.14 0.00 -3.46 2.88 -1.26 -4.96 113.62 101.20 1wjm n SER 3 Ca -0.13 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1wjm n SER 3 Cb 0.20 -3.61 0.00 0.00 -0.75 0.00 0.00 64.21 60.06 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 0.49 3.76 3.51 0.46 0.00 -1.26 -5.16 105.19 106.99 1wjm n GLY 4 Ca 0.01 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.58 -0.03 1.61 0.15 -1.26 -4.82 113.70 108.76 1wjm s SER 5 Ca 0.00 0.49 -0.03 0.00 0.70 0.00 0.00 55.95 57.11 1wjm s SER 5 Cb 0.00 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1wjm s SER 5 CO 0.00 -0.64 -0.05 -1.54 1.20 0.00 0.00 173.24 172.21 1wjm n SER 6 N 0.56 0.42 -2.29 5.45 3.41 -1.26 -5.11 113.62 114.81 1wjm n SER 6 Ca -0.17 0.26 -0.03 0.00 -0.26 0.00 0.00 58.87 58.68 1wjm n SER 6 Cb 0.59 -0.58 0.02 0.00 -0.26 0.00 0.00 64.21 63.98 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wjm n GLY 7 N 1.65 1.07 3.16 5.00 0.00 -1.26 -5.10 105.19 109.71 1wjm n GLY 7 Ca -0.02 -1.10 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.04 2.82 0.07 1.61 0.41 -1.26 -5.07 118.70 115.24 1wjm s GLU 8 Ca 0.12 -0.79 0.09 0.00 -0.41 0.00 0.00 54.97 53.98 1wjm s GLU 8 Cb -0.02 -2.23 -0.03 0.00 -1.78 0.00 0.00 34.13 30.07 1wjm s GLU 8 CO 0.05 0.06 -0.23 1.14 -0.49 0.00 0.00 175.26 175.78 1wjm s GLN 9 N 0.64 1.45 -0.11 1.61 0.00 -1.26 -4.57 119.66 117.42 1wjm s GLN 9 Ca -0.12 -1.11 -0.05 0.00 -0.00 0.00 0.00 55.36 54.07 1wjm s GLN 9 Cb -0.16 -1.69 0.05 0.00 0.00 0.00 0.00 33.01 31.21 1wjm s GLN 9 CO 0.03 0.42 0.26 1.41 0.00 0.00 0.00 175.29 177.40 1wjm s MET 10 N -1.51 0.21 -0.03 9.60 1.75 -0.95 -4.97 119.30 123.40 1wjm s MET 10 Ca 0.10 0.55 -0.00 0.00 -1.25 0.00 0.00 55.69 55.09 1wjm s MET 10 Cb -0.10 -0.11 0.03 0.00 2.84 0.00 0.00 34.83 37.49 1wjm s MET 10 CO 0.03 -0.17 0.02 -1.83 -0.65 0.00 0.00 175.02 172.43 1wjm s GLU 11 N 1.32 0.16 -0.13 4.11 -1.05 -1.26 0.15 118.70 121.99 1wjm s GLU 11 Ca -0.09 0.18 -0.30 0.00 -0.15 0.00 0.00 54.97 54.61 1wjm s GLU 11 Cb -0.10 -0.48 0.13 0.00 -0.44 0.00 0.00 34.13 33.23 1wjm s GLU 11 CO -0.09 -0.21 1.01 0.20 0.95 0.00 0.00 175.26 177.13 1wjm s GLY 12 N 1.40 -0.30 0.07 -3.83 0.00 -0.26 -5.00 107.32 99.40 1wjm s GLY 12 Ca -0.05 1.77 -0.32 0.00 0.00 0.00 0.00 44.72 46.12 1wjm s GLY 12 CO -0.03 0.80 1.87 -0.13 0.00 0.00 0.00 173.10 175.62 1wjm n MET 13 N 0.38 2.67 -4.02 2.90 1.56 -1.26 -1.86 117.12 117.49 1wjm n MET 13 Ca -0.08 0.98 -0.08 0.00 -0.27 0.00 0.00 57.70 58.25 1wjm n MET 13 Cb 0.59 -2.87 -0.10 0.00 2.15 0.00 0.00 33.22 32.99 1wjm n MET 13 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wjm s LEU 14 N 3.33 2.24 -0.68 -0.89 1.02 -1.07 -4.77 118.68 117.86 1wjm s LEU 14 Ca 0.86 -0.81 -0.17 0.00 0.02 0.00 0.00 54.13 54.02 1wjm s LEU 14 Cb -0.52 0.33 0.14 0.00 0.02 0.00 0.00 46.19 46.16 1wjm s LEU 14 CO 0.41 -0.55 0.73 0.00 0.02 0.00 0.00 176.35 176.96 1wjm s ARG 16 N 1.85 4.16 -0.35 0.00 3.52 -0.95 -3.23 118.95 123.94 1wjm s ARG 16 Ca 0.14 0.64 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 1wjm s ARG 16 Cb -0.19 -3.62 0.11 0.00 -1.56 0.00 0.00 34.95 29.68 1wjm s ARG 16 CO -0.00 -0.37 0.10 0.21 -0.81 0.00 0.00 175.30 174.43 1wjm s LYS 17 N 2.36 1.25 -0.25 5.12 2.20 -0.14 -3.41 119.74 126.86 1wjm s LYS 17 Ca 0.29 -1.68 -0.28 0.00 -0.36 0.00 0.00 55.97 53.94 1wjm s LYS 17 Cb -0.16 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 1wjm s LYS 17 CO 0.09 -0.99 2.23 -1.14 -0.36 0.00 0.00 175.35 175.18 1wjm s GLN 18 N 0.99 3.02 -0.18 4.03 0.74 -1.26 -2.49 119.66 124.51 1wjm s GLN 18 Ca 0.12 1.95 -0.16 0.00 0.05 0.00 0.00 55.36 57.31 1wjm s GLN 18 Cb -0.19 -4.39 -0.21 0.00 1.10 0.00 0.00 33.01 29.31 1wjm s GLN 18 CO -0.12 -2.23 0.24 0.39 -0.55 0.00 0.00 175.29 173.02 1wjm n GLU 19 N 8.79 0.63 -4.63 1.67 -0.58 -0.65 -3.84 120.64 122.03 1wjm n GLU 19 Ca 0.30 0.46 -0.24 0.00 -0.42 0.00 0.00 57.16 57.26 1wjm n GLU 19 Cb 0.46 -1.72 -0.14 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.44 1.26 -0.00 3.49 -1.94 -1.03 -2.61 119.30 116.03 1wjm s MET 20 Ca -0.27 -0.76 0.17 0.00 -1.71 0.00 0.00 55.69 53.12 1wjm s MET 20 Cb 0.06 -1.29 -0.19 0.00 2.01 0.00 0.00 34.83 35.43 1wjm s MET 20 CO 0.65 0.34 0.69 -1.91 -0.01 0.00 0.00 175.02 174.78 1wjm n GLU 21 N 2.19 1.35 0.00 2.03 2.13 -0.46 -2.40 120.64 125.48 1wjm n GLU 21 Ca -0.16 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1wjm n GLU 21 Cb 0.54 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.94 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 -1.52 4.31 0.00 -0.42 -4.58 120.51 116.85 1wjm n ALA 22 Ca 0.03 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.92 1wjm n ALA 22 Cb 0.28 0.00 -0.08 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 -0.26 1.72 -1.35 0.00 3.72 -1.24 0.20 117.46 120.26 1wjm n PHE 23 Ca 0.00 0.43 -0.12 0.00 -0.05 0.00 0.00 57.45 57.72 1wjm n PHE 23 Cb 0.00 -2.47 -0.05 0.00 -0.94 0.00 0.00 39.48 36.01 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 5.80 1.25 3.47 1.37 0.00 -1.26 -4.97 105.19 110.85 1wjm n GLY 24 Ca 0.38 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1wjm n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wjm s LYS 25 N -2.89 3.63 -0.09 1.61 2.47 0.53 -5.07 119.74 119.93 1wjm s LYS 25 Ca 0.00 -0.53 -0.06 0.00 -1.56 0.00 0.00 55.97 53.82 1wjm s LYS 25 Cb 0.00 -2.97 -0.04 0.00 -1.46 0.00 0.00 37.83 33.36 1wjm s LYS 25 CO 0.00 0.14 0.16 -1.59 0.16 0.00 0.00 175.35 174.21 1wjm s LYS 26 N 0.64 3.45 0.13 4.03 0.00 -1.26 -1.35 119.74 125.37 1wjm s LYS 26 Ca -0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 55.97 55.47 1wjm s LYS 26 Cb -0.14 -3.16 -0.07 0.00 0.00 0.00 0.00 37.83 34.45 1wjm s LYS 26 CO 0.02 0.75 1.24 0.00 0.00 0.00 0.00 175.35 177.36 1wjm s ALA 27 N -1.11 3.45 0.02 0.59 0.00 -1.07 -4.58 121.76 119.05 1wjm s ALA 27 Ca 0.18 0.95 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 1wjm s ALA 27 Cb -0.12 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1wjm s ALA 27 CO 0.08 -0.44 1.11 0.00 0.00 0.00 0.00 175.76 176.51 1wjm h ALA 28 N 6.09 -0.79 0.13 0.00 0.00 -1.93 -3.28 119.26 119.48 1wjm h ALA 28 Ca -0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1wjm h ALA 28 Cb 1.21 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wjm h ALA 28 CO 0.79 -0.80 -0.09 -0.97 0.00 0.00 0.00 179.25 178.18 1wjm h ASN 29 N -0.19 -0.22 -6.30 0.00 -1.24 -1.92 -3.46 115.58 102.24 1wjm h ASN 29 Ca -0.01 0.01 -0.46 0.00 0.71 0.00 0.00 56.30 56.55 1wjm h ASN 29 Cb 0.17 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 1wjm h ASN 29 CO -0.02 -0.13 -0.84 -1.14 -1.29 0.00 0.00 177.43 174.01 1wjm n ARG 30 N -2.73 -4.36 -4.58 6.67 0.63 -1.24 -4.97 116.66 106.08 1wjm n ARG 30 Ca -0.03 0.53 -0.29 0.00 -0.92 0.00 0.00 57.85 57.14 1wjm n ARG 30 Cb 0.09 -5.01 -0.14 0.00 0.45 0.00 0.00 32.46 27.85 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 -4.12 3.19 0.03 6.15 1.04 -1.26 -4.91 113.70 113.82 1wjm s SER 31 Ca 0.16 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 1wjm s SER 31 Cb -0.08 -0.24 -0.07 0.00 0.10 0.00 0.00 66.02 65.73 1wjm s SER 31 CO 0.85 0.20 1.48 0.26 0.98 0.00 0.00 173.24 177.01 1wjm s TRP 32 N -0.97 2.75 -0.10 5.02 0.52 -1.26 -4.55 118.94 120.36 1wjm s TRP 32 Ca 0.13 0.67 -0.05 0.00 0.02 0.00 0.00 56.10 56.86 1wjm s TRP 32 Cb -0.10 -3.76 0.04 0.00 -1.15 0.00 0.00 33.47 28.50 1wjm s TRP 32 CO 0.04 -2.91 0.23 -0.65 0.02 0.00 0.00 176.95 173.69 1wjm s GLN 33 N 2.35 0.20 -0.47 4.98 -0.21 -1.22 -5.05 119.66 120.25 1wjm s GLN 33 Ca 0.67 0.49 -0.27 0.00 0.02 0.00 0.00 55.36 56.27 1wjm s GLN 33 Cb -0.35 -0.09 -0.03 0.00 1.00 0.00 0.00 33.01 33.54 1wjm s GLN 33 CO 0.29 -0.15 2.00 0.54 -2.12 0.00 0.00 175.29 175.85 1wjm s ASN 34 N 1.10 5.28 -0.12 5.90 4.22 -1.26 -2.24 114.94 127.82 1wjm s ASN 34 Ca -0.08 0.92 0.02 0.00 -2.14 0.00 0.00 52.86 51.58 1wjm s ASN 34 Cb -0.09 -2.52 0.01 0.00 1.28 0.00 0.00 41.25 39.93 1wjm s ASN 34 CO -0.07 -2.26 -0.17 -0.69 -2.04 0.00 0.00 177.10 171.87 1wjm s VAL 35 N 9.08 1.64 -0.22 3.54 1.01 0.83 -4.90 120.40 131.38 1wjm s VAL 35 Ca 0.80 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1wjm s VAL 35 Cb -0.18 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1wjm s VAL 35 CO 0.27 0.47 1.63 -0.47 0.00 0.00 0.00 175.10 176.99 1wjm s TYR 36 N 1.01 2.08 -0.08 5.22 5.04 0.12 -2.61 117.35 128.14 1wjm s TYR 36 Ca -0.05 0.54 -0.29 0.00 -2.44 0.00 0.00 57.07 54.83 1wjm s TYR 36 Cb -0.15 -3.99 -0.02 0.00 0.35 0.00 0.00 41.96 38.16 1wjm s TYR 36 CO -0.03 -2.97 0.97 0.00 -1.34 0.00 0.00 175.55 172.18 1wjm s VAL 38 N 1.72 1.70 -0.00 0.00 1.01 0.23 -1.10 120.40 123.96 1wjm s VAL 38 Ca 0.48 -1.71 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 1wjm s VAL 38 Cb -0.19 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1wjm s VAL 38 CO 0.20 -0.41 0.24 -0.22 0.00 0.00 0.00 175.10 174.90 1wjm s LEU 39 N 1.24 4.37 0.00 3.92 0.20 0.39 0.20 118.68 129.00 1wjm s LEU 39 Ca 0.04 0.49 0.00 0.00 0.69 0.00 0.00 54.13 55.34 1wjm s LEU 39 Cb -0.19 -2.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.94 1wjm s LEU 39 CO -0.11 0.26 0.00 -1.14 -0.29 0.00 0.00 176.35 175.07 1wjm n ARG 40 N 1.09 0.00 -0.69 1.98 3.00 0.88 -2.25 116.66 120.67 1wjm n ARG 40 Ca -0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.42 1wjm n ARG 40 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.93 1wjm n ARG 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1wjm n ARG 41 N 0.00 0.97 -2.47 -0.14 3.00 -1.26 -3.58 116.66 113.18 1wjm n ARG 41 Ca 0.00 -1.31 -0.06 0.00 -0.01 0.00 0.00 57.85 56.47 1wjm n ARG 41 Cb 0.00 -2.55 0.03 0.00 0.00 0.00 0.00 32.46 29.94 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 4.40 0.17 3.64 -0.13 0.00 -1.26 -5.01 105.19 107.00 1wjm n GLY 42 Ca 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1wjm n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wjm s SER 43 N -3.45 -1.08 -0.42 1.61 0.01 -1.23 -2.69 113.70 106.44 1wjm s SER 43 Ca 0.00 1.54 -0.10 0.00 1.31 0.00 0.00 55.95 58.70 1wjm s SER 43 Cb -0.00 2.08 0.07 0.00 0.21 0.00 0.00 66.02 68.38 1wjm s SER 43 CO 0.25 -0.22 0.27 -0.22 0.41 0.00 0.00 173.24 173.72 1wjm s LEU 44 N 2.60 5.14 0.08 2.44 2.96 -0.80 -0.08 118.68 131.02 1wjm s LEU 44 Ca -0.07 -1.42 -0.00 0.00 -0.22 0.00 0.00 54.13 52.42 1wjm s LEU 44 Cb -0.10 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1wjm s LEU 44 CO -0.19 -0.53 0.24 -0.83 -1.32 0.00 0.00 176.35 173.72 1wjm s GLY 45 N 2.09 2.14 -0.08 7.98 0.00 0.53 -0.60 107.32 119.38 1wjm s GLY 45 Ca 0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 1wjm s GLY 45 CO 0.03 -0.81 -0.05 -1.36 0.00 0.00 0.00 173.10 170.91 1wjm s PHE 46 N -1.55 3.00 0.05 1.90 0.08 -1.26 0.74 117.98 120.93 1wjm s PHE 46 Ca 0.36 0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.38 1wjm s PHE 46 Cb -0.13 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 1wjm s PHE 46 CO 0.28 0.31 0.05 0.71 -0.10 0.00 0.00 175.22 176.47 1wjm s TYR 47 N -0.66 0.32 0.10 0.36 1.51 -0.45 -3.36 117.35 115.17 1wjm s TYR 47 Ca 0.10 -0.73 -0.28 0.00 -1.01 0.00 0.00 57.07 55.15 1wjm s TYR 47 Cb -0.12 -0.23 -0.11 0.00 -0.11 0.00 0.00 41.96 41.40 1wjm s TYR 47 CO 0.02 -0.39 1.46 -0.22 -1.11 0.00 0.00 175.55 175.31 1wjm h LYS 48 N 3.40 -0.47 0.00 -0.62 1.63 -1.84 0.34 116.57 119.01 1wjm h LYS 48 Ca -0.33 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.46 1wjm h LYS 48 Cb 1.17 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 1wjm h LYS 48 CO 0.56 -0.31 0.03 -0.25 -3.45 0.00 0.00 179.45 176.03 1wjm n ASP 49 N -4.94 -0.60 0.02 4.20 8.00 -1.26 -3.74 116.55 118.23 1wjm n ASP 49 Ca -0.05 -1.54 0.06 0.00 0.71 0.00 0.00 54.79 53.97 1wjm n ASP 49 Cb 0.31 1.04 0.25 0.00 -0.02 0.00 0.00 41.12 42.70 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wjm n ALA 50 N -2.26 1.47 0.14 2.24 0.00 -1.26 -0.88 120.51 119.97 1wjm n ALA 50 Ca -0.05 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1wjm n ALA 50 Cb 0.18 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.49 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 0.00 0.00 0.00 1.79 -1.99 -3.12 116.57 113.26 1wjm h LYS 51 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1wjm h LYS 51 Cb 0.19 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 1wjm h LYS 51 CO 0.00 0.28 -2.18 0.00 -1.08 0.00 0.00 179.45 176.48 1wjm n ALA 52 N -2.21 1.47 -0.32 3.86 0.00 -0.06 -3.33 120.51 119.92 1wjm n ALA 52 Ca 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 53.44 52.29 1wjm n ALA 52 Cb 0.68 -0.39 0.09 0.00 0.00 0.00 0.00 19.45 19.83 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 0.90 1.12 0.00 0.00 0.00 -1.18 0.38 119.26 120.48 1wjm h ALA 53 Ca -0.47 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1wjm h ALA 53 Cb 2.15 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1wjm h ALA 53 CO 0.04 0.48 -0.48 1.03 0.00 0.00 0.00 179.25 180.32 1wjm h SER 54 N 1.15 0.00 -0.41 0.00 0.87 -1.71 -2.92 113.55 110.53 1wjm h SER 54 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1wjm h SER 54 Cb -0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1wjm h SER 54 CO -0.08 0.48 0.00 0.00 -0.53 0.00 0.00 176.83 176.70 1wjm n ALA 55 N -2.23 2.59 -2.19 6.23 0.00 -0.45 -4.88 120.51 119.59 1wjm n ALA 55 Ca 0.02 -0.80 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 1wjm n ALA 55 Cb 0.70 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1wjm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wjm n GLY 56 N 1.02 -0.27 3.61 0.00 0.00 0.76 -4.88 105.19 105.43 1wjm n GLY 56 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.11 5.32 0.44 1.61 1.01 0.10 -5.01 120.40 121.76 1wjm s VAL 57 Ca 0.00 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 1wjm s VAL 57 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1wjm s VAL 57 CO 0.00 0.28 1.05 -2.16 0.00 0.00 0.00 175.10 174.27 1wjm s PRO 58 N 1.54 4.00 0.02 2.72 0.04 -1.26 -4.35 135.00 137.72 1wjm s PRO 58 Ca 0.07 1.46 -0.10 0.00 0.04 0.00 0.00 61.00 62.46 1wjm s PRO 58 Cb -0.15 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1wjm s PRO 58 CO 0.09 -0.27 1.16 -0.92 0.04 0.00 0.00 177.00 177.10 1wjm h TYR 59 N 2.10 -0.40 -1.17 0.56 3.20 -1.84 -3.32 116.97 116.11 1wjm h TYR 59 Ca -0.49 0.00 -0.56 0.00 3.14 0.00 0.00 58.73 60.82 1wjm h TYR 59 Cb 1.22 0.15 -0.42 0.00 1.54 0.00 0.00 36.73 39.21 1wjm h TYR 59 CO 0.57 -0.20 -0.78 0.72 -1.64 0.00 0.00 178.16 176.83 1wjm n HIS 60 N -3.16 3.06 -1.28 -3.82 8.25 -1.26 -4.80 115.22 112.20 1wjm n HIS 60 Ca -0.04 -2.72 -0.12 0.00 -0.26 0.00 0.00 57.72 54.59 1wjm n HIS 60 Cb 0.14 -0.20 -0.05 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 -0.57 1.13 3.80 -1.41 0.00 -1.25 -4.91 105.19 101.97 1wjm n GLY 61 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.88 3.14 0.39 1.61 2.02 -1.26 -5.05 118.70 116.68 1wjm s GLU 62 Ca 0.00 1.19 0.08 0.00 0.02 0.00 0.00 54.97 56.25 1wjm s GLU 62 Cb 0.00 -2.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 1wjm s GLU 62 CO 0.00 -0.95 0.46 0.14 0.02 0.00 0.00 175.26 174.93 1wjm s VAL 63 N -2.55 3.16 0.44 2.63 -7.23 -1.26 -4.81 120.40 110.77 1wjm s VAL 63 Ca 0.63 -1.15 -0.22 0.00 -1.81 0.00 0.00 61.98 59.42 1wjm s VAL 63 Cb -0.16 -3.10 -0.09 0.00 0.56 0.00 0.00 36.38 33.59 1wjm s VAL 63 CO 0.41 -0.05 1.05 -2.16 -0.31 0.00 0.00 175.10 174.04 1wjm s PRO 64 N -4.20 4.00 -0.25 4.82 0.04 -1.26 -4.60 135.00 133.55 1wjm s PRO 64 Ca 0.49 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1wjm s PRO 64 Cb -0.07 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1wjm s PRO 64 CO 0.30 -0.27 0.37 0.14 0.04 0.00 0.00 177.00 177.57 1wjm s VAL 65 N -1.79 5.19 0.15 -0.36 -7.23 0.23 -4.84 120.40 111.76 1wjm s VAL 65 Ca 0.62 0.58 -0.34 0.00 -1.81 0.00 0.00 61.98 61.03 1wjm s VAL 65 Cb -0.20 -3.69 -0.14 0.00 0.56 0.00 0.00 36.38 32.91 1wjm s VAL 65 CO 0.24 0.20 1.56 -0.24 -0.31 0.00 0.00 175.10 176.55 1wjm n SER 66 N 5.01 2.99 -2.93 4.85 2.88 -1.26 -1.90 113.62 123.26 1wjm n SER 66 Ca -0.09 1.09 -0.40 0.00 -1.33 0.00 0.00 58.87 58.14 1wjm n SER 66 Cb 0.51 -1.41 0.04 0.00 -0.75 0.00 0.00 64.21 62.60 1wjm n SER 66 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wjm n LEU 67 N 3.36 7.53 0.00 2.46 4.77 -1.10 -4.82 117.00 129.20 1wjm n LEU 67 Ca 0.17 -4.85 0.00 0.00 -0.03 0.00 0.00 56.01 51.30 1wjm n LEU 67 Cb 0.28 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1wjm n LEU 67 CO 0.63 1.77 0.00 0.00 -1.33 0.00 0.00 177.39 178.46 1wjm n ALA 68 N -0.52 0.00 1.20 -1.18 0.00 -1.26 -3.45 120.51 115.30 1wjm n ALA 68 Ca 0.54 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.99 1wjm n ALA 68 Cb 0.23 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.74 1wjm n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wjm n ARG 69 N 0.00 1.42 -0.96 0.00 5.12 -1.26 -4.30 116.66 116.68 1wjm n ARG 69 Ca 0.00 -0.44 -0.36 0.00 -1.93 0.00 0.00 57.85 55.12 1wjm n ARG 69 Cb 0.00 -1.34 0.05 0.00 -1.16 0.00 0.00 32.46 30.01 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wjm n ALA 70 N -0.04 -5.21 -2.98 7.54 0.00 -1.26 -4.79 120.51 113.76 1wjm n ALA 70 Ca 0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 53.44 52.29 1wjm n ALA 70 Cb 0.24 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.38 1wjm n ALA 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1wjm s GLN 71 N -2.26 2.23 -0.25 0.00 -2.07 0.12 -4.92 119.66 112.51 1wjm s GLN 71 Ca 0.42 -0.72 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 1wjm s GLN 71 Cb -0.10 -1.85 0.06 0.00 -1.09 0.00 0.00 33.01 30.03 1wjm s GLN 71 CO 0.76 0.25 -0.06 0.20 -1.32 0.00 0.00 175.29 175.12 1wjm s GLY 72 N 0.11 1.41 0.06 2.60 0.00 -1.26 -0.95 107.32 109.30 1wjm s GLY 72 Ca -0.08 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.13 1wjm s GLY 72 CO 0.04 0.87 -0.06 -0.56 0.00 0.00 0.00 173.10 173.39 1wjm s SER 73 N 1.30 0.83 0.75 1.64 0.01 -0.69 -4.97 113.70 112.57 1wjm s SER 73 Ca -0.05 -0.81 -0.14 0.00 1.31 0.00 0.00 55.95 56.26 1wjm s SER 73 Cb -0.19 0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.18 1wjm s SER 73 CO -0.06 -0.39 1.16 -0.69 0.41 0.00 0.00 173.24 173.66 1wjm s VAL 74 N -2.74 2.63 -0.10 3.43 1.01 -1.26 0.95 120.40 124.32 1wjm s VAL 74 Ca 0.01 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 1wjm s VAL 74 Cb -0.01 -2.73 -0.18 0.00 0.00 0.00 0.00 36.38 33.47 1wjm s VAL 74 CO -0.04 -0.20 0.68 0.00 0.00 0.00 0.00 175.10 175.55 1wjm h ALA 75 N -0.56 -0.06 -0.65 5.51 0.00 -0.39 -3.37 119.26 119.73 1wjm h ALA 75 Ca -0.46 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1wjm h ALA 75 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1wjm h ALA 75 CO 0.50 -0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.84 1wjm n PHE 76 N -4.74 0.00 -0.50 0.00 3.01 -1.25 -3.73 117.46 110.24 1wjm n PHE 76 Ca -0.07 0.00 0.40 0.00 1.01 0.00 0.00 57.45 58.79 1wjm n PHE 76 Cb 0.31 0.00 0.65 0.00 -0.01 0.00 0.00 39.48 40.43 1wjm n PHE 76 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wjm n ASP 77 N 0.65 0.11 -4.57 4.37 -0.08 -1.26 -3.93 116.55 111.85 1wjm n ASP 77 Ca 0.00 1.08 -0.39 0.00 -1.51 0.00 0.00 54.79 53.97 1wjm n ASP 77 Cb 0.00 -0.53 -0.03 0.00 2.34 0.00 0.00 41.12 42.90 1wjm n ASP 77 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1wjm s TYR 78 N -4.88 1.47 -0.98 -0.67 5.04 -1.24 -4.87 117.35 111.22 1wjm s TYR 78 Ca -0.06 0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 55.51 1wjm s TYR 78 Cb 0.26 -3.94 0.31 0.00 0.35 0.00 0.00 41.96 38.94 1wjm s TYR 78 CO 0.75 -2.72 1.51 0.54 -1.34 0.00 0.00 175.55 174.29 1wjm n ARG 79 N 8.91 4.60 0.09 4.97 1.74 -1.25 -4.51 116.66 131.20 1wjm n ARG 79 Ca 0.27 -4.64 0.00 0.00 -0.77 0.00 0.00 57.85 52.70 1wjm n ARG 79 Cb 0.51 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.50 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wjm n LYS 80 N 0.57 0.00 -3.77 5.56 4.76 -1.26 -5.11 118.16 118.91 1wjm n LYS 80 Ca 0.35 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.43 1wjm n LYS 80 Cb 0.31 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.44 1wjm n LYS 80 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1wjm s ARG 81 N -1.44 3.79 0.37 1.97 0.52 -1.26 -5.08 118.95 117.81 1wjm s ARG 81 Ca 0.00 -0.09 -0.17 0.00 -0.52 0.00 0.00 55.73 54.95 1wjm s ARG 81 Cb 0.00 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.09 1wjm s ARG 81 CO 0.00 0.57 0.82 0.15 0.02 0.00 0.00 175.30 176.86 1wjm s LYS 82 N -0.45 4.07 -0.79 3.54 1.02 -1.26 -4.33 119.74 121.54 1wjm s LYS 82 Ca 0.14 0.83 -0.01 0.00 0.02 0.00 0.00 55.97 56.94 1wjm s LYS 82 Cb -0.12 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1wjm s LYS 82 CO 0.03 0.07 0.73 0.72 -0.92 0.00 0.00 175.35 175.98 1wjm n HIS 83 N -0.54 -2.86 -4.40 3.18 8.25 -1.26 -4.54 115.22 113.05 1wjm n HIS 83 Ca 0.05 1.08 -0.21 0.00 -0.26 0.00 0.00 57.72 58.37 1wjm n HIS 83 Cb 0.53 -4.06 -0.16 0.00 1.12 0.00 0.00 29.99 27.43 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 -3.06 0.83 0.01 1.59 1.01 -1.26 -0.40 120.40 119.12 1wjm s VAL 84 Ca 0.07 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1wjm s VAL 84 Cb -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1wjm s VAL 84 CO 0.76 0.27 -0.14 0.72 0.00 0.00 0.00 175.10 176.71 1wjm s PHE 85 N 0.45 1.24 -0.05 5.22 -0.71 -0.63 0.34 117.98 123.83 1wjm s PHE 85 Ca -0.08 -0.29 -0.13 0.00 -1.04 0.00 0.00 56.93 55.40 1wjm s PHE 85 Cb -0.12 -0.77 -0.05 0.00 -1.21 0.00 0.00 43.02 40.88 1wjm s PHE 85 CO 0.01 0.01 0.33 0.21 -1.34 0.00 0.00 175.22 174.44 1wjm s LYS 86 N -0.70 3.84 -0.21 1.99 2.20 0.27 -2.25 119.74 124.88 1wjm s LYS 86 Ca 0.04 0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 1wjm s LYS 86 Cb -0.06 -3.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1wjm s LYS 86 CO 0.00 0.66 -0.12 -1.17 -0.36 0.00 0.00 175.35 174.36 1wjm s LEU 87 N -0.87 2.58 -0.27 5.43 2.96 0.93 -1.70 118.68 127.73 1wjm s LEU 87 Ca 0.21 -1.00 -0.04 0.00 -0.22 0.00 0.00 54.13 53.08 1wjm s LEU 87 Cb -0.15 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.20 1wjm s LEU 87 CO 0.10 -0.14 0.00 -0.83 -1.32 0.00 0.00 176.35 174.16 1wjm s GLY 88 N 1.30 1.70 0.73 7.98 0.00 -0.12 0.85 107.32 119.76 1wjm s GLY 88 Ca -0.02 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.11 1wjm s GLY 88 CO -0.08 0.58 0.76 1.04 0.00 0.00 0.00 173.10 175.40 1wjm n LEU 89 N 4.76 0.00 -0.07 0.66 4.77 0.28 0.15 117.00 127.56 1wjm n LEU 89 Ca -0.16 -0.82 0.12 0.00 -0.03 0.00 0.00 56.01 55.13 1wjm n LEU 89 Cb 0.47 -0.65 0.30 0.00 -2.33 0.00 0.00 43.42 41.21 1wjm n LEU 89 CO 0.29 -1.50 0.52 0.00 -1.33 0.00 0.00 177.39 175.37 1wjm n GLN 90 N -3.32 0.23 -0.59 3.23 10.64 -1.26 -3.50 117.38 122.80 1wjm n GLN 90 Ca 0.10 -0.13 0.08 0.00 -1.83 0.00 0.00 57.00 55.22 1wjm n GLN 90 Cb 0.37 -1.50 0.32 0.00 -0.86 0.00 0.00 30.24 28.58 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 -1.27 4.40 -0.98 2.61 -0.08 -1.26 -4.88 116.55 115.09 1wjm n ASP 91 Ca 0.07 -2.47 -0.08 0.00 -1.51 0.00 0.00 54.79 50.80 1wjm n ASP 91 Cb 0.34 -0.57 -0.00 0.00 2.34 0.00 0.00 41.12 43.23 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wjm n GLY 92 N 0.94 0.07 3.42 0.27 0.00 -1.23 -3.82 105.19 104.84 1wjm n GLY 92 Ca 0.23 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1wjm n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wjm s LYS 93 N -4.49 2.95 -0.17 1.61 1.02 -1.26 -1.30 119.74 118.10 1wjm s LYS 93 Ca 0.02 -1.01 -0.06 0.00 0.02 0.00 0.00 55.97 54.94 1wjm s LYS 93 Cb -0.01 -3.84 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 1wjm s LYS 93 CO 0.02 -0.70 0.02 -1.21 -0.92 0.00 0.00 175.35 172.56 1wjm s GLU 94 N 1.62 3.80 0.08 1.68 2.02 -1.01 0.10 118.70 127.00 1wjm s GLU 94 Ca 0.04 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.68 1wjm s GLU 94 Cb -0.19 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1wjm s GLU 94 CO 0.08 0.28 -0.19 0.71 0.02 0.00 0.00 175.26 176.17 1wjm s TYR 95 N 0.29 1.61 -0.22 1.61 2.02 0.25 -1.63 117.35 121.28 1wjm s TYR 95 Ca 0.00 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1wjm s TYR 95 Cb -0.13 -0.90 0.03 0.00 -0.40 0.00 0.00 41.96 40.56 1wjm s TYR 95 CO 0.01 0.15 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.52 1wjm s LEU 96 N -1.75 2.84 -0.02 -1.29 1.43 -1.04 -0.05 118.68 118.80 1wjm s LEU 96 Ca 0.04 -0.83 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 1wjm s LEU 96 Cb -0.10 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1wjm s LEU 96 CO 0.03 -0.08 -0.22 -0.36 0.23 0.00 0.00 176.35 175.95 1wjm s PHE 97 N 1.30 2.45 -0.21 0.29 0.08 -0.95 -0.97 117.98 119.95 1wjm s PHE 97 Ca 0.01 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.72 1wjm s PHE 97 Cb -0.16 -1.52 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1wjm s PHE 97 CO -0.07 0.06 -0.14 -1.14 -0.10 0.00 0.00 175.22 173.83 1wjm s GLN 98 N -0.75 2.86 0.77 0.44 0.74 -1.20 -1.61 119.66 120.90 1wjm s GLN 98 Ca 0.11 -0.94 -0.10 0.00 0.05 0.00 0.00 55.36 54.48 1wjm s GLN 98 Cb -0.10 -2.77 0.07 0.00 1.10 0.00 0.00 33.01 31.32 1wjm s GLN 98 CO 0.00 -0.32 1.11 0.00 -0.55 0.00 0.00 175.29 175.53 1wjm s ALA 99 N 1.28 2.87 0.15 1.58 0.00 0.46 -3.61 121.76 124.50 1wjm s ALA 99 Ca 0.01 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1wjm s ALA 99 Cb -0.15 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 1wjm s ALA 99 CO -0.09 -1.52 1.53 1.57 0.00 0.00 0.00 175.76 177.25 1wjm h LYS 100 N -0.86 0.95 0.00 0.00 2.10 -1.86 -3.45 116.57 113.46 1wjm h LYS 100 Ca -0.45 -0.42 0.00 0.00 -2.00 0.00 0.00 60.65 57.78 1wjm h LYS 100 Cb 1.32 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1wjm h LYS 100 CO 0.63 1.09 0.00 -0.25 -2.00 0.00 0.00 179.45 178.92 1wjm n ASP 101 N -4.14 0.00 -0.13 7.07 8.00 -1.26 -4.97 116.55 121.11 1wjm n ASP 101 Ca -0.01 -0.83 -0.11 0.00 0.71 0.00 0.00 54.79 54.55 1wjm n ASP 101 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 1wjm n ASP 101 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1wjm h GLU 102 N 0.00 0.77 0.08 -1.24 4.11 -1.92 -2.66 114.58 113.72 1wjm h GLU 102 Ca 0.00 -0.30 -0.00 0.00 0.07 0.00 0.00 59.36 59.13 1wjm h GLU 102 Cb 0.00 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1wjm h GLU 102 CO 0.00 0.91 -0.07 0.00 0.07 0.00 0.00 179.01 179.92 1wjm h ALA 103 N 0.83 -0.87 -0.96 1.06 0.00 -1.98 0.56 119.26 117.90 1wjm h ALA 103 Ca 0.10 -0.03 0.33 0.00 0.00 0.00 0.00 54.91 55.31 1wjm h ALA 103 Cb 0.64 0.25 -0.18 0.00 0.00 0.00 0.00 17.79 18.50 1wjm h ALA 103 CO 0.04 -0.87 0.26 -1.91 0.00 0.00 0.00 179.25 176.78 1wjm n GLU 104 N -2.63 -0.07 0.06 0.00 4.07 -1.24 -0.03 120.64 120.81 1wjm n GLU 104 Ca -0.02 1.38 -0.03 0.00 -0.06 0.00 0.00 57.16 58.44 1wjm n GLU 104 Cb 0.06 -2.33 -0.01 0.00 -0.06 0.00 0.00 31.44 29.10 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 -0.16 -1.00 5.31 4.05 -1.06 -1.79 114.93 120.28 1wjm h MET 105 Ca 0.70 0.01 0.40 0.00 -0.28 0.00 0.00 59.70 60.53 1wjm h MET 105 Cb 1.67 0.04 -0.18 0.00 -0.80 0.00 0.00 31.60 32.33 1wjm h MET 105 CO -0.82 -0.11 0.49 0.77 0.23 0.00 0.00 176.91 177.47 1wjm h SER 106 N -0.22 0.25 0.63 1.39 0.02 0.15 0.63 113.55 116.40 1wjm h SER 106 Ca -0.02 0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1wjm h SER 106 Cb 0.13 0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.96 1wjm h SER 106 CO 0.03 -0.42 -0.30 0.28 -1.14 0.00 0.00 176.83 175.28 1wjm h SER 107 N 0.02 -0.71 -0.24 3.07 0.02 -0.42 -1.23 113.55 114.05 1wjm h SER 107 Ca 0.82 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.80 1wjm h SER 107 Cb 2.12 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.81 1wjm h SER 107 CO -0.78 -0.48 -0.18 -0.50 -1.14 0.00 0.00 176.83 173.75 1wjm h TRP 108 N -0.89 -0.57 -0.91 3.45 4.06 0.12 0.70 115.95 121.91 1wjm h TRP 108 Ca -0.09 0.04 0.12 0.00 2.06 0.00 0.00 58.89 61.02 1wjm h TRP 108 Cb 0.66 0.28 -0.14 0.00 -1.00 0.00 0.00 29.16 28.97 1wjm h TRP 108 CO -0.02 -0.13 -0.46 -0.07 -3.56 0.00 0.00 178.44 174.19 1wjm h LEU 109 N -0.05 -1.69 -1.26 -4.49 -0.00 -1.35 2.32 115.31 108.79 1wjm h LEU 109 Ca 0.04 0.30 0.21 0.00 -0.00 0.00 0.00 57.88 58.44 1wjm h LEU 109 Cb 0.15 0.81 -0.09 0.00 -0.00 0.00 0.00 40.66 41.53 1wjm h LEU 109 CO -0.25 -0.28 0.62 -0.09 -0.00 0.00 0.00 178.44 178.44 1wjm h ARG 110 N -0.05 0.54 0.12 1.13 2.43 0.50 0.92 114.38 119.96 1wjm h ARG 110 Ca 0.25 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1wjm h ARG 110 Cb 0.53 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1wjm h ARG 110 CO -0.91 0.36 -0.06 0.28 -1.51 0.00 0.00 179.97 178.13 1wjm h VAL 111 N 0.56 0.00 -0.89 0.20 2.07 0.83 -1.90 116.25 117.12 1wjm h VAL 111 Ca 0.55 -0.85 0.24 0.00 0.82 0.00 0.00 66.70 67.46 1wjm h VAL 111 Cb 1.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.77 1wjm h VAL 111 CO -0.30 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.12 1wjm h VAL 112 N -1.01 0.30 -0.60 2.57 2.07 0.36 1.32 116.25 121.26 1wjm h VAL 112 Ca -0.02 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1wjm h VAL 112 Cb 0.12 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1wjm h VAL 112 CO 0.03 0.04 0.04 0.78 0.02 0.00 0.00 177.57 178.48 1wjm h ASN 113 N 0.20 0.97 0.33 0.57 2.35 0.76 0.23 115.58 121.00 1wjm h ASN 113 Ca 0.57 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1wjm h ASN 113 Cb 1.16 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1wjm h ASN 113 CO -0.66 1.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.12 1wjm h ALA 114 N 1.10 1.00 0.08 -0.83 0.00 0.24 0.86 119.26 121.71 1wjm h ALA 114 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 1wjm h ALA 114 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1wjm h ALA 114 CO 0.02 0.00 -1.85 0.00 0.00 0.00 0.00 179.25 177.42 1wjm h ALA 115 N 2.00 0.55 -0.10 0.00 0.00 0.48 -2.72 119.26 119.47 1wjm h ALA 115 Ca 0.00 -1.40 -0.20 0.00 0.00 0.00 0.00 54.91 53.31 1wjm h ALA 115 Cb 0.17 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1wjm h ALA 115 CO 0.00 1.40 -0.72 0.82 0.00 0.00 0.00 179.25 180.76 1wjm h ILE 116 N 0.05 1.32 0.16 0.00 2.04 0.22 -3.25 117.51 118.04 1wjm h ILE 116 Ca -0.36 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 1wjm h ILE 116 Cb 2.03 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.28 1wjm h ILE 116 CO 0.09 0.61 -0.08 0.00 0.00 0.00 0.00 178.15 178.78 1wjm h ALA 117 N 0.48 -0.21 -1.51 1.87 0.00 0.53 -3.31 119.26 117.11 1wjm h ALA 117 Ca -0.06 -0.17 -0.77 0.00 0.00 0.00 0.00 54.91 53.91 1wjm h ALA 117 Cb 1.36 0.08 -0.20 0.00 0.00 0.00 0.00 17.79 19.04 1wjm h ALA 117 CO 0.15 -0.46 1.43 0.43 0.00 0.00 0.00 179.25 180.80 1wjm n SER 118 N -5.04 5.41 0.00 0.00 7.64 -1.02 -4.87 113.62 115.74 1wjm n SER 118 Ca -0.09 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.68 1wjm n SER 118 Cb 0.22 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 119 N 2.93 5.60 3.78 0.23 0.00 -1.22 -4.67 105.19 111.84 1wjm n GLY 119 Ca 0.35 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 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 3.81 0.51 0.23 1.61 0.04 -1.26 -5.01 135.00 134.93 1wjm s PRO 120 Ca 0.00 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1wjm s PRO 120 Cb 0.00 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1wjm s PRO 120 CO 0.00 -2.58 0.00 0.45 0.04 0.00 0.00 177.00 174.91 1wjm n SER 121 N -3.98 -1.27 -4.54 6.66 2.88 -1.26 -4.97 113.62 107.14 1wjm n SER 121 Ca 0.10 0.43 -0.43 0.00 -1.33 0.00 0.00 58.87 57.64 1wjm n SER 121 Cb 0.59 1.34 -0.04 0.00 -0.75 0.00 0.00 64.21 65.36 1wjm n SER 121 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wjm s SER 122 N -3.67 6.40 0.00 -3.46 0.01 -1.26 -5.20 113.70 106.53 1wjm s SER 122 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wjm s SER 122 Cb 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1wjm s SER 122 CO 0.00 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.03