#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 6.34 0.03 1.61 0.15 -1.26 -4.91 113.70 115.66 1wjm s SER 2 Ca 0.00 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1wjm s SER 2 Cb 0.00 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1wjm s SER 2 CO 0.00 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 1wjm n SER 3 N -1.33 -0.28 0.00 5.45 7.64 -1.26 -5.14 113.62 118.70 1wjm n SER 3 Ca -0.05 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1wjm n SER 3 Cb 0.55 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1wjm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 4 N -1.04 0.97 3.56 0.23 0.00 -1.26 -4.81 105.19 102.84 1wjm n GLY 4 Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1wjm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wjm n SER 5 N 5.09 2.62 0.00 1.61 7.64 -1.26 -4.68 113.62 124.64 1wjm n SER 5 Ca 0.00 -0.21 -0.03 0.00 1.01 0.00 0.00 58.87 59.64 1wjm n SER 5 Cb 0.00 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 61.64 1wjm n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wjm n SER 6 N 14.09 0.69 0.00 6.43 7.64 -1.26 -5.14 113.62 136.07 1wjm n SER 6 Ca 0.35 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1wjm n SER 6 Cb 0.49 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wjm n GLY 7 N 2.94 3.06 3.50 0.23 0.00 -1.26 -5.07 105.19 108.58 1wjm n GLY 7 Ca -0.05 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 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 1.58 3.21 0.25 1.61 8.01 -1.26 -5.02 118.70 127.08 1wjm s GLU 8 Ca 0.00 -0.51 0.05 0.00 0.01 0.00 0.00 54.97 54.52 1wjm s GLU 8 Cb 0.00 -4.15 -0.03 0.00 -4.31 0.00 0.00 34.13 25.64 1wjm s GLU 8 CO 0.00 -1.76 0.37 1.14 0.01 0.00 0.00 175.26 175.03 1wjm s GLN 9 N 4.33 3.41 -0.29 1.61 1.03 -1.26 -4.61 119.66 123.89 1wjm s GLN 9 Ca 0.28 -0.77 -0.16 0.00 0.04 0.00 0.00 55.36 54.74 1wjm s GLN 9 Cb -0.14 -2.88 0.12 0.00 0.03 0.00 0.00 33.01 30.15 1wjm s GLN 9 CO 0.14 0.40 0.88 1.41 -2.54 0.00 0.00 175.29 175.58 1wjm s MET 10 N -4.00 0.49 -0.07 9.60 1.75 -1.16 -5.01 119.30 120.90 1wjm s MET 10 Ca 0.35 0.86 -0.04 0.00 -1.25 0.00 0.00 55.69 55.61 1wjm s MET 10 Cb -0.09 0.12 0.03 0.00 2.84 0.00 0.00 34.83 37.73 1wjm s MET 10 CO 0.29 -0.11 0.17 -1.83 -0.65 0.00 0.00 175.02 172.90 1wjm s GLU 11 N 1.50 0.14 0.05 4.11 -1.05 -1.26 0.24 118.70 122.43 1wjm s GLU 11 Ca -0.09 0.36 -0.28 0.00 -0.15 0.00 0.00 54.97 54.81 1wjm s GLU 11 Cb -0.04 -0.09 0.10 0.00 -0.44 0.00 0.00 34.13 33.65 1wjm s GLU 11 CO -0.17 -0.12 1.16 0.20 0.95 0.00 0.00 175.26 177.28 1wjm s GLY 12 N 0.87 -0.30 -0.12 -3.83 0.00 -0.45 -5.00 107.32 98.49 1wjm s GLY 12 Ca -0.07 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.75 1wjm s GLY 12 CO -0.05 0.61 1.37 1.06 0.00 0.00 0.00 173.10 176.09 1wjm s MET 13 N -2.66 4.23 0.04 2.90 -1.94 -1.26 -1.32 119.30 119.29 1wjm s MET 13 Ca 0.15 1.81 -0.01 0.00 -1.71 0.00 0.00 55.69 55.93 1wjm s MET 13 Cb 0.02 -3.81 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 1wjm s MET 13 CO -0.01 -0.73 -0.01 -0.51 -0.01 0.00 0.00 175.02 173.75 1wjm s LEU 14 N 3.54 2.28 -0.71 -0.03 1.02 -0.96 -4.68 118.68 119.14 1wjm s LEU 14 Ca 0.60 -0.74 -0.17 0.00 0.02 0.00 0.00 54.13 53.84 1wjm s LEU 14 Cb -0.25 0.23 0.14 0.00 0.02 0.00 0.00 46.19 46.33 1wjm s LEU 14 CO 0.19 -0.47 0.78 0.00 0.02 0.00 0.00 176.35 176.87 1wjm s ARG 16 N 1.90 4.10 -0.42 0.00 3.52 -1.02 -3.03 118.95 124.01 1wjm s ARG 16 Ca 0.16 0.70 0.03 0.00 -0.13 0.00 0.00 55.73 56.49 1wjm s ARG 16 Cb -0.17 -3.67 0.12 0.00 -1.56 0.00 0.00 34.95 29.67 1wjm s ARG 16 CO -0.01 -0.51 0.16 0.21 -0.81 0.00 0.00 175.30 174.34 1wjm s LYS 17 N 2.72 1.55 -0.24 5.12 2.20 -0.45 -3.75 119.74 126.89 1wjm s LYS 17 Ca 0.31 -2.08 -0.29 0.00 -0.36 0.00 0.00 55.97 53.55 1wjm s LYS 17 Cb -0.15 -2.99 -0.06 0.00 -1.51 0.00 0.00 37.83 33.13 1wjm s LYS 17 CO 0.09 -1.04 2.24 0.94 -0.36 0.00 0.00 175.35 177.22 1wjm n GLN 18 N 3.80 1.84 -0.09 4.03 7.27 -1.26 -2.16 117.38 130.81 1wjm n GLN 18 Ca 0.04 0.49 -0.15 0.00 0.07 0.00 0.00 57.00 57.45 1wjm n GLN 18 Cb 0.37 -3.19 -0.07 0.00 2.41 0.00 0.00 30.24 29.76 1wjm n GLN 18 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1wjm n GLU 19 N 8.74 0.52 -4.93 3.69 -0.58 0.55 -4.46 120.64 124.17 1wjm n GLU 19 Ca 0.31 0.54 -0.31 0.00 -0.42 0.00 0.00 57.16 57.28 1wjm n GLU 19 Cb 0.44 -1.71 -0.14 0.00 -0.57 0.00 0.00 31.44 29.45 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 2.12 -0.01 3.49 -1.94 -0.45 -2.52 119.30 117.66 1wjm s MET 20 Ca -0.24 -0.93 0.10 0.00 -1.71 0.00 0.00 55.69 52.90 1wjm s MET 20 Cb 0.05 -2.15 -0.13 0.00 2.01 0.00 0.00 34.83 34.61 1wjm s MET 20 CO 0.44 0.56 0.29 -1.91 -0.01 0.00 0.00 175.02 174.38 1wjm n GLU 21 N 1.99 1.82 -3.61 2.03 2.13 -0.90 -1.64 120.64 122.45 1wjm n GLU 21 Ca -0.16 -0.05 -0.04 0.00 0.66 0.00 0.00 57.16 57.56 1wjm n GLU 21 Cb 0.52 -1.11 -0.02 0.00 0.27 0.00 0.00 31.44 31.10 1wjm n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wjm s ALA 22 N -2.34 -1.89 -0.30 4.31 0.00 -0.31 -4.45 121.76 116.78 1wjm s ALA 22 Ca -0.01 0.80 -0.42 0.00 0.00 0.00 0.00 51.96 52.34 1wjm s ALA 22 Cb 0.07 0.38 -0.17 0.00 0.00 0.00 0.00 23.12 23.39 1wjm s ALA 22 CO 0.39 -0.84 1.65 1.19 0.00 0.00 0.00 175.76 178.16 1wjm n PHE 23 N -0.33 1.89 -1.37 0.00 3.72 -1.25 0.18 117.46 120.32 1wjm n PHE 23 Ca -0.06 0.72 -0.13 0.00 -0.05 0.00 0.00 57.45 57.93 1wjm n PHE 23 Cb 0.61 -2.38 -0.06 0.00 -0.94 0.00 0.00 39.48 36.72 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 3.93 1.27 3.41 1.37 0.00 -1.26 -4.91 105.19 109.00 1wjm n GLY 24 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.09 3.52 -0.02 1.61 2.36 0.49 -5.10 119.74 119.51 1wjm s LYS 25 Ca 0.00 -0.58 -0.16 0.00 -2.55 0.00 0.00 55.97 52.68 1wjm s LYS 25 Cb 0.00 -2.92 -0.05 0.00 -1.05 0.00 0.00 37.83 33.80 1wjm s LYS 25 CO 0.00 0.06 0.43 -1.59 1.55 0.00 0.00 175.35 175.80 1wjm s LYS 26 N 0.82 4.04 0.31 4.03 0.00 -1.26 -2.13 119.74 125.55 1wjm s LYS 26 Ca -0.01 0.43 -0.29 0.00 0.00 0.00 0.00 55.97 56.10 1wjm s LYS 26 Cb -0.15 -3.27 -0.10 0.00 0.00 0.00 0.00 37.83 34.31 1wjm s LYS 26 CO 0.02 0.56 1.18 0.00 0.00 0.00 0.00 175.35 177.11 1wjm s ALA 27 N -0.67 3.42 0.00 0.59 0.00 -1.05 -4.70 121.76 119.35 1wjm s ALA 27 Ca 0.24 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1wjm s ALA 27 Cb -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1wjm s ALA 27 CO 0.13 -0.37 0.56 0.00 0.00 0.00 0.00 175.76 176.08 1wjm n ALA 28 N 0.96 -0.00 -2.54 0.00 0.00 -1.26 -4.31 120.51 113.36 1wjm n ALA 28 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 1wjm n ALA 28 Cb 0.44 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 20.11 1wjm n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wjm s ASN 29 N -2.99 6.88 -0.43 0.00 4.22 -1.26 -4.99 114.94 116.36 1wjm s ASN 29 Ca 0.00 1.05 0.09 0.00 -2.14 0.00 0.00 52.86 51.86 1wjm s ASN 29 Cb 0.00 -2.33 0.40 0.00 1.28 0.00 0.00 41.25 40.60 1wjm s ASN 29 CO 0.00 0.12 0.97 0.54 -2.04 0.00 0.00 177.10 176.69 1wjm n ARG 30 N 2.76 2.42 -4.17 3.55 1.74 -1.26 -4.74 116.66 116.96 1wjm n ARG 30 Ca -0.08 -4.11 -0.22 0.00 -0.77 0.00 0.00 57.85 52.67 1wjm n ARG 30 Cb 0.51 -1.92 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 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 -3.23 5.19 0.03 0.55 0.01 -1.26 -4.97 113.70 110.02 1wjm s SER 31 Ca 0.42 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 1wjm s SER 31 Cb 0.38 -1.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 1wjm s SER 31 CO -0.10 -0.03 0.82 0.26 0.41 0.00 0.00 173.24 174.60 1wjm s TRP 32 N -2.20 3.71 -0.10 2.43 0.52 -1.26 -4.59 118.94 117.46 1wjm s TRP 32 Ca 0.32 1.52 -0.06 0.00 0.02 0.00 0.00 56.10 57.91 1wjm s TRP 32 Cb -0.07 -2.90 0.04 0.00 -1.15 0.00 0.00 33.47 29.38 1wjm s TRP 32 CO 0.23 0.19 0.24 -0.65 0.02 0.00 0.00 176.95 176.98 1wjm s GLN 33 N 0.25 0.22 -0.47 4.98 -0.21 -1.25 -5.05 119.66 118.14 1wjm s GLN 33 Ca 0.42 0.45 -0.27 0.00 0.02 0.00 0.00 55.36 55.98 1wjm s GLN 33 Cb -0.21 -0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.73 1wjm s GLN 33 CO 0.24 -0.12 2.02 0.54 -2.12 0.00 0.00 175.29 175.85 1wjm s ASN 34 N 0.87 5.25 -0.10 5.90 4.22 -1.26 -2.43 114.94 127.39 1wjm s ASN 34 Ca -0.06 0.94 0.04 0.00 -2.14 0.00 0.00 52.86 51.64 1wjm s ASN 34 Cb -0.07 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 39.94 1wjm s ASN 34 CO -0.05 -2.28 -0.23 -0.69 -2.04 0.00 0.00 177.10 171.81 1wjm s VAL 35 N 9.19 1.96 -0.44 3.54 1.01 0.73 -4.79 120.40 131.60 1wjm s VAL 35 Ca 0.82 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1wjm s VAL 35 Cb -0.18 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1wjm s VAL 35 CO 0.27 0.54 1.35 -0.47 0.00 0.00 0.00 175.10 176.79 1wjm s TYR 36 N 0.40 2.49 0.10 5.22 5.04 0.48 -2.27 117.35 128.81 1wjm s TYR 36 Ca -0.18 0.67 -0.30 0.00 -2.44 0.00 0.00 57.07 54.82 1wjm s TYR 36 Cb -0.18 -4.35 -0.06 0.00 0.35 0.00 0.00 41.96 37.72 1wjm s TYR 36 CO 0.08 -1.82 1.08 0.00 -1.34 0.00 0.00 175.55 173.55 1wjm s VAL 38 N 0.39 0.63 -0.11 0.00 1.01 0.48 -1.34 120.40 121.45 1wjm s VAL 38 Ca 0.52 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1wjm s VAL 38 Cb -0.27 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1wjm s VAL 38 CO 0.31 -0.42 0.22 -0.22 0.00 0.00 0.00 175.10 174.99 1wjm s LEU 39 N 1.78 4.37 -0.22 3.92 2.96 0.14 0.15 118.68 131.78 1wjm s LEU 39 Ca 0.03 0.56 -0.28 0.00 -0.22 0.00 0.00 54.13 54.22 1wjm s LEU 39 Cb -0.17 -2.23 0.14 0.00 0.50 0.00 0.00 46.19 44.43 1wjm s LEU 39 CO -0.17 0.33 1.07 -0.60 -1.32 0.00 0.00 176.35 175.67 1wjm s ARG 40 N -0.71 0.48 -0.34 1.98 6.06 -0.39 -3.00 118.95 123.04 1wjm s ARG 40 Ca 0.16 0.27 -0.01 0.00 -2.50 0.00 0.00 55.73 53.65 1wjm s ARG 40 Cb -0.13 0.23 0.01 0.00 0.06 0.00 0.00 34.95 35.12 1wjm s ARG 40 CO 0.05 -0.12 0.04 -2.13 -2.50 0.00 0.00 175.30 170.64 1wjm n ARG 41 N 1.23 -2.75 -2.61 5.12 0.63 -1.26 0.36 116.66 117.37 1wjm n ARG 41 Ca -0.10 0.15 -0.09 0.00 -0.92 0.00 0.00 57.85 56.90 1wjm n ARG 41 Cb 0.57 -4.68 0.04 0.00 0.45 0.00 0.00 32.46 28.84 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wjm n GLY 42 N -0.61 -0.09 3.53 5.14 0.00 -1.26 -4.12 105.19 107.78 1wjm n GLY 42 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.48 -0.85 -0.24 1.61 0.01 0.16 -3.71 113.70 107.20 1wjm s SER 43 Ca 0.12 1.37 -0.19 0.00 1.31 0.00 0.00 55.95 58.56 1wjm s SER 43 Cb -0.02 1.67 -0.03 0.00 0.21 0.00 0.00 66.02 67.86 1wjm s SER 43 CO 0.39 -0.22 0.55 -0.22 0.41 0.00 0.00 173.24 174.15 1wjm s LEU 44 N 2.29 4.09 0.19 2.44 2.96 -0.72 -1.26 118.68 128.67 1wjm s LEU 44 Ca -0.07 0.63 0.07 0.00 -0.22 0.00 0.00 54.13 54.54 1wjm s LEU 44 Cb -0.09 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1wjm s LEU 44 CO -0.17 -0.27 0.04 -0.83 -1.32 0.00 0.00 176.35 173.80 1wjm s GLY 45 N 1.39 1.69 -0.04 7.98 0.00 0.39 0.16 107.32 118.89 1wjm s GLY 45 Ca 0.24 -1.37 0.06 0.00 0.00 0.00 0.00 44.72 43.65 1wjm s GLY 45 CO 0.09 -1.39 -0.22 -1.36 0.00 0.00 0.00 173.10 170.22 1wjm s PHE 46 N -1.83 2.11 0.02 1.90 0.08 -1.26 -0.39 117.98 118.62 1wjm s PHE 46 Ca 0.29 -0.54 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 1wjm s PHE 46 Cb -0.09 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 1wjm s PHE 46 CO 0.20 -0.14 0.19 0.71 -0.10 0.00 0.00 175.22 176.08 1wjm s TYR 47 N -0.25 0.03 0.18 0.36 1.51 -0.95 -2.33 117.35 115.90 1wjm s TYR 47 Ca 0.01 -0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 55.62 1wjm s TYR 47 Cb -0.11 -0.02 0.01 0.00 -0.11 0.00 0.00 41.96 41.72 1wjm s TYR 47 CO 0.02 -0.38 1.54 -0.22 -1.11 0.00 0.00 175.55 175.40 1wjm h LYS 48 N 3.76 -0.03 0.00 -0.62 3.64 -1.89 0.14 116.57 121.57 1wjm h LYS 48 Ca -0.31 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1wjm h LYS 48 Cb 1.19 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1wjm h LYS 48 CO 0.45 -0.02 0.12 -0.25 -2.27 0.00 0.00 179.45 177.48 1wjm n ASP 49 N -5.32 -0.76 0.10 4.20 9.92 -1.26 -4.09 116.55 119.34 1wjm n ASP 49 Ca 0.04 -1.50 0.08 0.00 -0.53 0.00 0.00 54.79 52.88 1wjm n ASP 49 Cb 0.30 1.25 0.39 0.00 -0.64 0.00 0.00 41.12 42.43 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 -2.17 1.27 0.22 2.24 0.00 -1.26 -0.04 120.51 120.77 1wjm n ALA 50 Ca -0.06 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1wjm n ALA 50 Cb 0.21 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 6.56 -1.97 -3.19 116.57 117.96 1wjm h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wjm h LYS 51 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1wjm h LYS 51 CO 0.00 0.00 -1.53 0.00 -2.06 0.00 0.00 179.45 175.86 1wjm n ALA 52 N -2.09 3.14 0.02 3.86 0.00 0.94 -3.74 120.51 122.64 1wjm n ALA 52 Ca 0.02 -0.47 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 1wjm n ALA 52 Cb 0.52 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 1wjm n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjm h ALA 53 N 2.24 0.34 -0.39 0.00 0.00 -1.24 1.45 119.26 121.67 1wjm h ALA 53 Ca 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 54.91 54.12 1wjm h ALA 53 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1wjm h ALA 53 CO 0.00 0.72 -0.35 1.03 0.00 0.00 0.00 179.25 180.65 1wjm h SER 54 N 0.42 0.97 0.71 0.00 0.87 -1.71 -2.47 113.55 112.35 1wjm h SER 54 Ca -0.07 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1wjm h SER 54 Cb 1.47 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1wjm h SER 54 CO 0.16 1.23 -0.06 0.00 -0.53 0.00 0.00 176.83 177.63 1wjm n ALA 55 N -2.53 2.56 -3.25 6.23 0.00 -1.21 -4.92 120.51 117.39 1wjm n ALA 55 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 1wjm n ALA 55 Cb 0.52 -1.42 0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 1.39 -0.26 3.34 0.00 0.00 0.33 -4.98 105.19 105.03 1wjm n GLY 56 Ca 0.11 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.31 4.72 0.02 1.61 1.01 0.47 -5.00 120.40 119.92 1wjm s VAL 57 Ca 0.02 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 1wjm s VAL 57 Cb -0.01 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1wjm s VAL 57 CO 0.63 -0.46 1.18 -2.16 0.00 0.00 0.00 175.10 174.29 1wjm s PRO 58 N 1.54 4.42 -0.33 2.72 0.04 -1.26 -4.08 135.00 138.05 1wjm s PRO 58 Ca 0.03 1.71 -0.39 0.00 0.04 0.00 0.00 61.00 62.40 1wjm s PRO 58 Cb -0.22 -3.42 -0.15 0.00 0.04 0.00 0.00 34.50 30.75 1wjm s PRO 58 CO 0.05 -0.29 1.94 0.98 0.04 0.00 0.00 177.00 179.72 1wjm n TYR 59 N 4.28 1.80 -1.56 0.56 9.36 -0.98 0.13 117.16 130.74 1wjm n TYR 59 Ca 0.09 0.48 -0.11 0.00 3.32 0.00 0.00 57.90 61.68 1wjm n TYR 59 Cb 0.47 -2.46 -0.04 0.00 -0.63 0.00 0.00 39.34 36.68 1wjm n TYR 59 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1wjm n HIS 60 N 7.12 -0.68 -2.34 2.98 8.25 -1.26 0.14 115.22 129.42 1wjm n HIS 60 Ca 0.35 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.76 1wjm n HIS 60 Cb 0.14 -2.39 0.01 0.00 1.12 0.00 0.00 29.99 28.87 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 -0.33 0.36 3.70 -1.41 0.00 0.34 -5.01 105.19 102.84 1wjm n GLY 61 Ca -0.12 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.64 4.38 0.79 1.61 2.02 0.36 -5.00 118.70 118.23 1wjm s GLU 62 Ca 0.05 0.93 -0.11 0.00 0.02 0.00 0.00 54.97 55.87 1wjm s GLU 62 Cb -0.02 -3.50 0.09 0.00 0.10 0.00 0.00 34.13 30.80 1wjm s GLU 62 CO 0.06 -0.09 1.14 0.14 0.02 0.00 0.00 175.26 176.53 1wjm s VAL 63 N 1.33 2.08 0.43 2.63 -7.23 -1.26 -4.32 120.40 114.06 1wjm s VAL 63 Ca 0.38 -0.09 -0.23 0.00 -1.81 0.00 0.00 61.98 60.23 1wjm s VAL 63 Cb -0.17 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.69 1wjm s VAL 63 CO 0.16 0.00 1.05 -2.16 -0.31 0.00 0.00 175.10 173.84 1wjm s PRO 64 N -5.50 4.05 -0.17 4.82 0.04 -1.26 -4.61 135.00 132.37 1wjm s PRO 64 Ca 0.63 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.94 1wjm s PRO 64 Cb -0.10 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1wjm s PRO 64 CO 0.48 -0.24 0.58 0.14 0.04 0.00 0.00 177.00 178.00 1wjm s VAL 65 N -1.75 5.08 0.05 -0.36 -7.23 0.43 -4.82 120.40 111.81 1wjm s VAL 65 Ca 0.61 1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 61.58 1wjm s VAL 65 Cb -0.21 -3.90 -0.07 0.00 0.56 0.00 0.00 36.38 32.76 1wjm s VAL 65 CO 0.26 0.18 1.43 -0.94 -0.31 0.00 0.00 175.10 175.72 1wjm s SER 66 N 1.03 6.80 -0.34 4.85 1.04 -1.26 -1.76 113.70 124.07 1wjm s SER 66 Ca 0.28 2.25 -0.02 0.00 0.48 0.00 0.00 55.95 58.94 1wjm s SER 66 Cb -0.16 -2.57 0.18 0.00 0.10 0.00 0.00 66.02 63.57 1wjm s SER 66 CO 0.11 -0.72 2.19 0.18 0.98 0.00 0.00 173.24 175.98 1wjm n LEU 67 N 4.85 6.45 -4.58 2.42 4.77 -1.24 -4.83 117.00 124.84 1wjm n LEU 67 Ca 0.13 -3.44 -0.43 0.00 -0.03 0.00 0.00 56.01 52.24 1wjm n LEU 67 Cb 0.43 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 1wjm n LEU 67 CO 0.59 1.33 0.75 0.00 -1.33 0.00 0.00 177.39 178.73 1wjm s ALA 68 N -1.75 3.28 -0.92 -1.18 0.00 -1.26 -3.40 121.76 116.54 1wjm s ALA 68 Ca 0.37 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1wjm s ALA 68 Cb 0.27 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1wjm s ALA 68 CO -0.04 -1.93 0.00 0.54 0.00 0.00 0.00 175.76 174.33 1wjm n ARG 69 N 7.06 -0.75 -2.08 0.00 1.74 -1.26 -4.53 116.66 116.83 1wjm n ARG 69 Ca 0.06 0.76 -0.27 0.00 -0.77 0.00 0.00 57.85 57.63 1wjm n ARG 69 Cb 0.48 -4.66 0.10 0.00 -1.02 0.00 0.00 32.46 27.36 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 -2.24 2.84 -0.15 7.54 0.00 -1.22 -4.15 121.76 124.39 1wjm s ALA 70 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 1wjm s ALA 70 Cb 0.00 -2.70 0.05 0.00 0.00 0.00 0.00 23.12 20.46 1wjm s ALA 70 CO 0.00 -1.68 0.36 -0.65 0.00 0.00 0.00 175.76 173.80 1wjm s GLN 71 N -5.48 0.37 -0.25 0.00 -0.21 0.31 -4.95 119.66 109.45 1wjm s GLN 71 Ca 0.64 0.63 -0.04 0.00 0.02 0.00 0.00 55.36 56.62 1wjm s GLN 71 Cb -0.09 0.05 0.01 0.00 1.00 0.00 0.00 33.01 33.98 1wjm s GLN 71 CO 0.48 -0.12 -0.02 0.20 -2.12 0.00 0.00 175.29 173.71 1wjm s GLY 72 N 0.92 1.66 0.24 3.09 0.00 -1.26 -0.39 107.32 111.57 1wjm s GLY 72 Ca -0.06 -1.36 0.10 0.00 0.00 0.00 0.00 44.72 43.40 1wjm s GLY 72 CO -0.07 0.52 -0.17 -0.45 0.00 0.00 0.00 173.10 172.92 1wjm s SER 73 N 1.42 3.09 0.37 1.64 0.15 -0.73 -4.97 113.70 114.66 1wjm s SER 73 Ca 0.03 -1.02 -0.10 0.00 0.70 0.00 0.00 55.95 55.56 1wjm s SER 73 Cb -0.16 -0.22 -0.06 0.00 -1.71 0.00 0.00 66.02 63.87 1wjm s SER 73 CO -0.03 -0.06 0.72 -0.69 1.20 0.00 0.00 173.24 174.39 1wjm s VAL 74 N -2.69 4.82 -0.81 4.45 1.01 -1.26 0.24 120.40 126.16 1wjm s VAL 74 Ca 0.26 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1wjm s VAL 74 Cb -0.03 -3.72 0.23 0.00 0.00 0.00 0.00 36.38 32.86 1wjm s VAL 74 CO 0.11 -0.44 0.79 0.00 0.00 0.00 0.00 175.10 175.55 1wjm n ALA 75 N -1.11 3.94 1.96 5.51 0.00 0.27 -4.56 120.51 126.51 1wjm n ALA 75 Ca 0.02 -4.65 0.09 0.00 0.00 0.00 0.00 53.44 48.90 1wjm n ALA 75 Cb 0.54 -1.42 0.54 0.00 0.00 0.00 0.00 19.45 19.11 1wjm n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wjm n PHE 76 N 1.75 0.00 -2.64 0.00 3.72 -1.26 -3.39 117.46 115.64 1wjm n PHE 76 Ca 0.24 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 1wjm n PHE 76 Cb 0.37 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1wjm n PHE 76 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1wjm n ASP 77 N -0.79 2.10 -0.05 4.37 5.75 -1.26 -4.81 116.55 121.85 1wjm n ASP 77 Ca 0.14 -2.93 -0.05 0.00 -0.01 0.00 0.00 54.79 51.94 1wjm n ASP 77 Cb 0.06 -0.52 -0.09 0.00 -1.03 0.00 0.00 41.12 39.55 1wjm n ASP 77 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wjm n TYR 78 N -0.14 0.00 -1.43 2.11 9.36 -1.22 -5.12 117.16 120.73 1wjm n TYR 78 Ca 0.16 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.57 1wjm n TYR 78 Cb 0.78 -0.54 -0.05 0.00 -0.63 0.00 0.00 39.34 38.91 1wjm n TYR 78 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1wjm n ARG 79 N -2.41 -2.90 0.00 2.98 0.63 -1.26 -4.76 116.66 108.94 1wjm n ARG 79 Ca -0.18 1.93 0.00 0.00 -0.92 0.00 0.00 57.85 58.68 1wjm n ARG 79 Cb 0.85 -3.53 0.00 0.00 0.45 0.00 0.00 32.46 30.24 1wjm n ARG 79 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1wjm n LYS 80 N -4.22 0.00 -2.84 -0.14 4.76 -1.26 -4.76 118.16 109.70 1wjm n LYS 80 Ca 0.01 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.29 1wjm n LYS 80 Cb 0.65 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.85 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 0.00 0.94 -4.22 1.97 5.12 -1.26 -5.15 116.66 114.06 1wjm n ARG 81 Ca 0.00 -2.13 -0.13 0.00 -1.93 0.00 0.00 57.85 53.66 1wjm n ARG 81 Cb 0.00 0.17 -0.10 0.00 -1.16 0.00 0.00 32.46 31.37 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 -3.46 0.96 -0.95 5.56 1.02 -1.26 -4.89 119.74 116.73 1wjm s LYS 82 Ca 0.23 -1.38 -0.09 0.00 0.02 0.00 0.00 55.97 54.76 1wjm s LYS 82 Cb -0.02 -0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 36.79 1wjm s LYS 82 CO 0.14 0.05 0.76 0.72 -0.92 0.00 0.00 175.35 176.10 1wjm n HIS 83 N -0.05 -2.36 -4.64 3.18 8.25 -1.26 -4.67 115.22 113.67 1wjm n HIS 83 Ca -0.12 0.79 -0.23 0.00 -0.26 0.00 0.00 57.72 57.91 1wjm n HIS 83 Cb 0.60 -3.65 -0.16 0.00 1.12 0.00 0.00 29.99 27.91 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 -3.23 1.14 -0.01 1.59 1.01 -1.26 -1.46 120.40 118.18 1wjm s VAL 84 Ca 0.25 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1wjm s VAL 84 Cb -0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1wjm s VAL 84 CO 0.81 0.33 -0.17 0.72 0.00 0.00 0.00 175.10 176.80 1wjm s PHE 85 N 0.01 1.51 -0.29 5.22 -0.71 -0.71 0.98 117.98 123.99 1wjm s PHE 85 Ca -0.01 -0.29 -0.19 0.00 -1.04 0.00 0.00 56.93 55.40 1wjm s PHE 85 Cb -0.09 -0.97 -0.02 0.00 -1.21 0.00 0.00 43.02 40.73 1wjm s PHE 85 CO 0.01 -0.03 0.55 0.21 -1.34 0.00 0.00 175.22 174.62 1wjm s LYS 86 N -0.39 3.95 -0.63 1.99 2.20 0.14 -2.45 119.74 124.55 1wjm s LYS 86 Ca 0.06 0.25 -0.19 0.00 -0.36 0.00 0.00 55.97 55.74 1wjm s LYS 86 Cb -0.07 -3.70 0.11 0.00 -1.51 0.00 0.00 37.83 32.67 1wjm s LYS 86 CO -0.01 -0.46 0.74 -1.17 -0.36 0.00 0.00 175.35 174.09 1wjm s LEU 87 N 2.41 5.46 -0.37 5.43 2.96 -0.31 -1.77 118.68 132.50 1wjm s LEU 87 Ca 0.22 -1.57 -0.15 0.00 -0.22 0.00 0.00 54.13 52.41 1wjm s LEU 87 Cb -0.15 -2.30 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 1wjm s LEU 87 CO 0.10 -1.08 0.35 -0.83 -1.32 0.00 0.00 176.35 173.58 1wjm s GLY 88 N 3.53 1.92 0.00 7.98 0.00 0.48 -1.27 107.32 119.96 1wjm s GLY 88 Ca 0.13 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1wjm s GLY 88 CO 0.04 0.99 0.00 1.04 0.00 0.00 0.00 173.10 175.17 1wjm n LEU 89 N 5.36 0.00 -1.14 0.66 4.77 0.10 0.11 117.00 126.87 1wjm n LEU 89 Ca -0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.87 1wjm n LEU 89 Cb 0.49 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.68 1wjm n LEU 89 CO 0.41 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.05 1wjm n GLN 90 N 0.00 1.96 0.00 3.23 10.64 -1.26 -3.76 117.38 128.19 1wjm n GLN 90 Ca 0.00 -1.03 0.00 0.00 -1.83 0.00 0.00 57.00 54.14 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 0.11 0.00 -0.63 2.61 -0.08 -1.26 -4.80 116.55 112.50 1wjm n ASP 91 Ca 0.13 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.47 1wjm n ASP 91 Cb 0.69 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.31 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 -2.00 0.60 3.64 0.27 0.00 -1.26 -3.77 105.19 102.67 1wjm n GLY 92 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1wjm n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wjm s LYS 93 N -1.55 0.49 -0.07 1.61 2.20 -1.26 -1.17 119.74 120.00 1wjm s LYS 93 Ca 0.23 0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 56.64 1wjm s LYS 93 Cb 0.12 0.11 0.04 0.00 -1.51 0.00 0.00 37.83 36.59 1wjm s LYS 93 CO 0.16 -0.10 0.13 -2.00 -0.36 0.00 0.00 175.35 173.17 1wjm s GLU 94 N 1.36 -0.00 0.35 4.03 2.12 -0.65 0.02 118.70 125.92 1wjm s GLU 94 Ca -0.09 0.49 0.09 0.00 0.36 0.00 0.00 54.97 55.82 1wjm s GLU 94 Cb -0.04 -0.39 -0.05 0.00 0.26 0.00 0.00 34.13 33.91 1wjm s GLU 94 CO -0.16 -0.33 0.03 0.71 -0.54 0.00 0.00 175.26 174.98 1wjm s TYR 95 N 2.25 2.55 -0.23 5.30 1.51 -0.40 -0.33 117.35 128.00 1wjm s TYR 95 Ca 0.04 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1wjm s TYR 95 Cb -0.12 -1.55 0.07 0.00 -0.11 0.00 0.00 41.96 40.25 1wjm s TYR 95 CO -0.05 0.45 0.00 -0.51 -1.11 0.00 0.00 175.55 174.33 1wjm s LEU 96 N -3.73 2.10 -0.09 -1.29 1.43 -0.92 -1.16 118.68 115.01 1wjm s LEU 96 Ca 0.35 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1wjm s LEU 96 Cb 0.01 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.25 1wjm s LEU 96 CO 0.20 -0.29 -0.01 -0.36 0.23 0.00 0.00 176.35 176.12 1wjm s PHE 97 N 1.57 3.12 -0.41 0.29 0.08 -1.02 -1.34 117.98 120.28 1wjm s PHE 97 Ca -0.02 0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.14 1wjm s PHE 97 Cb -0.18 -1.80 0.11 0.00 -0.57 0.00 0.00 43.02 40.58 1wjm s PHE 97 CO -0.09 0.40 0.20 -1.14 -0.10 0.00 0.00 175.22 174.49 1wjm s GLN 98 N -0.74 1.97 1.33 0.44 0.74 -1.17 -1.73 119.66 120.50 1wjm s GLN 98 Ca 0.11 -1.83 -0.19 0.00 0.05 0.00 0.00 55.36 53.51 1wjm s GLN 98 Cb -0.12 -3.57 0.32 0.00 1.10 0.00 0.00 33.01 30.75 1wjm s GLN 98 CO 0.02 -1.07 0.82 0.00 -0.55 0.00 0.00 175.29 174.51 1wjm n ALA 99 N 4.57 -4.06 0.12 1.58 0.00 -0.54 -3.84 120.51 118.34 1wjm n ALA 99 Ca -0.02 -1.60 0.05 0.00 0.00 0.00 0.00 53.44 51.87 1wjm n ALA 99 Cb 0.41 -1.66 0.02 0.00 0.00 0.00 0.00 19.45 18.22 1wjm n ALA 99 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1wjm h LYS 100 N -3.18 0.00 0.00 0.00 2.10 -1.84 -3.47 116.57 110.19 1wjm h LYS 100 Ca -0.48 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.30 1wjm h LYS 100 Cb 1.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.60 1wjm h LYS 100 CO 0.33 0.27 0.43 -0.25 -2.00 0.00 0.00 179.45 178.24 1wjm n ASP 101 N -3.02 -1.09 -0.33 7.07 8.00 -1.26 -4.99 116.55 120.93 1wjm n ASP 101 Ca -0.01 -1.52 0.05 0.00 0.71 0.00 0.00 54.79 54.01 1wjm n ASP 101 Cb 0.69 1.76 0.23 0.00 -0.02 0.00 0.00 41.12 43.79 1wjm n ASP 101 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wjm h GLU 102 N 0.00 1.00 0.00 -1.24 4.39 -1.94 0.08 114.58 116.88 1wjm h GLU 102 Ca -0.17 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1wjm h GLU 102 Cb 0.79 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1wjm h GLU 102 CO 0.24 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 178.75 1wjm n ALA 103 N -2.38 -0.39 -0.33 3.43 0.00 -1.26 0.20 120.51 119.78 1wjm n ALA 103 Ca 0.15 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.81 1wjm n ALA 103 Cb 0.24 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.12 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 0.04 0.09 0.00 4.81 -1.92 0.58 114.58 118.19 1wjm h GLU 104 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1wjm h GLU 104 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1wjm h GLU 104 CO 0.00 0.03 -0.04 1.98 -0.73 0.00 0.00 179.01 180.24 1wjm h MET 105 N 0.04 -0.12 -0.71 1.92 4.05 -0.87 -0.80 114.93 118.45 1wjm h MET 105 Ca 0.70 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 60.27 1wjm h MET 105 Cb 1.66 0.03 -0.13 0.00 -0.80 0.00 0.00 31.60 32.35 1wjm h MET 105 CO -0.82 -0.08 -0.22 1.03 0.23 0.00 0.00 176.91 177.05 1wjm h SER 106 N -0.14 -0.80 -0.08 1.39 0.87 0.96 -0.12 113.55 115.64 1wjm h SER 106 Ca -0.01 0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1wjm h SER 106 Cb 0.09 0.49 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 1wjm h SER 106 CO 0.02 -0.26 -0.50 0.28 -0.53 0.00 0.00 176.83 175.84 1wjm h SER 107 N -0.03 -1.57 -0.40 6.23 0.02 0.10 0.29 113.55 118.18 1wjm h SER 107 Ca 0.33 0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.50 1wjm h SER 107 Cb 0.54 0.61 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 1wjm h SER 107 CO -0.74 -0.49 -0.32 -0.50 -1.14 0.00 0.00 176.83 173.64 1wjm h TRP 108 N -0.60 -1.02 -0.78 3.45 4.06 0.48 0.96 115.95 122.51 1wjm h TRP 108 Ca 0.04 0.06 0.15 0.00 2.06 0.00 0.00 58.89 61.20 1wjm h TRP 108 Cb 0.69 0.50 -0.15 0.00 -1.00 0.00 0.00 29.16 29.19 1wjm h TRP 108 CO -0.53 -0.24 -0.22 -0.07 -3.56 0.00 0.00 178.44 173.82 1wjm h LEU 109 N -0.11 -0.80 -1.51 -4.49 -0.00 -0.67 2.22 115.31 109.94 1wjm h LEU 109 Ca 0.07 0.24 0.07 0.00 -0.00 0.00 0.00 57.88 58.26 1wjm h LEU 109 Cb 0.28 0.51 -0.04 0.00 -0.00 0.00 0.00 40.66 41.41 1wjm h LEU 109 CO -0.43 -0.27 0.42 -0.09 -0.00 0.00 0.00 178.44 178.07 1wjm h ARG 110 N -0.02 0.57 0.06 1.13 2.43 0.34 0.46 114.38 119.35 1wjm h ARG 110 Ca 0.36 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1wjm h ARG 110 Cb 0.58 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1wjm h ARG 110 CO -0.81 0.38 -0.03 0.28 -1.51 0.00 0.00 179.97 178.28 1wjm h VAL 111 N 0.59 0.06 -1.05 0.20 2.07 0.92 -1.82 116.25 117.21 1wjm h VAL 111 Ca 0.28 -0.98 0.30 0.00 0.82 0.00 0.00 66.70 67.12 1wjm h VAL 111 Cb 0.35 0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 30.10 1wjm h VAL 111 CO -0.09 0.02 0.63 0.58 0.02 0.00 0.00 177.57 178.73 1wjm h VAL 112 N -1.02 0.40 -0.21 2.57 2.07 0.31 1.44 116.25 121.82 1wjm h VAL 112 Ca -0.01 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 1wjm h VAL 112 Cb 0.09 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1wjm h VAL 112 CO 0.01 0.07 -0.56 0.78 0.02 0.00 0.00 177.57 177.90 1wjm h ASN 113 N 0.39 0.71 0.71 0.57 2.35 -0.17 0.12 115.58 120.26 1wjm h ASN 113 Ca 0.68 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1wjm h ASN 113 Cb 1.60 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1wjm h ASN 113 CO -0.47 1.12 0.00 0.00 -1.65 0.00 0.00 177.43 176.42 1wjm h ALA 114 N 0.90 1.00 0.04 -0.83 0.00 0.27 -1.34 119.26 119.30 1wjm h ALA 114 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.60 1wjm h ALA 114 Cb 1.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1wjm h ALA 114 CO 0.11 0.00 -1.78 0.00 0.00 0.00 0.00 179.25 177.58 1wjm n ALA 115 N -1.93 0.92 0.27 0.00 0.00 0.84 -3.35 120.51 117.26 1wjm n ALA 115 Ca 0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 1wjm n ALA 115 Cb 0.23 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.57 0.00 -0.05 0.00 2.04 -0.53 0.76 117.51 119.16 1wjm h ILE 116 Ca -0.44 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1wjm h ILE 116 Cb 1.64 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1wjm h ILE 116 CO -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 178.15 177.65 1wjm h ALA 117 N -1.17 -0.78 -0.60 1.87 0.00 -1.47 -1.94 119.26 115.17 1wjm h ALA 117 Ca -0.06 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1wjm h ALA 117 Cb 0.71 0.85 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 1wjm h ALA 117 CO -0.01 -0.90 -0.37 1.03 0.00 0.00 0.00 179.25 179.00 1wjm h SER 118 N -0.43 -1.28 -4.91 0.00 0.87 -1.54 -3.48 113.55 102.79 1wjm h SER 118 Ca 0.02 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1wjm h SER 118 Cb 0.48 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1wjm h SER 118 CO -0.28 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 176.32 1wjm n GLY 119 N -1.43 1.64 3.06 5.77 0.00 0.26 -4.63 105.19 109.86 1wjm n GLY 119 Ca 0.03 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1wjm n GLY 119 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wjm n PRO 120 N 1.61 2.20 -2.22 1.61 -0.04 -1.26 -4.53 135.00 132.37 1wjm n PRO 120 Ca 0.00 -2.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.09 1wjm n PRO 120 Cb 0.00 -3.20 -0.02 0.00 -0.04 0.00 0.00 33.50 30.24 1wjm n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wjm n SER 121 N 7.75 -3.50 -4.89 3.54 2.88 -1.26 -5.00 113.62 113.14 1wjm n SER 121 Ca 0.50 1.20 -0.30 0.00 -1.33 0.00 0.00 58.87 58.94 1wjm n SER 121 Cb 0.41 -4.29 -0.04 0.00 -0.75 0.00 0.00 64.21 59.54 1wjm n SER 121 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wjm s SER 122 N -0.49 6.52 0.00 -3.46 1.04 -1.26 -5.20 113.70 110.85 1wjm s SER 122 Ca -0.14 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.17 1wjm s SER 122 Cb 0.01 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1wjm s SER 122 CO 0.37 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.00