#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wjm s SER 2 N 0.00 4.79 -0.13 1.61 0.01 -1.26 -5.05 113.70 113.66 1wjm s SER 2 Ca 0.00 -1.91 -0.34 0.00 1.31 0.00 0.00 55.95 55.01 1wjm s SER 2 Cb 0.00 -1.65 0.15 0.00 0.21 0.00 0.00 66.02 64.73 1wjm s SER 2 CO 0.00 -0.36 1.42 -0.44 0.41 0.00 0.00 173.24 174.28 1wjm s SER 3 N 1.11 -0.01 0.15 2.44 0.01 -1.26 -5.18 113.70 110.97 1wjm s SER 3 Ca 0.05 -0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.39 1wjm s SER 3 Cb -0.20 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1wjm s SER 3 CO -0.06 -0.03 -0.21 -0.83 0.41 0.00 0.00 173.24 172.52 1wjm s GLY 4 N -2.80 1.43 -0.43 3.44 0.00 -1.26 -5.10 107.32 102.61 1wjm s GLY 4 Ca 0.14 -1.45 -0.27 0.00 0.00 0.00 0.00 44.72 43.14 1wjm s GLY 4 CO -0.06 -1.47 1.02 -0.56 0.00 0.00 0.00 173.10 172.02 1wjm s SER 5 N -2.38 6.64 0.00 1.64 0.01 -1.26 -4.91 113.70 113.44 1wjm s SER 5 Ca 0.14 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1wjm s SER 5 Cb -0.08 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wjm s SER 5 CO 0.06 -1.05 0.00 -1.54 0.41 0.00 0.00 173.24 171.13 1wjm n SER 6 N 7.26 0.00 -3.60 2.44 3.41 -1.26 -5.19 113.62 116.68 1wjm n SER 6 Ca 0.09 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.71 1wjm n SER 6 Cb 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1wjm n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wjm s GLY 7 N 0.00 -0.39 -0.19 5.00 0.00 -1.26 -5.13 107.32 105.34 1wjm s GLY 7 Ca 0.00 1.10 -0.06 0.00 0.00 0.00 0.00 44.72 45.76 1wjm s GLY 7 CO 0.00 0.28 0.03 -0.54 0.00 0.00 0.00 173.10 172.87 1wjm s GLU 8 N -2.25 3.78 0.11 2.90 8.01 -1.26 -5.10 118.70 124.89 1wjm s GLU 8 Ca 0.13 -0.44 0.09 0.00 0.01 0.00 0.00 54.97 54.77 1wjm s GLU 8 Cb 0.04 -3.15 -0.04 0.00 -4.31 0.00 0.00 34.13 26.67 1wjm s GLU 8 CO -0.05 0.13 -0.24 1.14 0.01 0.00 0.00 175.26 176.25 1wjm s GLN 9 N 0.74 1.26 -0.22 1.61 0.00 -1.26 -4.68 119.66 117.10 1wjm s GLN 9 Ca 0.02 -1.23 -0.12 0.00 -0.00 0.00 0.00 55.36 54.03 1wjm s GLN 9 Cb -0.14 -1.61 0.07 0.00 0.00 0.00 0.00 33.01 31.33 1wjm s GLN 9 CO 0.02 0.38 0.53 1.41 0.00 0.00 0.00 175.29 177.63 1wjm s MET 10 N -1.94 0.51 -0.09 9.60 1.75 -1.17 -5.01 119.30 122.95 1wjm s MET 10 Ca 0.10 1.00 -0.04 0.00 -1.25 0.00 0.00 55.69 55.50 1wjm s MET 10 Cb -0.10 0.10 0.05 0.00 2.84 0.00 0.00 34.83 37.72 1wjm s MET 10 CO 0.05 -0.16 0.19 -1.83 -0.65 0.00 0.00 175.02 172.62 1wjm s GLU 11 N 1.64 0.09 0.02 4.11 -1.05 -1.26 -0.03 118.70 122.22 1wjm s GLU 11 Ca -0.09 0.57 -0.28 0.00 -0.15 0.00 0.00 54.97 55.01 1wjm s GLU 11 Cb -0.08 -0.18 0.10 0.00 -0.44 0.00 0.00 34.13 33.53 1wjm s GLU 11 CO -0.16 -0.26 0.88 0.20 0.95 0.00 0.00 175.26 176.87 1wjm s GLY 12 N 1.97 -0.46 0.10 -3.83 0.00 -0.84 -5.01 107.32 99.25 1wjm s GLY 12 Ca -0.01 0.92 -0.32 0.00 0.00 0.00 0.00 44.72 45.31 1wjm s GLY 12 CO -0.07 0.30 1.84 1.03 0.00 0.00 0.00 173.10 176.21 1wjm n MET 13 N -0.27 2.72 -3.91 2.90 2.81 -1.26 -2.33 117.12 117.77 1wjm n MET 13 Ca -0.09 0.99 -0.10 0.00 -1.81 0.00 0.00 57.70 56.69 1wjm n MET 13 Cb 0.62 -2.88 -0.09 0.00 -0.71 0.00 0.00 33.22 30.15 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 2.92 1.72 -0.68 4.03 1.02 -1.05 -4.73 118.68 121.92 1wjm s LEU 14 Ca 0.83 -0.45 -0.17 0.00 0.02 0.00 0.00 54.13 54.36 1wjm s LEU 14 Cb -0.50 0.64 0.14 0.00 0.02 0.00 0.00 46.19 46.48 1wjm s LEU 14 CO 0.39 -0.48 0.72 0.00 0.02 0.00 0.00 176.35 177.00 1wjm s ARG 16 N 1.81 3.40 -0.38 0.00 3.52 -1.05 -2.84 118.95 123.42 1wjm s ARG 16 Ca 0.13 -0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1wjm s ARG 16 Cb -0.20 -3.95 0.11 0.00 -1.56 0.00 0.00 34.95 29.34 1wjm s ARG 16 CO -0.00 -1.17 0.14 0.21 -0.81 0.00 0.00 175.30 173.66 1wjm s LYS 17 N 3.40 1.76 0.40 5.12 2.20 0.79 -4.01 119.74 129.40 1wjm s LYS 17 Ca 0.30 -1.85 -0.27 0.00 -0.36 0.00 0.00 55.97 53.79 1wjm s LYS 17 Cb -0.12 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.68 1wjm s LYS 17 CO 0.23 -1.01 1.48 0.94 -0.36 0.00 0.00 175.35 176.62 1wjm n GLN 18 N 4.43 2.56 0.03 4.03 -0.06 -1.26 -2.28 117.38 124.83 1wjm n GLN 18 Ca 0.01 0.90 0.00 0.00 -2.00 0.00 0.00 57.00 55.91 1wjm n GLN 18 Cb 0.42 -2.67 0.00 0.00 -4.06 0.00 0.00 30.24 23.93 1wjm n GLN 18 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1wjm n GLU 19 N 0.22 0.00 -5.23 3.69 -0.58 -0.49 -4.35 120.64 113.90 1wjm n GLU 19 Ca 0.02 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.46 1wjm n GLU 19 Cb 0.40 -0.37 -0.16 0.00 -0.57 0.00 0.00 31.44 30.74 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 -2.00 2.20 -0.00 3.49 -1.94 -0.99 -1.37 119.30 118.69 1wjm s MET 20 Ca 0.00 -0.88 0.20 0.00 -1.71 0.00 0.00 55.69 53.30 1wjm s MET 20 Cb 0.00 -2.01 -0.22 0.00 2.01 0.00 0.00 34.83 34.61 1wjm s MET 20 CO 0.00 0.46 0.85 -1.91 -0.01 0.00 0.00 175.02 174.41 1wjm n GLU 21 N 2.68 0.32 0.00 2.03 2.13 -0.63 -1.41 120.64 125.77 1wjm n GLU 21 Ca -0.17 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1wjm n GLU 21 Cb 0.52 -1.46 0.00 0.00 0.27 0.00 0.00 31.44 30.77 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 -1.49 0.00 -1.45 4.31 0.00 -0.73 -4.44 120.51 116.70 1wjm n ALA 22 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.01 1wjm n ALA 22 Cb 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.12 1.17 0.00 0.00 3.72 -1.24 0.20 117.46 121.20 1wjm n PHE 23 Ca 0.00 0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 1wjm n PHE 23 Cb 0.00 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.08 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 6.59 3.00 3.64 1.37 0.00 -1.26 -4.97 105.19 113.56 1wjm n GLY 24 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.19 3.92 0.14 1.61 2.47 0.55 -4.98 119.74 123.27 1wjm s LYS 25 Ca 0.00 1.69 -0.24 0.00 -1.56 0.00 0.00 55.97 55.86 1wjm s LYS 25 Cb 0.00 -3.98 -0.08 0.00 -1.46 0.00 0.00 37.83 32.32 1wjm s LYS 25 CO 0.00 -1.13 0.75 -1.59 0.16 0.00 0.00 175.35 173.54 1wjm s LYS 26 N 4.37 4.51 0.08 4.03 0.00 -1.26 -1.61 119.74 129.86 1wjm s LYS 26 Ca 0.68 1.09 -0.31 0.00 0.00 0.00 0.00 55.97 57.43 1wjm s LYS 26 Cb -0.25 -3.27 -0.06 0.00 0.00 0.00 0.00 37.83 34.25 1wjm s LYS 26 CO 0.27 0.56 1.24 0.00 0.00 0.00 0.00 175.35 177.41 1wjm s ALA 27 N -1.04 3.44 0.05 0.59 0.00 -0.47 -4.63 121.76 119.70 1wjm s ALA 27 Ca 0.35 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 1wjm s ALA 27 Cb -0.22 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 1wjm s ALA 27 CO 0.25 -0.47 1.24 0.00 0.00 0.00 0.00 175.76 176.78 1wjm h ALA 28 N 6.69 -0.65 -3.10 0.00 0.00 -1.95 -3.39 119.26 116.87 1wjm h ALA 28 Ca -0.42 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 53.81 1wjm h ALA 28 Cb 1.21 0.75 -0.27 0.00 0.00 0.00 0.00 17.79 19.48 1wjm h ALA 28 CO 0.82 -0.73 -0.73 1.21 0.00 0.00 0.00 179.25 179.82 1wjm s ASN 29 N -3.54 4.26 -0.67 0.00 3.84 -1.26 -5.02 114.94 112.55 1wjm s ASN 29 Ca -0.07 -0.35 0.04 0.00 0.21 0.00 0.00 52.86 52.69 1wjm s ASN 29 Cb 0.03 -1.71 0.31 0.00 -0.55 0.00 0.00 41.25 39.33 1wjm s ASN 29 CO 0.26 0.04 1.00 0.54 -2.79 0.00 0.00 177.10 176.15 1wjm n ARG 30 N 4.38 3.30 -4.06 0.43 1.74 -1.26 -4.72 116.66 116.48 1wjm n ARG 30 Ca -0.18 -4.77 -0.22 0.00 -0.77 0.00 0.00 57.85 51.91 1wjm n ARG 30 Cb 0.51 -2.28 -0.04 0.00 -1.02 0.00 0.00 32.46 29.63 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wjm s SER 31 N -2.86 5.71 -0.07 0.55 0.01 -1.26 -4.92 113.70 110.86 1wjm s SER 31 Ca 0.44 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 57.31 1wjm s SER 31 Cb 0.22 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 1wjm s SER 31 CO -0.08 -0.07 0.58 0.26 0.41 0.00 0.00 173.24 174.34 1wjm s TRP 32 N -2.11 3.59 -0.10 2.43 0.52 -1.26 -4.42 118.94 117.59 1wjm s TRP 32 Ca 0.34 1.09 -0.08 0.00 0.02 0.00 0.00 56.10 57.47 1wjm s TRP 32 Cb -0.08 -2.64 0.03 0.00 -1.15 0.00 0.00 33.47 29.63 1wjm s TRP 32 CO 0.26 0.21 0.27 -0.65 0.02 0.00 0.00 176.95 177.06 1wjm s GLN 33 N 0.39 0.29 -0.51 4.98 -0.21 -1.26 -5.06 119.66 118.28 1wjm s GLN 33 Ca 0.31 0.43 -0.27 0.00 0.02 0.00 0.00 55.36 55.84 1wjm s GLN 33 Cb -0.17 0.07 -0.02 0.00 1.00 0.00 0.00 33.01 33.90 1wjm s GLN 33 CO 0.15 -0.07 1.83 -0.80 -2.12 0.00 0.00 175.29 174.27 1wjm s ASN 34 N 0.48 5.51 -0.13 5.90 -0.87 -1.26 -2.52 114.94 122.04 1wjm s ASN 34 Ca -0.03 0.69 0.02 0.00 -1.57 0.00 0.00 52.86 51.97 1wjm s ASN 34 Cb -0.04 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.67 1wjm s ASN 34 CO -0.02 -2.12 -0.18 -0.69 -2.57 0.00 0.00 177.10 171.51 1wjm s VAL 35 N 8.25 1.77 -0.38 1.60 1.01 0.76 -4.81 120.40 128.60 1wjm s VAL 35 Ca 0.71 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1wjm s VAL 35 Cb -0.16 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1wjm s VAL 35 CO 0.26 0.49 1.43 -0.47 0.00 0.00 0.00 175.10 176.81 1wjm s TYR 36 N 1.05 2.39 0.05 5.22 5.04 0.36 -2.53 117.35 128.93 1wjm s TYR 36 Ca -0.03 0.69 -0.30 0.00 -2.44 0.00 0.00 57.07 54.99 1wjm s TYR 36 Cb -0.15 -4.22 -0.05 0.00 0.35 0.00 0.00 41.96 37.90 1wjm s TYR 36 CO -0.05 -2.05 1.11 0.00 -1.34 0.00 0.00 175.55 173.22 1wjm s VAL 38 N 0.91 1.36 -0.12 0.00 1.01 0.19 -1.99 120.40 121.76 1wjm s VAL 38 Ca 0.55 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1wjm s VAL 38 Cb -0.26 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1wjm s VAL 38 CO 0.29 -0.35 0.17 -0.22 0.00 0.00 0.00 175.10 175.00 1wjm s LEU 39 N 1.43 4.37 -0.30 3.92 2.96 0.96 0.19 118.68 132.22 1wjm s LEU 39 Ca 0.02 0.50 -0.27 0.00 -0.22 0.00 0.00 54.13 54.15 1wjm s LEU 39 Cb -0.18 -2.14 0.20 0.00 0.50 0.00 0.00 46.19 44.57 1wjm s LEU 39 CO -0.12 0.36 1.42 -0.60 -1.32 0.00 0.00 176.35 176.10 1wjm s ARG 40 N -0.83 0.03 -1.46 1.98 3.52 -0.59 -3.05 118.95 118.56 1wjm s ARG 40 Ca 0.15 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1wjm s ARG 40 Cb -0.12 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.28 1wjm s ARG 40 CO 0.04 -0.01 0.00 0.54 -0.81 0.00 0.00 175.30 175.07 1wjm n ARG 41 N 0.99 -1.39 -2.58 5.12 3.00 -1.26 -0.29 116.66 120.25 1wjm n ARG 41 Ca -0.05 0.84 -0.04 0.00 -0.01 0.00 0.00 57.85 58.60 1wjm n ARG 41 Cb 0.58 -5.09 0.01 0.00 0.00 0.00 0.00 32.46 27.96 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wjm n GLY 42 N -0.19 0.62 3.02 -0.13 0.00 -1.26 -3.24 105.19 104.01 1wjm n GLY 42 Ca -0.14 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.09 -0.09 -0.39 1.61 1.04 0.60 -3.32 113.70 110.06 1wjm s SER 43 Ca 0.07 0.51 -0.19 0.00 0.48 0.00 0.00 55.95 56.82 1wjm s SER 43 Cb -0.03 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1wjm s SER 43 CO 0.12 -0.18 0.57 -0.22 0.98 0.00 0.00 173.24 174.50 1wjm s LEU 44 N 1.51 4.45 0.21 2.42 2.96 -0.44 -1.54 118.68 128.26 1wjm s LEU 44 Ca -0.07 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 1wjm s LEU 44 Cb -0.11 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1wjm s LEU 44 CO -0.08 -0.61 0.26 -0.83 -1.32 0.00 0.00 176.35 173.77 1wjm s GLY 45 N 1.85 1.45 -0.03 7.98 0.00 0.51 0.50 107.32 119.58 1wjm s GLY 45 Ca 0.20 -1.23 0.07 0.00 0.00 0.00 0.00 44.72 43.76 1wjm s GLY 45 CO 0.15 -1.25 -0.25 -1.36 0.00 0.00 0.00 173.10 170.39 1wjm s PHE 46 N -1.93 2.28 0.16 1.90 0.08 -1.26 0.56 117.98 119.77 1wjm s PHE 46 Ca 0.33 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.77 1wjm s PHE 46 Cb -0.09 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1wjm s PHE 46 CO 0.27 -0.09 0.33 0.71 -0.10 0.00 0.00 175.22 176.34 1wjm s TYR 47 N -0.46 0.23 0.03 0.36 1.51 -0.46 -3.50 117.35 115.05 1wjm s TYR 47 Ca 0.06 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 55.42 1wjm s TYR 47 Cb -0.11 0.06 -0.05 0.00 -0.11 0.00 0.00 41.96 41.75 1wjm s TYR 47 CO 0.00 -0.75 1.17 -0.22 -1.11 0.00 0.00 175.55 174.64 1wjm h LYS 48 N 2.48 -0.27 0.00 -0.62 1.63 -1.87 1.04 116.57 118.96 1wjm h LYS 48 Ca -0.31 0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.33 1wjm h LYS 48 Cb 1.23 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.89 1wjm h LYS 48 CO 0.46 -0.18 -0.04 -0.25 -3.45 0.00 0.00 179.45 175.99 1wjm n ASP 49 N -3.27 -1.26 0.10 4.20 8.00 -1.26 -3.49 116.55 119.57 1wjm n ASP 49 Ca -0.03 -2.45 0.08 0.00 0.71 0.00 0.00 54.79 53.10 1wjm n ASP 49 Cb 0.14 2.27 0.40 0.00 -0.02 0.00 0.00 41.12 43.90 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 -1.14 1.23 0.07 2.24 0.00 -1.26 -0.34 120.51 121.31 1wjm n ALA 50 Ca -0.11 0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1wjm n ALA 50 Cb 0.47 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 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 0.03 0.00 1.79 -2.00 -3.12 116.57 113.28 1wjm h LYS 51 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1wjm h LYS 51 Cb 0.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1wjm h LYS 51 CO 0.00 0.72 -0.90 0.00 -1.08 0.00 0.00 179.45 178.19 1wjm h ALA 52 N 1.20 0.16 -0.57 3.86 0.00 -1.02 -3.26 119.26 119.63 1wjm h ALA 52 Ca -0.05 -0.96 0.10 0.00 0.00 0.00 0.00 54.91 54.00 1wjm h ALA 52 Cb 1.66 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 19.78 1wjm h ALA 52 CO 0.10 0.51 -0.32 0.00 0.00 0.00 0.00 179.25 179.53 1wjm h ALA 53 N -0.23 -0.02 -0.59 0.00 0.00 -1.24 1.67 119.26 118.84 1wjm h ALA 53 Ca -0.23 0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1wjm h ALA 53 Cb 1.32 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 19.77 1wjm h ALA 53 CO -0.08 -0.66 0.10 1.03 0.00 0.00 0.00 179.25 179.63 1wjm h SER 54 N -0.16 -0.06 -0.08 0.00 0.87 -1.70 0.20 113.55 112.62 1wjm h SER 54 Ca 0.23 0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1wjm h SER 54 Cb 0.54 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1wjm h SER 54 CO -0.66 -0.02 -0.25 0.00 -0.53 0.00 0.00 176.83 175.37 1wjm h ALA 55 N 1.49 1.07 -0.02 6.23 0.00 -0.52 -3.47 119.26 124.04 1wjm h ALA 55 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wjm h ALA 55 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wjm h ALA 55 CO -0.42 0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1wjm n GLY 56 N -0.35 1.40 3.65 0.00 0.00 0.53 -5.07 105.19 105.35 1wjm n GLY 56 Ca -0.00 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.02 5.33 0.22 1.61 1.01 -0.88 -4.99 120.40 120.67 1wjm s VAL 57 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1wjm s VAL 57 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1wjm s VAL 57 CO 0.00 0.31 1.10 -2.16 0.00 0.00 0.00 175.10 174.35 1wjm s PRO 58 N 1.25 4.61 0.06 2.72 0.04 -1.26 -4.43 135.00 137.99 1wjm s PRO 58 Ca 0.09 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 1wjm s PRO 58 Cb -0.14 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 1wjm s PRO 58 CO 0.06 0.12 1.25 -0.92 0.04 0.00 0.00 177.00 177.55 1wjm h TYR 59 N 4.64 -0.76 -1.43 0.56 3.20 -1.86 -3.20 116.97 118.12 1wjm h TYR 59 Ca -0.45 0.04 -0.54 0.00 3.14 0.00 0.00 58.73 60.92 1wjm h TYR 59 Cb 1.21 0.35 -0.42 0.00 1.54 0.00 0.00 36.73 39.42 1wjm h TYR 59 CO 0.61 -0.23 -0.84 0.72 -1.64 0.00 0.00 178.16 176.79 1wjm n HIS 60 N -3.89 2.89 -1.40 -3.82 8.25 -1.26 -4.89 115.22 111.10 1wjm n HIS 60 Ca -0.02 -3.08 -0.12 0.00 -0.26 0.00 0.00 57.72 54.24 1wjm n HIS 60 Cb 0.16 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.37 1.13 3.87 -1.41 0.00 -1.21 -4.90 105.19 102.29 1wjm n GLY 61 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.12 3.66 0.39 1.61 2.02 -1.26 -5.05 118.70 116.94 1wjm s GLU 62 Ca 0.00 0.78 0.08 0.00 0.02 0.00 0.00 54.97 55.85 1wjm s GLU 62 Cb 0.00 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1wjm s GLU 62 CO 0.00 -0.52 0.37 0.14 0.02 0.00 0.00 175.26 175.27 1wjm s VAL 63 N -3.09 3.01 0.30 2.63 -7.23 -1.26 -4.81 120.40 109.95 1wjm s VAL 63 Ca 0.56 -1.32 -0.28 0.00 -1.81 0.00 0.00 61.98 59.13 1wjm s VAL 63 Cb -0.11 -3.07 -0.09 0.00 0.56 0.00 0.00 36.38 33.67 1wjm s VAL 63 CO 0.50 -0.06 1.07 -2.16 -0.31 0.00 0.00 175.10 174.15 1wjm s PRO 64 N -4.10 4.56 -0.15 4.82 0.04 -1.26 -4.66 135.00 134.24 1wjm s PRO 64 Ca 0.46 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 1wjm s PRO 64 Cb -0.05 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 1wjm s PRO 64 CO 0.28 0.16 0.64 0.14 0.04 0.00 0.00 177.00 178.27 1wjm s VAL 65 N -1.27 5.04 0.10 -0.36 -7.23 0.18 -4.82 120.40 112.05 1wjm s VAL 65 Ca 0.47 1.25 -0.31 0.00 -1.81 0.00 0.00 61.98 61.58 1wjm s VAL 65 Cb -0.29 -3.97 -0.08 0.00 0.56 0.00 0.00 36.38 32.60 1wjm s VAL 65 CO 0.37 0.17 1.39 -0.94 -0.31 0.00 0.00 175.10 175.78 1wjm s SER 66 N 1.02 6.83 -0.25 4.85 1.04 -1.26 -1.33 113.70 124.60 1wjm s SER 66 Ca 0.31 2.30 0.04 0.00 0.48 0.00 0.00 55.95 59.08 1wjm s SER 66 Cb -0.16 -2.58 0.44 0.00 0.10 0.00 0.00 66.02 63.81 1wjm s SER 66 CO 0.12 -0.66 1.50 0.18 0.98 0.00 0.00 173.24 175.37 1wjm n LEU 67 N 4.10 4.99 -4.60 2.42 4.77 -1.21 -4.79 117.00 122.68 1wjm n LEU 67 Ca 0.12 -2.61 -0.43 0.00 -0.03 0.00 0.00 56.01 53.05 1wjm n LEU 67 Cb 0.43 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1wjm n LEU 67 CO 0.59 0.75 1.28 0.00 -1.33 0.00 0.00 177.39 178.67 1wjm s ALA 68 N -2.06 3.05 -0.93 -1.18 0.00 -1.26 -2.41 121.76 116.96 1wjm s ALA 68 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1wjm s ALA 68 Cb 0.29 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1wjm s ALA 68 CO 0.08 -2.37 0.00 0.54 0.00 0.00 0.00 175.76 174.00 1wjm n ARG 69 N 8.06 -0.83 -1.89 0.00 1.74 -1.26 -4.46 116.66 118.02 1wjm n ARG 69 Ca 0.17 0.76 -0.31 0.00 -0.77 0.00 0.00 57.85 57.70 1wjm n ARG 69 Cb 0.48 -4.69 0.01 0.00 -1.02 0.00 0.00 32.46 27.24 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 -2.22 2.95 -0.15 7.54 0.00 -1.01 -3.99 121.76 124.87 1wjm s ALA 70 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1wjm s ALA 70 Cb 0.00 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 1wjm s ALA 70 CO 0.00 -0.77 -0.15 -0.65 0.00 0.00 0.00 175.76 174.19 1wjm s GLN 71 N -4.86 3.22 -0.24 0.00 -0.21 0.37 -4.91 119.66 113.03 1wjm s GLN 71 Ca 0.57 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 55.22 1wjm s GLN 71 Cb -0.12 -2.62 0.04 0.00 1.00 0.00 0.00 33.01 31.31 1wjm s GLN 71 CO 0.49 0.03 -0.11 0.20 -2.12 0.00 0.00 175.29 173.77 1wjm s GLY 72 N 0.79 1.60 0.06 3.09 0.00 -1.26 0.13 107.32 111.73 1wjm s GLY 72 Ca -0.06 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.09 1wjm s GLY 72 CO 0.00 0.52 -0.06 -0.45 0.00 0.00 0.00 173.10 173.12 1wjm s SER 73 N 1.20 0.82 0.74 1.64 0.15 -0.55 -4.97 113.70 112.72 1wjm s SER 73 Ca -0.04 -0.81 -0.11 0.00 0.70 0.00 0.00 55.95 55.69 1wjm s SER 73 Cb -0.18 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1wjm s SER 73 CO -0.06 -0.40 1.09 0.68 1.20 0.00 0.00 173.24 175.75 1wjm s VAL 74 N -2.78 3.45 -0.57 4.45 -7.23 -1.26 0.12 120.40 116.57 1wjm s VAL 74 Ca 0.01 0.47 0.06 0.00 -1.81 0.00 0.00 61.98 60.71 1wjm s VAL 74 Cb -0.00 -3.34 0.22 0.00 0.56 0.00 0.00 36.38 33.82 1wjm s VAL 74 CO -0.04 -0.61 0.58 0.00 -0.31 0.00 0.00 175.10 174.72 1wjm n ALA 75 N -3.17 3.40 0.05 1.32 0.00 0.26 -4.26 120.51 118.10 1wjm n ALA 75 Ca 0.07 -4.20 0.02 0.00 0.00 0.00 0.00 53.44 49.33 1wjm n ALA 75 Cb 0.56 -0.89 0.37 0.00 0.00 0.00 0.00 19.45 19.49 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 4.61 0.42 -0.70 0.00 0.04 -1.96 -2.72 116.94 116.62 1wjm h PHE 76 Ca 0.17 -0.03 0.14 0.00 2.80 0.00 0.00 57.97 61.05 1wjm h PHE 76 Cb 0.76 -0.13 -0.13 0.00 2.20 0.00 0.00 35.95 38.65 1wjm h PHE 76 CO 0.57 0.41 -0.20 -0.44 -0.60 0.00 0.00 178.31 178.06 1wjm h ASP 77 N 0.40 -0.72 -0.98 2.17 3.32 -1.92 -3.37 116.42 115.32 1wjm h ASP 77 Ca 0.09 0.22 -0.55 0.00 0.02 0.00 0.00 57.03 56.81 1wjm h ASP 77 Cb 0.23 0.46 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1wjm h ASP 77 CO 0.00 -0.24 1.60 0.00 -1.72 0.00 0.00 179.24 178.87 1wjm n TYR 78 N -5.47 1.25 0.07 4.55 4.19 -1.03 -4.81 117.16 115.91 1wjm n TYR 78 Ca 0.09 0.24 -0.04 0.00 3.31 0.00 0.00 57.90 61.50 1wjm n TYR 78 Cb 0.37 -2.53 -0.02 0.00 0.49 0.00 0.00 39.34 37.65 1wjm n TYR 78 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1wjm h ARG 79 N 14.95 -0.25 0.00 2.98 -0.00 -1.88 -3.41 114.38 126.77 1wjm h ARG 79 Ca -0.20 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.30 1wjm h ARG 79 Cb 1.30 0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.33 1wjm h ARG 79 CO 1.17 -0.17 0.00 1.63 0.00 0.00 0.00 179.97 182.61 1wjm n LYS 80 N -4.60 0.00 -1.90 0.04 5.02 -1.26 -4.02 118.16 111.44 1wjm n LYS 80 Ca -0.03 0.13 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1wjm n LYS 80 Cb 0.10 -0.64 -0.03 0.00 -0.02 0.00 0.00 35.03 34.45 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 -0.28 3.55 0.76 1.97 0.52 -1.26 -4.97 118.95 119.23 1wjm s ARG 81 Ca 0.00 1.82 -0.09 0.00 -0.52 0.00 0.00 55.73 56.94 1wjm s ARG 81 Cb 0.00 -4.18 0.09 0.00 0.52 0.00 0.00 34.95 31.37 1wjm s ARG 81 CO 0.00 -1.61 1.09 0.15 0.02 0.00 0.00 175.30 174.95 1wjm s LYS 82 N 5.34 1.93 -1.19 3.54 -0.14 -1.26 -4.31 119.74 123.64 1wjm s LYS 82 Ca 0.83 -0.24 -0.35 0.00 -1.36 0.00 0.00 55.97 54.85 1wjm s LYS 82 Cb -0.29 -2.09 0.05 0.00 -1.68 0.00 0.00 37.83 33.82 1wjm s LYS 82 CO 0.34 -1.47 0.67 0.72 -0.76 0.00 0.00 175.35 174.84 1wjm n HIS 83 N -3.11 -1.34 -4.92 3.18 -0.00 -1.26 -4.53 115.22 103.23 1wjm n HIS 83 Ca 0.09 0.05 -0.27 0.00 -0.00 0.00 0.00 57.72 57.59 1wjm n HIS 83 Cb 0.60 -2.70 -0.16 0.00 -0.00 0.00 0.00 29.99 27.74 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1wjm s VAL 84 N -3.55 1.53 0.08 1.59 1.01 -1.26 -1.58 120.40 118.22 1wjm s VAL 84 Ca 0.49 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.74 1wjm s VAL 84 Cb -0.27 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1wjm s VAL 84 CO 0.96 0.44 -0.19 0.72 0.00 0.00 0.00 175.10 177.02 1wjm s PHE 85 N -0.17 1.67 -0.17 5.22 -0.71 -1.05 0.91 117.98 123.69 1wjm s PHE 85 Ca 0.01 -0.41 -0.10 0.00 -1.04 0.00 0.00 56.93 55.39 1wjm s PHE 85 Cb -0.10 -0.94 -0.05 0.00 -1.21 0.00 0.00 43.02 40.72 1wjm s PHE 85 CO 0.01 0.15 0.15 0.21 -1.34 0.00 0.00 175.22 174.40 1wjm s LYS 86 N -1.67 3.98 -0.30 1.99 2.20 0.31 -2.55 119.74 123.70 1wjm s LYS 86 Ca 0.05 -0.15 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1wjm s LYS 86 Cb -0.10 -3.35 0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1wjm s LYS 86 CO 0.03 0.44 -0.00 -1.17 -0.36 0.00 0.00 175.35 174.28 1wjm s LEU 87 N -0.05 3.84 -0.30 5.43 2.96 0.36 -1.48 118.68 129.44 1wjm s LEU 87 Ca 0.11 -1.23 -0.07 0.00 -0.22 0.00 0.00 54.13 52.72 1wjm s LEU 87 Cb -0.12 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1wjm s LEU 87 CO 0.01 -0.25 0.10 -0.83 -1.32 0.00 0.00 176.35 174.06 1wjm s GLY 88 N 1.26 1.81 0.80 7.98 0.00 0.12 0.75 107.32 120.04 1wjm s GLY 88 Ca -0.05 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.09 1wjm s GLY 88 CO -0.01 0.67 1.11 1.08 0.00 0.00 0.00 173.10 175.94 1wjm s LEU 89 N 1.52 2.56 0.42 0.66 1.43 0.37 0.14 118.68 125.78 1wjm s LEU 89 Ca 0.03 1.21 0.20 0.00 -1.03 0.00 0.00 54.13 54.53 1wjm s LEU 89 Cb -0.17 -3.81 0.93 0.00 0.03 0.00 0.00 46.19 43.17 1wjm s LEU 89 CO 0.03 -1.95 1.87 0.06 0.23 0.00 0.00 176.35 176.59 1wjm h GLN 90 N -1.07 0.00 0.00 1.70 3.07 -1.78 -1.18 115.11 115.84 1wjm h GLN 90 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1wjm h GLN 90 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 1wjm h GLN 90 CO 0.61 0.29 0.00 -3.47 0.09 0.00 0.00 178.83 176.35 1wjm n ASP 91 N -3.73 0.00 0.00 0.06 -0.08 -1.26 -4.82 116.55 106.72 1wjm n ASP 91 Ca -0.01 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 1wjm n ASP 91 Cb 0.39 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.69 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 0.64 0.99 3.49 0.27 0.00 -0.45 -3.64 105.19 106.49 1wjm n GLY 92 Ca 0.14 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.06 3.19 -0.31 1.61 1.02 -1.22 -1.78 119.74 120.19 1wjm s LYS 93 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 1wjm s LYS 93 Cb 0.00 -4.00 -0.02 0.00 -0.52 0.00 0.00 37.83 33.29 1wjm s LYS 93 CO 0.00 -1.04 0.19 -2.00 -0.92 0.00 0.00 175.35 171.59 1wjm s GLU 94 N 2.61 3.55 0.25 1.68 2.12 -0.50 0.14 118.70 128.56 1wjm s GLU 94 Ca 0.18 -0.59 0.10 0.00 0.36 0.00 0.00 54.97 55.02 1wjm s GLU 94 Cb -0.16 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.51 1wjm s GLU 94 CO 0.16 -0.37 -0.10 0.71 -0.54 0.00 0.00 175.26 175.12 1wjm s TYR 95 N 1.69 2.52 -0.15 5.30 2.02 0.23 -1.40 117.35 127.57 1wjm s TYR 95 Ca 0.06 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1wjm s TYR 95 Cb -0.17 -1.13 0.02 0.00 -0.40 0.00 0.00 41.96 40.28 1wjm s TYR 95 CO 0.09 0.63 -0.13 -0.51 -1.57 0.00 0.00 175.55 174.06 1wjm s LEU 96 N -3.44 1.69 -0.13 -1.29 1.43 -0.97 -0.49 118.68 115.49 1wjm s LEU 96 Ca 0.29 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1wjm s LEU 96 Cb -0.06 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1wjm s LEU 96 CO 0.17 -0.07 -0.20 -0.36 0.23 0.00 0.00 176.35 176.12 1wjm s PHE 97 N 1.50 2.45 -0.34 0.29 0.08 -1.06 -0.15 117.98 120.76 1wjm s PHE 97 Ca 0.04 -1.23 -0.14 0.00 0.12 0.00 0.00 56.93 55.73 1wjm s PHE 97 Cb -0.13 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1wjm s PHE 97 CO -0.10 -0.58 0.28 -1.14 -0.10 0.00 0.00 175.22 173.58 1wjm s GLN 98 N 0.89 3.52 0.98 0.44 0.74 -1.13 -2.52 119.66 122.58 1wjm s GLN 98 Ca -0.06 -0.56 -0.16 0.00 0.05 0.00 0.00 55.36 54.62 1wjm s GLN 98 Cb -0.15 -3.81 0.20 0.00 1.10 0.00 0.00 33.01 30.35 1wjm s GLN 98 CO -0.02 -0.47 1.28 0.00 -0.55 0.00 0.00 175.29 175.52 1wjm s ALA 99 N 1.82 2.04 -0.04 1.58 0.00 -0.62 -3.43 121.76 123.11 1wjm s ALA 99 Ca 0.08 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1wjm s ALA 99 Cb -0.17 -2.82 -0.31 0.00 0.00 0.00 0.00 23.12 19.82 1wjm s ALA 99 CO 0.11 -2.52 0.75 1.57 0.00 0.00 0.00 175.76 175.67 1wjm h LYS 100 N -1.71 0.40 -3.90 0.00 2.10 -1.84 -3.47 116.57 108.14 1wjm h LYS 100 Ca -0.45 -0.68 -0.20 0.00 -2.00 0.00 0.00 60.65 57.32 1wjm h LYS 100 Cb 1.25 0.25 -0.07 0.00 -0.90 0.00 0.00 32.23 32.76 1wjm h LYS 100 CO 0.41 1.32 -0.12 -0.51 -2.00 0.00 0.00 179.45 178.55 1wjm s ASP 101 N -7.29 0.61 0.22 7.07 1.01 -1.26 -5.01 116.67 112.02 1wjm s ASP 101 Ca -0.15 -1.34 -0.08 0.00 0.71 0.00 0.00 52.55 51.69 1wjm s ASP 101 Cb 0.04 0.67 0.35 0.00 1.01 0.00 0.00 42.92 44.99 1wjm s ASP 101 CO 0.86 -1.32 1.72 -0.33 0.21 0.00 0.00 175.17 176.31 1wjm h GLU 102 N 2.13 0.34 0.13 8.23 5.08 -1.94 -0.89 114.58 127.65 1wjm h GLU 102 Ca -0.29 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1wjm h GLU 102 Cb 1.24 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1wjm h GLU 102 CO 0.39 0.22 -0.13 0.00 -1.00 0.00 0.00 179.01 178.49 1wjm h ALA 103 N 1.49 -0.85 -0.97 3.43 0.00 -1.98 0.55 119.26 120.94 1wjm h ALA 103 Ca 0.35 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.46 1wjm h ALA 103 Cb 0.51 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 18.48 1wjm h ALA 103 CO -0.39 -0.86 -0.02 -1.91 0.00 0.00 0.00 179.25 176.07 1wjm n GLU 104 N -3.07 -0.08 0.06 0.00 4.07 -1.01 0.69 120.64 121.29 1wjm n GLU 104 Ca -0.03 1.46 -0.02 0.00 -0.06 0.00 0.00 57.16 58.51 1wjm n GLU 104 Cb 0.12 -2.30 -0.01 0.00 -0.06 0.00 0.00 31.44 29.18 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 -0.14 -0.92 5.31 4.05 -0.66 -0.84 114.93 121.72 1wjm h MET 105 Ca 0.57 0.01 0.23 0.00 -0.28 0.00 0.00 59.70 60.23 1wjm h MET 105 Cb 1.13 0.03 -0.17 0.00 -0.80 0.00 0.00 31.60 31.79 1wjm h MET 105 CO -0.93 -0.09 -0.04 0.77 0.23 0.00 0.00 176.91 176.85 1wjm h SER 106 N -0.17 -0.53 0.16 1.39 0.02 0.13 0.35 113.55 114.90 1wjm h SER 106 Ca -0.02 0.26 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1wjm h SER 106 Cb 0.11 0.47 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 1wjm h SER 106 CO 0.02 -0.30 -0.32 0.28 -1.14 0.00 0.00 176.83 175.38 1wjm h SER 107 N 0.03 -0.90 -0.22 3.07 0.02 0.28 0.68 113.55 116.51 1wjm h SER 107 Ca 0.52 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.59 1wjm h SER 107 Cb 0.98 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.82 1wjm h SER 107 CO -0.87 -0.41 -0.23 -0.50 -1.14 0.00 0.00 176.83 173.68 1wjm h TRP 108 N -0.56 -0.70 -0.84 3.45 4.06 0.12 0.93 115.95 122.40 1wjm h TRP 108 Ca 0.02 0.04 0.15 0.00 2.06 0.00 0.00 58.89 61.16 1wjm h TRP 108 Cb 0.58 0.34 -0.15 0.00 -1.00 0.00 0.00 29.16 28.92 1wjm h TRP 108 CO -0.27 -0.19 -0.30 -0.07 -3.56 0.00 0.00 178.44 174.06 1wjm h LEU 109 N -0.12 -1.09 -1.34 -4.49 -0.00 -1.04 2.32 115.31 109.55 1wjm h LEU 109 Ca 0.04 0.27 0.11 0.00 -0.00 0.00 0.00 57.88 58.30 1wjm h LEU 109 Cb 0.22 0.61 -0.06 0.00 -0.00 0.00 0.00 40.66 41.44 1wjm h LEU 109 CO -0.27 -0.29 0.53 -0.09 -0.00 0.00 0.00 178.44 178.32 1wjm h ARG 110 N -0.04 0.69 0.11 1.13 2.43 0.17 0.81 114.38 119.67 1wjm h ARG 110 Ca 0.35 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1wjm h ARG 110 Cb 0.60 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1wjm h ARG 110 CO -0.87 0.45 -0.05 0.28 -1.51 0.00 0.00 179.97 178.27 1wjm h VAL 111 N 0.71 0.31 -0.97 0.20 2.07 0.96 -1.16 116.25 118.37 1wjm h VAL 111 Ca 0.39 -1.09 0.23 0.00 0.82 0.00 0.00 66.70 67.05 1wjm h VAL 111 Cb 0.54 0.57 -0.12 0.00 -1.52 0.00 0.00 31.29 30.75 1wjm h VAL 111 CO -0.16 0.10 0.55 0.58 0.02 0.00 0.00 177.57 178.66 1wjm h VAL 112 N -1.02 0.54 -0.28 2.57 2.07 0.34 0.91 116.25 121.39 1wjm h VAL 112 Ca -0.01 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.16 1wjm h VAL 112 Cb 0.27 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1wjm h VAL 112 CO 0.02 0.10 -0.44 0.78 0.02 0.00 0.00 177.57 178.06 1wjm h ASN 113 N 0.56 0.75 0.81 0.57 2.35 0.56 0.27 115.58 121.46 1wjm h ASN 113 Ca 0.62 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1wjm h ASN 113 Cb 1.14 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1wjm h ASN 113 CO -0.48 1.08 0.00 0.00 -1.65 0.00 0.00 177.43 176.39 1wjm h ALA 114 N 0.95 1.00 0.02 -0.83 0.00 0.19 -2.21 119.26 118.38 1wjm h ALA 114 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 1wjm h ALA 114 Cb 0.98 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1wjm h ALA 114 CO 0.09 0.00 -1.78 0.00 0.00 0.00 0.00 179.25 177.57 1wjm n ALA 115 N -1.85 0.94 0.14 0.00 0.00 0.17 -3.22 120.51 116.69 1wjm n ALA 115 Ca 0.02 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.63 1wjm n ALA 115 Cb 0.25 -0.40 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.73 0.00 0.31 0.00 2.04 -0.34 -2.93 117.51 115.86 1wjm h ILE 116 Ca -0.46 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1wjm h ILE 116 Cb 1.56 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1wjm h ILE 116 CO -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 178.15 177.50 1wjm h ALA 117 N -0.81 -1.04 -1.05 1.87 0.00 -1.62 -3.38 119.26 113.22 1wjm h ALA 117 Ca -0.02 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 54.26 1wjm h ALA 117 Cb 0.67 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1wjm h ALA 117 CO -0.18 -1.11 1.67 0.43 0.00 0.00 0.00 179.25 180.06 1wjm n SER 118 N -5.14 1.64 -3.66 0.00 7.64 -1.11 -4.78 113.62 108.21 1wjm n SER 118 Ca -0.09 -0.24 -0.47 0.00 1.01 0.00 0.00 58.87 59.08 1wjm n SER 118 Cb 0.39 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 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 6.20 -0.36 3.79 0.23 0.00 -1.26 -4.78 105.19 109.01 1wjm n GLY 119 Ca 0.47 0.58 -0.29 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.09 1.31 -0.42 1.61 0.04 -1.26 -4.90 135.00 131.28 1wjm s PRO 120 Ca 0.72 0.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.11 1wjm s PRO 120 Cb -1.00 -1.85 0.20 0.00 0.04 0.00 0.00 34.50 31.88 1wjm s PRO 120 CO 0.46 -2.10 0.90 -1.54 0.04 0.00 0.00 177.00 174.77 1wjm s SER 121 N -4.01 -0.88 0.46 6.66 1.04 -1.20 -5.06 113.70 110.71 1wjm s SER 121 Ca 0.63 -0.93 -0.21 0.00 0.48 0.00 0.00 55.95 55.92 1wjm s SER 121 Cb -0.15 1.15 -0.12 0.00 0.10 0.00 0.00 66.02 67.00 1wjm s SER 121 CO 0.53 -0.04 0.47 -0.24 0.98 0.00 0.00 173.24 174.94 1wjm n SER 122 N 3.01 -1.23 -0.66 7.02 2.88 -1.26 -4.99 113.62 118.40 1wjm n SER 122 Ca 0.14 0.85 0.08 0.00 -1.33 0.00 0.00 58.87 58.60 1wjm n SER 122 Cb 0.60 -1.10 0.07 0.00 -0.75 0.00 0.00 64.21 63.04 1wjm n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42