#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 -0.89 0.16 1.61 0.15 -1.26 -0.92 113.70 112.55 1wjm s SER 2 Ca 0.00 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.38 1wjm s SER 2 Cb 0.00 1.82 0.00 0.00 -1.71 0.00 0.00 66.02 66.13 1wjm s SER 2 CO 0.00 -0.17 0.00 -0.24 1.20 0.00 0.00 173.24 174.03 1wjm n SER 3 N 5.36 -8.05 0.00 5.45 2.88 -1.26 -5.07 113.62 112.93 1wjm n SER 3 Ca -0.06 1.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1wjm n SER 3 Cb 0.52 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.46 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 1.63 -0.19 3.53 0.46 0.00 -1.26 -5.16 105.19 104.21 1wjm n GLY 4 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.68 -0.58 0.65 1.61 0.15 -1.26 -5.15 113.70 105.43 1wjm s SER 5 Ca 0.00 0.60 -0.17 0.00 0.70 0.00 0.00 55.95 57.08 1wjm s SER 5 Cb 0.00 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1wjm s SER 5 CO 0.00 -0.56 0.90 -0.24 1.20 0.00 0.00 173.24 174.54 1wjm n SER 6 N 0.79 0.42 0.00 5.45 2.88 -1.26 -5.01 113.62 116.89 1wjm n SER 6 Ca -0.17 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1wjm n SER 6 Cb 0.58 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1wjm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wjm n GLY 7 N 1.30 6.34 3.49 0.46 0.00 -1.26 -5.07 105.19 110.46 1wjm n GLY 7 Ca 0.13 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 1.28 3.42 0.03 1.61 8.01 -1.26 -4.99 118.70 126.79 1wjm s GLU 8 Ca 0.00 -1.15 0.01 0.00 0.01 0.00 0.00 54.97 53.84 1wjm s GLU 8 Cb 0.00 -4.77 -0.04 0.00 -4.31 0.00 0.00 34.13 25.01 1wjm s GLU 8 CO 0.00 -1.96 0.06 -0.65 0.01 0.00 0.00 175.26 172.73 1wjm s GLN 9 N 4.07 2.92 -0.10 1.61 -0.21 -1.26 -4.57 119.66 122.11 1wjm s GLN 9 Ca 0.34 -0.60 -0.06 0.00 0.02 0.00 0.00 55.36 55.07 1wjm s GLN 9 Cb -0.07 -2.76 0.04 0.00 1.00 0.00 0.00 33.01 31.22 1wjm s GLN 9 CO -0.02 0.61 0.24 1.41 -2.12 0.00 0.00 175.29 175.42 1wjm s MET 10 N -1.96 0.21 -0.08 2.91 1.75 -0.94 -4.98 119.30 116.21 1wjm s MET 10 Ca 0.25 0.50 -0.04 0.00 -1.25 0.00 0.00 55.69 55.14 1wjm s MET 10 Cb -0.12 -0.09 0.04 0.00 2.84 0.00 0.00 34.83 37.50 1wjm s MET 10 CO 0.16 -0.14 0.19 -1.83 -0.65 0.00 0.00 175.02 172.75 1wjm s GLU 11 N 1.10 0.15 -0.07 4.11 -1.05 -1.26 0.11 118.70 121.79 1wjm s GLU 11 Ca -0.08 0.41 -0.32 0.00 -0.15 0.00 0.00 54.97 54.84 1wjm s GLU 11 Cb -0.09 -0.12 0.12 0.00 -0.44 0.00 0.00 34.13 33.60 1wjm s GLU 11 CO -0.07 -0.14 1.13 0.20 0.95 0.00 0.00 175.26 177.32 1wjm s GLY 12 N 1.05 -0.35 -0.14 -3.83 0.00 -0.47 -5.00 107.32 98.58 1wjm s GLY 12 Ca -0.08 1.11 -0.29 0.00 0.00 0.00 0.00 44.72 45.45 1wjm s GLY 12 CO -0.06 0.34 1.75 1.06 0.00 0.00 0.00 173.10 176.18 1wjm s MET 13 N -2.68 3.88 0.06 2.90 -1.94 -1.26 -1.88 119.30 118.38 1wjm s MET 13 Ca 0.10 1.99 0.03 0.00 -1.71 0.00 0.00 55.69 56.09 1wjm s MET 13 Cb 0.00 -4.08 -0.03 0.00 2.01 0.00 0.00 34.83 32.73 1wjm s MET 13 CO -0.05 -1.21 -0.09 -0.51 -0.01 0.00 0.00 175.02 173.16 1wjm s LEU 14 N 5.12 2.32 -0.73 -0.03 1.02 -0.97 -4.78 118.68 120.64 1wjm s LEU 14 Ca 0.78 -0.67 -0.20 0.00 0.02 0.00 0.00 54.13 54.06 1wjm s LEU 14 Cb -0.31 -0.21 0.11 0.00 0.02 0.00 0.00 46.19 45.80 1wjm s LEU 14 CO 0.32 -0.24 0.91 0.00 0.02 0.00 0.00 176.35 177.36 1wjm s ARG 16 N 2.94 4.10 -0.37 0.00 3.52 -0.76 -3.29 118.95 125.09 1wjm s ARG 16 Ca 0.21 0.64 0.02 0.00 -0.13 0.00 0.00 55.73 56.48 1wjm s ARG 16 Cb -0.15 -3.66 0.11 0.00 -1.56 0.00 0.00 34.95 29.68 1wjm s ARG 16 CO 0.02 -0.48 0.12 0.21 -0.81 0.00 0.00 175.30 174.35 1wjm s LYS 17 N 2.65 1.33 0.08 5.12 2.20 -0.06 -3.56 119.74 127.50 1wjm s LYS 17 Ca 0.29 -1.79 -0.31 0.00 -0.36 0.00 0.00 55.97 53.80 1wjm s LYS 17 Cb -0.15 -2.80 -0.09 0.00 -1.51 0.00 0.00 37.83 33.28 1wjm s LYS 17 CO 0.09 -1.00 1.82 -1.14 -0.36 0.00 0.00 175.35 174.75 1wjm s GLN 18 N 0.85 4.15 -0.17 4.03 0.74 -1.26 -2.98 119.66 125.02 1wjm s GLN 18 Ca 0.12 2.53 -0.10 0.00 0.05 0.00 0.00 55.36 57.96 1wjm s GLN 18 Cb -0.20 -3.76 -0.07 0.00 1.10 0.00 0.00 33.01 30.07 1wjm s GLN 18 CO -0.10 -0.85 -0.24 0.39 -0.55 0.00 0.00 175.29 173.93 1wjm n GLU 19 N 6.22 0.39 -4.41 1.67 4.71 -1.10 -3.89 120.64 124.22 1wjm n GLU 19 Ca 0.18 0.17 -0.26 0.00 -0.01 0.00 0.00 57.16 57.24 1wjm n GLU 19 Cb 0.40 -1.16 -0.11 0.00 -1.01 0.00 0.00 31.44 29.56 1wjm n GLU 19 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1wjm s MET 20 N -2.39 1.49 -0.00 3.49 -1.94 -1.20 -2.33 119.30 116.41 1wjm s MET 20 Ca -0.25 -1.53 0.07 0.00 -1.71 0.00 0.00 55.69 52.28 1wjm s MET 20 Cb 0.09 -1.75 -0.08 0.00 2.01 0.00 0.00 34.83 35.10 1wjm s MET 20 CO 0.32 0.37 0.27 -1.91 -0.01 0.00 0.00 175.02 174.06 1wjm n GLU 21 N 0.20 3.97 0.00 2.03 2.13 -0.54 -3.01 120.64 125.41 1wjm n GLU 21 Ca -0.12 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1wjm n GLU 21 Cb 0.56 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.39 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 -1.26 0.00 -1.53 4.31 0.00 0.45 -4.44 120.51 118.04 1wjm n ALA 22 Ca 0.01 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.90 1wjm n ALA 22 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.20 1.74 -1.49 0.00 3.72 -1.23 0.18 117.46 120.18 1wjm n PHE 23 Ca 0.00 0.47 -0.17 0.00 -0.05 0.00 0.00 57.45 57.70 1wjm n PHE 23 Cb 0.00 -2.46 -0.07 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 5.65 1.63 3.53 1.37 0.00 -1.26 -4.94 105.19 111.17 1wjm n GLY 24 Ca 0.37 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.42 3.70 -0.16 1.61 2.47 0.48 -5.06 119.74 119.35 1wjm s LYS 25 Ca 0.00 -0.48 -0.24 0.00 -1.56 0.00 0.00 55.97 53.69 1wjm s LYS 25 Cb 0.00 -3.62 -0.02 0.00 -1.46 0.00 0.00 37.83 32.73 1wjm s LYS 25 CO 0.00 -0.28 0.76 -1.59 0.16 0.00 0.00 175.35 174.41 1wjm s LYS 26 N 1.70 4.29 0.45 4.03 -2.85 -1.26 -1.47 119.74 124.63 1wjm s LYS 26 Ca 0.06 0.90 -0.24 0.00 -1.00 0.00 0.00 55.97 55.69 1wjm s LYS 26 Cb -0.16 -3.56 -0.07 0.00 -2.06 0.00 0.00 37.83 31.97 1wjm s LYS 26 CO 0.09 -0.26 1.22 0.00 0.10 0.00 0.00 175.35 176.50 1wjm s ALA 27 N 1.92 3.04 0.00 0.59 0.00 -0.98 -4.71 121.76 121.61 1wjm s ALA 27 Ca 0.36 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1wjm s ALA 27 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1wjm s ALA 27 CO 0.13 -0.77 0.61 0.00 0.00 0.00 0.00 175.76 175.73 1wjm n ALA 28 N -0.33 -0.09 -2.69 0.00 0.00 -1.26 -4.57 120.51 111.57 1wjm n ALA 28 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.13 1wjm n ALA 28 Cb 0.46 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.19 6.45 -0.47 0.00 4.22 -1.26 -4.99 114.94 116.69 1wjm s ASN 29 Ca 0.00 0.53 0.08 0.00 -2.14 0.00 0.00 52.86 51.33 1wjm s ASN 29 Cb 0.00 -2.22 0.33 0.00 1.28 0.00 0.00 41.25 40.64 1wjm s ASN 29 CO 0.00 -0.02 0.80 0.54 -2.04 0.00 0.00 177.10 176.38 1wjm n ARG 30 N 4.15 1.95 -4.23 3.55 1.74 -1.25 -4.57 116.66 118.00 1wjm n ARG 30 Ca -0.09 -4.04 -0.24 0.00 -0.77 0.00 0.00 57.85 52.71 1wjm n ARG 30 Cb 0.51 -1.91 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 1wjm n ARG 30 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wjm s SER 31 N -2.72 4.84 -0.07 0.55 1.04 -1.26 -4.86 113.70 111.21 1wjm s SER 31 Ca 0.43 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 1wjm s SER 31 Cb 0.29 -1.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.36 1wjm s SER 31 CO -0.10 0.02 0.98 0.26 0.98 0.00 0.00 173.24 175.38 1wjm s TRP 32 N -2.09 3.56 -0.09 5.02 0.52 -1.26 -4.41 118.94 120.18 1wjm s TRP 32 Ca 0.30 1.60 -0.09 0.00 0.02 0.00 0.00 56.10 57.93 1wjm s TRP 32 Cb -0.08 -3.14 0.02 0.00 -1.15 0.00 0.00 33.47 29.12 1wjm s TRP 32 CO 0.21 -0.15 0.25 -0.65 0.02 0.00 0.00 176.95 176.63 1wjm s GLN 33 N 1.66 0.30 -0.52 4.98 -0.21 -1.23 -5.04 119.66 119.61 1wjm s GLN 33 Ca 0.49 0.32 -0.27 0.00 0.02 0.00 0.00 55.36 55.92 1wjm s GLN 33 Cb -0.19 0.15 -0.01 0.00 1.00 0.00 0.00 33.01 33.95 1wjm s GLN 33 CO 0.21 -0.04 1.76 0.54 -2.12 0.00 0.00 175.29 175.64 1wjm s ASN 34 N 0.08 5.61 -0.13 5.90 4.22 -1.26 -1.83 114.94 127.52 1wjm s ASN 34 Ca -0.01 0.63 0.03 0.00 -2.14 0.00 0.00 52.86 51.37 1wjm s ASN 34 Cb -0.02 -2.53 0.01 0.00 1.28 0.00 0.00 41.25 39.99 1wjm s ASN 34 CO 0.00 -2.05 -0.22 -0.69 -2.04 0.00 0.00 177.10 172.10 1wjm s VAL 35 N 7.89 1.98 -0.48 3.54 1.01 0.95 -4.86 120.40 130.43 1wjm s VAL 35 Ca 0.69 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1wjm s VAL 35 Cb -0.15 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 1wjm s VAL 35 CO 0.25 0.54 1.60 -0.47 0.00 0.00 0.00 175.10 177.02 1wjm s TYR 36 N 0.74 2.07 -0.01 5.22 5.04 0.28 -2.29 117.35 128.40 1wjm s TYR 36 Ca -0.10 0.62 -0.30 0.00 -2.44 0.00 0.00 57.07 54.85 1wjm s TYR 36 Cb -0.16 -4.25 -0.03 0.00 0.35 0.00 0.00 41.96 37.87 1wjm s TYR 36 CO 0.00 -2.29 1.08 0.00 -1.34 0.00 0.00 175.55 173.01 1wjm s VAL 38 N 1.40 1.56 -0.12 0.00 1.01 0.30 -1.36 120.40 123.18 1wjm s VAL 38 Ca 0.54 -1.56 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 1wjm s VAL 38 Cb -0.23 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1wjm s VAL 38 CO 0.26 -0.37 0.12 -0.22 0.00 0.00 0.00 175.10 174.88 1wjm s LEU 39 N 1.32 4.27 0.00 3.92 2.96 0.31 0.18 118.68 131.64 1wjm s LEU 39 Ca 0.02 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1wjm s LEU 39 Cb -0.18 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.47 1wjm s LEU 39 CO -0.11 0.40 0.00 -1.14 -1.32 0.00 0.00 176.35 174.17 1wjm n ARG 40 N 2.06 0.97 -1.02 1.98 3.00 -0.82 -2.21 116.66 120.62 1wjm n ARG 40 Ca -0.20 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.24 1wjm n ARG 40 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.92 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 0.88 -2.17 -0.14 1.74 -1.26 -3.42 116.66 112.29 1wjm n ARG 41 Ca 0.00 -1.58 -0.05 0.00 -0.77 0.00 0.00 57.85 55.45 1wjm n ARG 41 Cb 0.00 -2.90 0.02 0.00 -1.02 0.00 0.00 32.46 28.56 1wjm n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wjm n GLY 42 N 4.91 0.27 3.71 -0.13 0.00 -1.26 -4.38 105.19 108.31 1wjm n GLY 42 Ca 0.48 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.22 -0.36 -0.30 1.61 1.04 -1.22 -3.92 113.70 107.32 1wjm s SER 43 Ca 0.08 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1wjm s SER 43 Cb -0.01 0.67 0.15 0.00 0.10 0.00 0.00 66.02 66.94 1wjm s SER 43 CO 0.21 -1.20 0.37 -0.22 0.98 0.00 0.00 173.24 173.39 1wjm s LEU 44 N -2.86 -0.54 0.03 2.42 2.96 -0.90 -1.94 118.68 117.85 1wjm s LEU 44 Ca 0.08 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.29 1wjm s LEU 44 Cb -0.04 0.87 -0.05 0.00 0.50 0.00 0.00 46.19 47.47 1wjm s LEU 44 CO -0.00 -0.35 0.26 -0.83 -1.32 0.00 0.00 176.35 174.11 1wjm s GLY 45 N 2.36 2.23 -0.06 7.98 0.00 0.48 -0.89 107.32 119.42 1wjm s GLY 45 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1wjm s GLY 45 CO -0.28 -0.49 -0.03 -1.36 0.00 0.00 0.00 173.10 170.94 1wjm s PHE 46 N -1.37 3.03 0.02 1.90 0.08 -1.26 0.11 117.98 120.49 1wjm s PHE 46 Ca 0.30 0.09 -0.14 0.00 0.12 0.00 0.00 56.93 57.30 1wjm s PHE 46 Cb -0.13 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 1wjm s PHE 46 CO 0.19 0.41 0.30 0.71 -0.10 0.00 0.00 175.22 176.72 1wjm s TYR 47 N -0.90 -0.13 0.10 0.36 1.51 -0.44 -3.56 117.35 114.29 1wjm s TYR 47 Ca 0.14 0.08 -0.25 0.00 -1.01 0.00 0.00 57.07 56.03 1wjm s TYR 47 Cb -0.11 0.09 -0.08 0.00 -0.11 0.00 0.00 41.96 41.75 1wjm s TYR 47 CO 0.04 -0.45 1.42 -0.22 -1.11 0.00 0.00 175.55 175.22 1wjm h LYS 48 N 3.51 -0.23 0.00 -0.62 1.63 -1.88 0.81 116.57 119.79 1wjm h LYS 48 Ca -0.31 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.44 1wjm h LYS 48 Cb 1.19 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1wjm h LYS 48 CO 0.44 -0.15 0.07 -0.25 -3.45 0.00 0.00 179.45 176.10 1wjm n ASP 49 N -4.73 -1.14 0.11 4.20 9.92 -1.26 -3.68 116.55 119.97 1wjm n ASP 49 Ca -0.02 -1.99 0.09 0.00 -0.53 0.00 0.00 54.79 52.34 1wjm n ASP 49 Cb 0.25 1.96 0.44 0.00 -0.64 0.00 0.00 41.12 43.12 1wjm n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wjm n ALA 50 N -1.62 1.21 0.12 2.24 0.00 -1.26 -0.86 120.51 120.34 1wjm n ALA 50 Ca -0.09 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1wjm n ALA 50 Cb 0.34 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 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 0.50 0.05 0.00 1.79 -1.98 -2.57 116.57 114.36 1wjm h LYS 51 Ca 0.00 -0.79 -0.00 0.00 -2.18 0.00 0.00 60.65 57.67 1wjm h LYS 51 Cb 0.09 0.29 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1wjm h LYS 51 CO 0.00 1.37 -0.02 0.00 -1.08 0.00 0.00 179.45 179.72 1wjm h ALA 52 N 0.30 -0.07 -0.91 3.86 0.00 -1.32 -2.90 119.26 118.21 1wjm h ALA 52 Ca -0.21 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 54.69 1wjm h ALA 52 Cb 2.06 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.75 1wjm h ALA 52 CO 0.25 -0.09 0.44 0.00 0.00 0.00 0.00 179.25 179.85 1wjm h ALA 53 N -0.50 1.49 -0.34 0.00 0.00 -1.13 0.81 119.26 119.58 1wjm h ALA 53 Ca -0.01 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1wjm h ALA 53 Cb 0.48 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1wjm h ALA 53 CO 0.01 -0.31 0.21 1.03 0.00 0.00 0.00 179.25 180.20 1wjm h SER 54 N 0.45 0.35 -0.01 0.00 0.87 -1.54 0.74 113.55 114.42 1wjm h SER 54 Ca 0.57 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1wjm h SER 54 Cb 1.06 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1wjm h SER 54 CO -0.50 0.25 0.00 0.00 -0.53 0.00 0.00 176.83 176.05 1wjm n ALA 55 N -2.21 2.64 -3.43 6.23 0.00 0.11 -4.87 120.51 118.98 1wjm n ALA 55 Ca -0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1wjm n ALA 55 Cb 0.04 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.17 1wjm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wjm n GLY 56 N 0.91 -0.33 3.45 0.00 0.00 0.24 -4.99 105.19 104.47 1wjm n GLY 56 Ca 0.19 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.28 4.28 0.12 1.61 1.01 0.72 -4.96 120.40 119.90 1wjm s VAL 57 Ca 0.47 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1wjm s VAL 57 Cb -0.21 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1wjm s VAL 57 CO 0.63 0.36 1.14 -2.16 0.00 0.00 0.00 175.10 175.07 1wjm s PRO 58 N 1.47 4.52 0.03 2.72 0.04 -1.26 -4.00 135.00 138.52 1wjm s PRO 58 Ca 0.06 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 1wjm s PRO 58 Cb -0.15 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1wjm s PRO 58 CO 0.03 -0.08 1.14 -0.92 0.04 0.00 0.00 177.00 177.21 1wjm h TYR 59 N 5.88 -0.43 -1.39 0.56 3.20 -1.87 -3.10 116.97 119.82 1wjm h TYR 59 Ca -0.43 0.02 -0.60 0.00 3.14 0.00 0.00 58.73 60.85 1wjm h TYR 59 Cb 1.21 0.20 -0.40 0.00 1.54 0.00 0.00 36.73 39.28 1wjm h TYR 59 CO 0.65 -0.13 -0.51 0.72 -1.64 0.00 0.00 178.16 177.25 1wjm n HIS 60 N -3.35 3.23 -1.71 -3.82 8.25 -1.26 -4.87 115.22 111.69 1wjm n HIS 60 Ca -0.01 -2.85 -0.09 0.00 -0.26 0.00 0.00 57.72 54.51 1wjm n HIS 60 Cb 0.09 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 -0.55 0.36 3.87 -1.41 0.00 -1.17 -4.89 105.19 101.40 1wjm n GLY 61 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.61 3.63 0.40 1.61 2.02 -1.26 -5.05 118.70 116.44 1wjm s GLU 62 Ca 0.00 0.68 0.08 0.00 0.02 0.00 0.00 54.97 55.75 1wjm s GLU 62 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1wjm s GLU 62 CO 0.00 -0.48 0.40 0.14 0.02 0.00 0.00 175.26 175.34 1wjm s VAL 63 N -3.05 2.94 0.51 2.63 -7.23 -1.26 -4.84 120.40 110.09 1wjm s VAL 63 Ca 0.54 -1.27 -0.19 0.00 -1.81 0.00 0.00 61.98 59.25 1wjm s VAL 63 Cb -0.11 -3.05 -0.08 0.00 0.56 0.00 0.00 36.38 33.71 1wjm s VAL 63 CO 0.50 -0.04 1.04 -2.16 -0.31 0.00 0.00 175.10 174.13 1wjm s PRO 64 N -4.15 3.72 -0.24 4.82 0.04 -1.26 -4.66 135.00 133.27 1wjm s PRO 64 Ca 0.48 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1wjm s PRO 64 Cb -0.05 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1wjm s PRO 64 CO 0.29 -0.49 0.17 0.14 0.04 0.00 0.00 177.00 177.15 1wjm s VAL 65 N -2.08 5.35 0.01 -0.36 -7.23 -0.06 -4.84 120.40 111.19 1wjm s VAL 65 Ca 0.66 0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 60.73 1wjm s VAL 65 Cb -0.16 -3.51 -0.05 0.00 0.56 0.00 0.00 36.38 33.22 1wjm s VAL 65 CO 0.23 0.34 1.26 -0.44 -0.31 0.00 0.00 175.10 176.18 1wjm s SER 66 N 1.08 7.00 -0.32 4.85 0.01 -1.26 -2.11 113.70 122.94 1wjm s SER 66 Ca 0.08 1.99 -0.03 0.00 1.31 0.00 0.00 55.95 59.30 1wjm s SER 66 Cb -0.14 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.61 1wjm s SER 66 CO 0.05 -0.57 2.53 0.18 0.41 0.00 0.00 173.24 175.83 1wjm n LEU 67 N 4.66 6.27 -4.55 2.44 4.77 -1.25 -4.83 117.00 124.50 1wjm n LEU 67 Ca 0.11 -3.57 -0.43 0.00 -0.03 0.00 0.00 56.01 52.09 1wjm n LEU 67 Cb 0.45 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 1wjm n LEU 67 CO 0.56 1.49 0.72 0.00 -1.33 0.00 0.00 177.39 178.83 1wjm s ALA 68 N -1.35 3.23 -1.06 -1.18 0.00 -1.26 -3.51 121.76 116.62 1wjm s ALA 68 Ca 0.45 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1wjm s ALA 68 Cb 0.30 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1wjm s ALA 68 CO -0.10 -2.11 0.00 0.54 0.00 0.00 0.00 175.76 174.09 1wjm n ARG 69 N 7.15 -0.76 -1.99 0.00 1.74 -1.26 -4.40 116.66 117.14 1wjm n ARG 69 Ca 0.04 0.84 -0.29 0.00 -0.77 0.00 0.00 57.85 57.67 1wjm n ARG 69 Cb 0.48 -4.78 0.15 0.00 -1.02 0.00 0.00 32.46 27.30 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 -2.34 2.49 -0.14 7.54 0.00 -1.23 -4.17 121.76 123.91 1wjm s ALA 70 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 1wjm s ALA 70 Cb 0.00 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.42 1wjm s ALA 70 CO 0.00 -2.13 0.36 -0.65 0.00 0.00 0.00 175.76 173.34 1wjm s GLN 71 N -5.73 0.38 -0.13 0.00 -0.21 -0.82 -4.93 119.66 108.22 1wjm s GLN 71 Ca 0.70 0.60 0.03 0.00 0.02 0.00 0.00 55.36 56.71 1wjm s GLN 71 Cb -0.06 0.07 0.01 0.00 1.00 0.00 0.00 33.01 34.03 1wjm s GLN 71 CO 0.51 -0.11 -0.22 0.20 -2.12 0.00 0.00 175.29 173.55 1wjm s GLY 72 N 0.77 1.36 0.09 3.09 0.00 -1.26 -1.84 107.32 109.53 1wjm s GLY 72 Ca -0.05 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.64 1wjm s GLY 72 CO -0.05 -0.13 -0.06 -0.45 0.00 0.00 0.00 173.10 172.41 1wjm s SER 73 N 0.65 0.98 0.46 1.64 0.15 -0.45 -4.97 113.70 112.16 1wjm s SER 73 Ca -0.11 -0.99 -0.20 0.00 0.70 0.00 0.00 55.95 55.35 1wjm s SER 73 Cb -0.16 0.12 -0.10 0.00 -1.71 0.00 0.00 66.02 64.17 1wjm s SER 73 CO 0.02 -0.49 0.97 -0.69 1.20 0.00 0.00 173.24 174.25 1wjm s VAL 74 N -3.64 4.36 -1.12 4.45 1.01 -1.26 0.47 120.40 124.68 1wjm s VAL 74 Ca 0.10 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1wjm s VAL 74 Cb 0.06 -3.62 0.25 0.00 0.00 0.00 0.00 36.38 33.07 1wjm s VAL 74 CO -0.06 -0.42 1.17 0.00 0.00 0.00 0.00 175.10 175.79 1wjm s ALA 75 N -2.30 4.51 0.24 5.51 0.00 0.54 -4.53 121.76 125.74 1wjm s ALA 75 Ca 0.62 -3.68 0.13 0.00 0.00 0.00 0.00 51.96 49.02 1wjm s ALA 75 Cb -0.10 -3.71 0.45 0.00 0.00 0.00 0.00 23.12 19.76 1wjm s ALA 75 CO 0.19 -2.36 1.65 0.74 0.00 0.00 0.00 175.76 175.99 1wjm h PHE 76 N 6.89 0.00 0.29 0.00 0.04 -1.94 -3.21 116.94 119.00 1wjm h PHE 76 Ca 0.21 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 1wjm h PHE 76 Cb 0.89 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.04 1wjm h PHE 76 CO 0.86 0.55 -0.14 -0.44 -0.60 0.00 0.00 178.31 178.54 1wjm h ASP 77 N 0.00 -0.33 -0.22 2.17 3.32 -1.95 -3.41 116.42 116.00 1wjm h ASP 77 Ca -0.01 -0.15 -0.48 0.00 0.02 0.00 0.00 57.03 56.41 1wjm h ASP 77 Cb 1.04 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.59 1wjm h ASP 77 CO 0.07 -0.02 1.74 0.00 -1.72 0.00 0.00 179.24 179.31 1wjm n TYR 78 N -5.15 0.65 -2.71 4.55 9.36 -1.21 -4.78 117.16 117.87 1wjm n TYR 78 Ca -0.10 0.32 -0.41 0.00 3.32 0.00 0.00 57.90 61.03 1wjm n TYR 78 Cb 0.24 -2.30 0.02 0.00 -0.63 0.00 0.00 39.34 36.67 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 8.38 5.22 0.00 2.98 0.63 -1.26 -4.53 116.66 128.08 1wjm n ARG 79 Ca 0.62 -4.66 0.00 0.00 -0.92 0.00 0.00 57.85 52.89 1wjm n ARG 79 Cb 0.11 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.55 1wjm n ARG 79 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1wjm n LYS 80 N 0.17 0.00 -4.08 -0.14 0.00 -1.26 -5.12 118.16 107.73 1wjm n LYS 80 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.46 1wjm n LYS 80 Cb 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.25 1wjm n LYS 80 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1wjm s ARG 81 N -0.77 2.86 0.65 1.64 3.00 -1.26 -5.12 118.95 119.95 1wjm s ARG 81 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 55.73 54.88 1wjm s ARG 81 Cb 0.00 -2.66 0.06 0.00 0.00 0.00 0.00 34.95 32.35 1wjm s ARG 81 CO 0.00 0.51 0.92 0.15 0.00 0.00 0.00 175.30 176.88 1wjm s LYS 82 N -2.86 2.25 -1.01 3.54 1.02 -1.26 -4.51 119.74 116.91 1wjm s LYS 82 Ca 0.30 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 55.58 1wjm s LYS 82 Cb -0.11 -2.31 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1wjm s LYS 82 CO 0.23 -1.07 0.74 -2.39 -0.92 0.00 0.00 175.35 171.93 1wjm n HIS 83 N -2.69 -2.11 -3.87 3.18 1.44 -1.26 -4.65 115.22 105.27 1wjm n HIS 83 Ca 0.09 0.63 -0.27 0.00 -2.01 0.00 0.00 57.72 56.16 1wjm n HIS 83 Cb 0.60 -3.39 -0.17 0.00 0.12 0.00 0.00 29.99 27.15 1wjm n HIS 83 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wjm s VAL 84 N -3.29 0.93 -0.05 0.61 1.01 -1.26 -1.44 120.40 116.91 1wjm s VAL 84 Ca 0.30 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1wjm s VAL 84 Cb -0.11 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 1wjm s VAL 84 CO 0.85 0.21 -0.19 0.72 0.00 0.00 0.00 175.10 176.70 1wjm s PHE 85 N 1.73 1.90 0.12 5.22 -0.71 -1.00 0.20 117.98 125.44 1wjm s PHE 85 Ca 0.03 -0.59 -0.21 0.00 -1.04 0.00 0.00 56.93 55.11 1wjm s PHE 85 Cb -0.14 -1.28 -0.07 0.00 -1.21 0.00 0.00 43.02 40.32 1wjm s PHE 85 CO -0.08 -0.21 0.65 0.21 -1.34 0.00 0.00 175.22 174.45 1wjm s LYS 86 N 0.10 4.33 -0.32 1.99 2.20 0.18 -2.63 119.74 125.57 1wjm s LYS 86 Ca -0.06 0.89 0.03 0.00 -0.36 0.00 0.00 55.97 56.46 1wjm s LYS 86 Cb -0.13 -3.22 0.10 0.00 -1.51 0.00 0.00 37.83 33.07 1wjm s LYS 86 CO 0.03 0.60 0.05 -1.17 -0.36 0.00 0.00 175.35 174.50 1wjm s LEU 87 N -1.19 4.10 -0.36 5.43 2.96 0.93 -1.34 118.68 129.21 1wjm s LEU 87 Ca 0.32 -1.97 -0.14 0.00 -0.22 0.00 0.00 54.13 52.13 1wjm s LEU 87 Cb -0.21 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1wjm s LEU 87 CO 0.22 -0.37 0.28 -0.83 -1.32 0.00 0.00 176.35 174.33 1wjm s GLY 88 N 1.07 1.96 0.95 7.98 0.00 -0.76 -0.50 107.32 118.01 1wjm s GLY 88 Ca 0.09 -1.41 -0.14 0.00 0.00 0.00 0.00 44.72 43.26 1wjm s GLY 88 CO -0.11 0.86 1.16 1.08 0.00 0.00 0.00 173.10 176.09 1wjm s LEU 89 N 1.79 1.97 0.22 0.66 1.43 0.41 -1.94 118.68 123.21 1wjm s LEU 89 Ca 0.07 0.83 0.25 0.00 -1.03 0.00 0.00 54.13 54.25 1wjm s LEU 89 Cb -0.17 -3.05 0.89 0.00 0.03 0.00 0.00 46.19 43.88 1wjm s LEU 89 CO 0.11 -2.74 1.75 0.00 0.23 0.00 0.00 176.35 175.70 1wjm n GLN 90 N -3.87 0.23 -0.40 1.70 10.64 -1.26 -2.36 117.38 122.06 1wjm n GLN 90 Ca 0.08 0.29 0.05 0.00 -1.83 0.00 0.00 57.00 55.60 1wjm n GLN 90 Cb 0.59 -1.82 0.21 0.00 -0.86 0.00 0.00 30.24 28.36 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 -2.23 3.14 -1.55 2.61 2.03 -1.26 -4.85 116.55 114.43 1wjm n ASP 91 Ca 0.04 -2.34 -0.12 0.00 0.52 0.00 0.00 54.79 52.89 1wjm n ASP 91 Cb 0.35 -0.49 0.01 0.00 -0.72 0.00 0.00 41.12 40.26 1wjm n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wjm n GLY 92 N 0.62 -0.03 3.41 0.27 0.00 -1.00 -3.87 105.19 104.60 1wjm n GLY 92 Ca 0.15 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.90 2.92 -0.14 1.61 2.20 -1.24 -0.41 119.74 119.77 1wjm s LYS 93 Ca 0.09 -1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 54.59 1wjm s LYS 93 Cb -0.04 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1wjm s LYS 93 CO 0.11 -0.70 0.13 -1.21 -0.36 0.00 0.00 175.35 173.32 1wjm s GLU 94 N 1.61 3.65 0.08 4.03 2.02 -1.17 0.15 118.70 129.07 1wjm s GLU 94 Ca 0.03 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 54.88 1wjm s GLU 94 Cb -0.19 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1wjm s GLU 94 CO 0.08 0.63 -0.09 0.71 0.02 0.00 0.00 175.26 176.60 1wjm s TYR 95 N -0.59 0.96 -0.13 1.61 2.02 0.34 -2.73 117.35 118.84 1wjm s TYR 95 Ca 0.13 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 1wjm s TYR 95 Cb -0.12 -0.54 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 1wjm s TYR 95 CO 0.02 -0.03 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.33 1wjm s LEU 96 N -2.26 1.61 0.13 -1.29 1.43 -1.16 -0.05 118.68 117.09 1wjm s LEU 96 Ca 0.02 -0.44 0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1wjm s LEU 96 Cb -0.04 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1wjm s LEU 96 CO -0.00 -0.05 -0.25 -0.36 0.23 0.00 0.00 176.35 175.91 1wjm s PHE 97 N 1.41 2.19 -0.24 0.29 0.08 -1.08 -0.88 117.98 119.75 1wjm s PHE 97 Ca 0.02 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.68 1wjm s PHE 97 Cb -0.13 -1.18 0.06 0.00 -0.57 0.00 0.00 43.02 41.20 1wjm s PHE 97 CO -0.08 0.32 -0.02 -1.14 -0.10 0.00 0.00 175.22 174.20 1wjm s GLN 98 N -2.06 1.33 0.00 0.44 0.74 -1.21 -2.36 119.66 116.55 1wjm s GLN 98 Ca 0.13 -0.90 0.00 0.00 0.05 0.00 0.00 55.36 54.63 1wjm s GLN 98 Cb -0.10 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.55 1wjm s GLN 98 CO 0.06 -0.65 0.00 0.00 -0.55 0.00 0.00 175.29 174.15 1wjm n ALA 99 N 4.75 0.00 0.00 1.58 0.00 -0.52 -3.50 120.51 122.83 1wjm n ALA 99 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1wjm n ALA 99 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1wjm n ALA 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wjm n LYS 100 N 0.00 0.00 -2.95 0.00 4.81 -1.26 -4.94 118.16 113.82 1wjm n LYS 100 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1wjm n LYS 100 Cb 0.00 -0.80 -0.02 0.00 0.02 0.00 0.00 35.03 34.24 1wjm n LYS 100 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wjm n ASP 101 N -2.49 -0.78 0.00 3.14 8.00 -1.26 -4.86 116.55 118.31 1wjm n ASP 101 Ca 0.00 -2.08 0.04 0.00 0.71 0.00 0.00 54.79 53.46 1wjm n ASP 101 Cb 0.42 1.45 0.19 0.00 -0.02 0.00 0.00 41.12 43.17 1wjm n ASP 101 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wjm n GLU 102 N -0.33 0.00 0.00 -1.24 -0.58 -1.26 -2.37 120.64 114.86 1wjm n GLU 102 Ca 0.00 0.36 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1wjm n GLU 102 Cb 0.34 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1wjm n GLU 102 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wjm n ALA 103 N -1.51 0.00 -0.31 0.62 0.00 -1.26 -2.34 120.51 115.72 1wjm n ALA 103 Ca 0.02 -0.08 0.22 0.00 0.00 0.00 0.00 53.44 53.61 1wjm n ALA 103 Cb 0.10 0.00 0.42 0.00 0.00 0.00 0.00 19.45 19.97 1wjm n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wjm n GLU 104 N -1.97 -0.06 0.23 0.00 4.07 -1.21 -0.48 120.64 121.22 1wjm n GLU 104 Ca 0.00 1.32 -0.10 0.00 -0.06 0.00 0.00 57.16 58.32 1wjm n GLU 104 Cb 0.00 -2.25 -0.05 0.00 -0.06 0.00 0.00 31.44 29.09 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 -0.61 -1.01 5.31 4.05 -1.65 -2.42 114.93 118.59 1wjm h MET 105 Ca 0.68 0.04 0.41 0.00 -0.28 0.00 0.00 59.70 60.55 1wjm h MET 105 Cb 1.66 0.14 -0.17 0.00 -0.80 0.00 0.00 31.60 32.42 1wjm h MET 105 CO -0.78 -0.41 0.55 0.77 0.23 0.00 0.00 176.91 177.27 1wjm h SER 106 N -1.07 0.34 0.11 1.39 0.02 -0.38 0.95 113.55 114.92 1wjm h SER 106 Ca -0.07 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1wjm h SER 106 Cb 0.49 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1wjm h SER 106 CO 0.11 -0.39 -0.05 0.28 -1.14 0.00 0.00 176.83 175.63 1wjm h SER 107 N 0.04 -0.13 -0.34 3.07 0.02 -0.79 -2.00 113.55 113.42 1wjm h SER 107 Ca 0.84 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 61.61 1wjm h SER 107 Cb 2.19 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 64.71 1wjm h SER 107 CO -0.74 0.15 -0.31 -0.50 -1.14 0.00 0.00 176.83 174.28 1wjm h TRP 108 N -0.41 -0.97 -0.73 3.45 4.06 0.14 0.70 115.95 122.19 1wjm h TRP 108 Ca -0.02 0.05 0.14 0.00 2.06 0.00 0.00 58.89 61.13 1wjm h TRP 108 Cb 0.34 0.47 -0.14 0.00 -1.00 0.00 0.00 29.16 28.83 1wjm h TRP 108 CO 0.01 -0.24 -0.26 -0.07 -3.56 0.00 0.00 178.44 174.31 1wjm h LEU 109 N -0.14 -0.95 -1.70 -4.49 -0.00 -1.35 1.92 115.31 108.60 1wjm h LEU 109 Ca 0.06 0.24 0.15 0.00 -0.00 0.00 0.00 57.88 58.32 1wjm h LEU 109 Cb 0.29 0.54 -0.04 0.00 -0.00 0.00 0.00 40.66 41.45 1wjm h LEU 109 CO -0.39 -0.28 0.46 -0.09 -0.00 0.00 0.00 178.44 178.14 1wjm h ARG 110 N -0.06 0.29 0.00 1.13 2.43 0.20 0.72 114.38 119.09 1wjm h ARG 110 Ca 0.32 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1wjm h ARG 110 Cb 0.56 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1wjm h ARG 110 CO -0.77 0.19 -0.08 0.28 -1.51 0.00 0.00 179.97 178.08 1wjm h VAL 111 N 0.30 0.41 -0.99 0.20 2.07 0.78 -1.90 116.25 117.13 1wjm h VAL 111 Ca 0.33 -1.32 0.24 0.00 0.82 0.00 0.00 66.70 66.77 1wjm h VAL 111 Cb 0.88 0.79 -0.12 0.00 -1.52 0.00 0.00 31.29 31.31 1wjm h VAL 111 CO -0.08 0.14 0.57 0.58 0.02 0.00 0.00 177.57 178.79 1wjm h VAL 112 N -1.00 0.53 -0.17 2.57 2.07 0.27 1.09 116.25 121.61 1wjm h VAL 112 Ca -0.01 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 1wjm h VAL 112 Cb 0.30 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1wjm h VAL 112 CO -0.01 0.10 -0.57 0.78 0.02 0.00 0.00 177.57 177.90 1wjm h ASN 113 N 0.56 0.60 1.06 0.57 2.35 0.34 0.25 115.58 121.32 1wjm h ASN 113 Ca 0.63 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1wjm h ASN 113 Cb 1.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1wjm h ASN 113 CO -0.48 1.04 0.00 0.00 -1.65 0.00 0.00 177.43 176.34 1wjm h ALA 114 N 0.97 1.00 0.06 -0.83 0.00 0.16 -2.54 119.26 118.08 1wjm h ALA 114 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1wjm h ALA 114 Cb 1.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1wjm h ALA 114 CO 0.11 0.00 -1.85 0.00 0.00 0.00 0.00 179.25 177.51 1wjm n ALA 115 N -1.87 0.93 0.23 0.00 0.00 0.29 -3.46 120.51 116.64 1wjm n ALA 115 Ca 0.03 -0.65 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 1wjm n ALA 115 Cb 0.32 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.40 0.00 -0.04 0.00 2.04 -0.42 0.13 117.51 118.81 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 1.73 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 1wjm h ILE 116 CO -0.08 0.00 -0.51 0.00 0.00 0.00 0.00 178.15 177.56 1wjm h ALA 117 N -0.79 -0.91 -0.97 1.87 0.00 -1.66 -1.60 119.26 115.19 1wjm h ALA 117 Ca -0.04 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1wjm h ALA 117 Cb 0.84 0.95 -0.15 0.00 0.00 0.00 0.00 17.79 19.43 1wjm h ALA 117 CO -0.14 -1.08 -0.43 0.43 0.00 0.00 0.00 179.25 178.04 1wjm n SER 118 N -5.29 -0.73 0.00 0.00 7.64 -1.07 -4.93 113.62 109.23 1wjm n SER 118 Ca -0.07 1.70 0.00 0.00 1.01 0.00 0.00 58.87 61.51 1wjm n SER 118 Cb 0.37 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.40 0.16 3.79 0.23 0.00 0.01 -5.02 105.19 102.95 1wjm n GLY 119 Ca 0.08 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.28 1.51 0.40 1.61 0.04 -1.26 -4.36 135.00 129.66 1wjm s PRO 120 Ca 0.00 0.42 -0.27 0.00 0.04 0.00 0.00 61.00 61.20 1wjm s PRO 120 Cb 0.00 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1wjm s PRO 120 CO 0.00 -1.97 1.35 0.45 0.04 0.00 0.00 177.00 176.87 1wjm s SER 121 N -3.99 6.31 -0.06 6.66 0.15 -1.26 -4.96 113.70 116.56 1wjm s SER 121 Ca 0.63 2.77 -0.17 0.00 0.70 0.00 0.00 55.95 59.87 1wjm s SER 121 Cb -0.15 -2.65 -0.12 0.00 -1.71 0.00 0.00 66.02 61.40 1wjm s SER 121 CO 0.54 -0.86 0.68 0.28 1.20 0.00 0.00 173.24 175.07 1wjm h SER 122 N 2.77 -0.25 0.00 5.45 0.02 -1.95 -3.51 113.55 116.08 1wjm h SER 122 Ca -0.50 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1wjm h SER 122 Cb 1.25 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1wjm h SER 122 CO 0.63 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 177.20