#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 -0.64 -0.23 1.61 0.01 -1.26 -5.13 113.70 108.06 1wjm s SER 2 Ca 0.00 0.99 -0.05 0.00 1.31 0.00 0.00 55.95 58.20 1wjm s SER 2 Cb 0.00 1.74 0.12 0.00 0.21 0.00 0.00 66.02 68.09 1wjm s SER 2 CO 0.00 -0.25 0.43 -0.44 0.41 0.00 0.00 173.24 173.39 1wjm s SER 3 N 2.73 -0.20 -0.01 2.44 0.01 -1.26 -5.06 113.70 112.36 1wjm s SER 3 Ca 0.04 0.68 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 1wjm s SER 3 Cb -0.13 1.37 0.01 0.00 0.21 0.00 0.00 66.02 67.48 1wjm s SER 3 CO -0.17 -0.26 0.03 0.61 0.41 0.00 0.00 173.24 173.86 1wjm n GLY 4 N 5.39 -5.46 0.44 3.44 0.00 -1.26 -5.03 105.19 102.71 1wjm n GLY 4 Ca -0.06 0.32 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 1.86 1.63 -4.64 1.61 7.64 -1.26 -4.94 113.62 115.51 1wjm n SER 5 Ca -0.06 0.26 -0.43 0.00 1.01 0.00 0.00 58.87 59.65 1wjm n SER 5 Cb 0.09 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 1wjm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wjm s SER 6 N -5.97 6.92 0.00 6.43 0.01 -1.26 -4.86 113.70 114.96 1wjm s SER 6 Ca -0.19 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1wjm s SER 6 Cb 0.03 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1wjm s SER 6 CO 0.28 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1wjm n GLY 7 N 3.82 3.97 3.32 3.44 0.00 -1.26 -4.88 105.19 113.61 1wjm n GLY 7 Ca 0.13 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1wjm n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 8 N -2.92 2.73 0.13 1.61 0.41 -1.26 -4.99 118.70 114.41 1wjm s GLU 8 Ca 0.00 -1.31 -0.06 0.00 -0.41 0.00 0.00 54.97 53.20 1wjm s GLU 8 Cb 0.00 -3.81 -0.06 0.00 -1.78 0.00 0.00 34.13 28.49 1wjm s GLU 8 CO 0.00 -0.87 0.38 -0.65 -0.49 0.00 0.00 175.26 173.63 1wjm s GLN 9 N 1.50 3.64 -0.12 1.61 1.11 -1.26 -4.53 119.66 121.61 1wjm s GLN 9 Ca 0.03 -0.04 -0.08 0.00 0.01 0.00 0.00 55.36 55.28 1wjm s GLN 9 Cb -0.22 -2.88 0.04 0.00 -1.01 0.00 0.00 33.01 28.95 1wjm s GLN 9 CO 0.04 0.49 0.29 1.41 0.01 0.00 0.00 175.29 177.53 1wjm s MET 10 N -2.49 0.29 -0.09 2.91 1.75 -0.93 -4.97 119.30 115.77 1wjm s MET 10 Ca 0.39 0.53 -0.05 0.00 -1.25 0.00 0.00 55.69 55.31 1wjm s MET 10 Cb -0.12 0.00 0.04 0.00 2.84 0.00 0.00 34.83 37.59 1wjm s MET 10 CO 0.23 -0.12 0.21 -1.83 -0.65 0.00 0.00 175.02 172.86 1wjm s GLU 11 N 0.88 0.17 -0.17 4.11 -1.05 -1.26 0.19 118.70 121.57 1wjm s GLU 11 Ca -0.06 0.45 -0.31 0.00 -0.15 0.00 0.00 54.97 54.90 1wjm s GLU 11 Cb -0.07 -0.11 0.14 0.00 -0.44 0.00 0.00 34.13 33.65 1wjm s GLU 11 CO -0.06 -0.15 1.11 0.20 0.95 0.00 0.00 175.26 177.31 1wjm s GLY 12 N 1.08 -0.22 -0.19 -3.83 0.00 -0.17 -5.00 107.32 99.00 1wjm s GLY 12 Ca -0.08 1.98 -0.28 0.00 0.00 0.00 0.00 44.72 46.34 1wjm s GLY 12 CO -0.07 0.85 2.11 -0.29 0.00 0.00 0.00 173.10 175.70 1wjm s MET 13 N -1.63 3.34 0.14 2.90 1.75 -1.26 -1.88 119.30 122.66 1wjm s MET 13 Ca 0.04 2.04 0.07 0.00 -1.25 0.00 0.00 55.69 56.58 1wjm s MET 13 Cb -0.01 -4.31 -0.04 0.00 2.84 0.00 0.00 34.83 33.32 1wjm s MET 13 CO -0.03 -1.86 -0.15 -0.51 -0.65 0.00 0.00 175.02 171.81 1wjm s LEU 14 N 7.42 2.42 -0.75 4.11 1.02 -0.94 -4.74 118.68 127.22 1wjm s LEU 14 Ca 0.95 -0.84 -0.19 0.00 0.02 0.00 0.00 54.13 54.07 1wjm s LEU 14 Cb -0.33 -0.61 0.12 0.00 0.02 0.00 0.00 46.19 45.39 1wjm s LEU 14 CO 0.36 -0.13 0.90 0.00 0.02 0.00 0.00 176.35 177.50 1wjm s ARG 16 N 2.61 4.18 -0.26 0.00 3.52 -0.90 -2.97 118.95 125.13 1wjm s ARG 16 Ca 0.21 0.64 0.01 0.00 -0.13 0.00 0.00 55.73 56.47 1wjm s ARG 16 Cb -0.15 -3.61 0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1wjm s ARG 16 CO -0.00 -0.33 -0.04 0.21 -0.81 0.00 0.00 175.30 174.33 1wjm s LYS 17 N 2.21 1.67 -0.13 5.12 2.20 -0.19 -3.26 119.74 127.36 1wjm s LYS 17 Ca 0.29 -1.17 -0.29 0.00 -0.36 0.00 0.00 55.97 54.43 1wjm s LYS 17 Cb -0.16 -2.68 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 1wjm s LYS 17 CO 0.09 -0.66 1.57 -1.14 -0.36 0.00 0.00 175.35 174.86 1wjm s GLN 18 N 1.29 4.06 -0.19 4.03 0.74 -1.26 -2.46 119.66 125.87 1wjm s GLN 18 Ca -0.04 1.93 -0.15 0.00 0.05 0.00 0.00 55.36 57.15 1wjm s GLN 18 Cb -0.19 -3.96 -0.08 0.00 1.10 0.00 0.00 33.01 29.88 1wjm s GLN 18 CO -0.07 -0.97 -0.32 0.39 -0.55 0.00 0.00 175.29 173.77 1wjm n GLU 19 N 7.21 0.50 -4.40 1.67 -0.58 -1.08 -3.95 120.64 120.00 1wjm n GLU 19 Ca 0.17 0.21 -0.25 0.00 -0.42 0.00 0.00 57.16 56.87 1wjm n GLU 19 Cb 0.44 -1.36 -0.11 0.00 -0.57 0.00 0.00 31.44 29.84 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 -2.67 1.47 -0.00 3.49 -1.94 -1.16 -2.06 119.30 116.42 1wjm s MET 20 Ca -0.30 -1.52 0.06 0.00 -1.71 0.00 0.00 55.69 52.22 1wjm s MET 20 Cb 0.08 -1.68 -0.07 0.00 2.01 0.00 0.00 34.83 35.17 1wjm s MET 20 CO 0.41 0.35 0.25 -1.91 -0.01 0.00 0.00 175.02 174.11 1wjm n GLU 21 N 0.15 4.35 0.00 2.03 2.13 -0.54 -3.45 120.64 125.31 1wjm n GLU 21 Ca -0.12 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1wjm n GLU 21 Cb 0.57 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.44 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 -1.22 0.00 -1.43 4.31 0.00 0.01 -4.52 120.51 117.66 1wjm n ALA 22 Ca 0.01 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.94 1wjm n ALA 22 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.14 1.54 -0.80 0.00 3.72 -1.25 0.20 117.46 120.73 1wjm n PHE 23 Ca 0.00 0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 1wjm n PHE 23 Cb 0.00 -2.51 0.00 0.00 -0.94 0.00 0.00 39.48 36.03 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 6.61 0.93 3.62 1.37 0.00 -1.26 -4.97 105.19 111.49 1wjm n GLY 24 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.21 4.09 0.08 1.61 2.47 0.53 -5.04 119.74 123.27 1wjm s LYS 25 Ca 0.00 0.55 -0.19 0.00 -1.56 0.00 0.00 55.97 54.77 1wjm s LYS 25 Cb 0.00 -3.66 -0.07 0.00 -1.46 0.00 0.00 37.83 32.64 1wjm s LYS 25 CO 0.00 -0.44 0.57 -1.59 0.16 0.00 0.00 175.35 174.05 1wjm s LYS 26 N 2.55 4.20 -0.01 4.03 0.00 -1.26 -1.46 119.74 127.78 1wjm s LYS 26 Ca 0.27 0.74 -0.30 0.00 0.00 0.00 0.00 55.97 56.67 1wjm s LYS 26 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 37.83 34.41 1wjm s LYS 26 CO 0.09 0.63 1.15 0.00 0.00 0.00 0.00 175.35 177.22 1wjm s ALA 27 N -1.13 3.40 0.10 0.59 0.00 -0.88 -4.61 121.76 119.24 1wjm s ALA 27 Ca 0.30 0.67 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 1wjm s ALA 27 Cb -0.19 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1wjm s ALA 27 CO 0.19 -0.55 1.32 0.00 0.00 0.00 0.00 175.76 176.72 1wjm n ALA 28 N 4.54 -0.40 -3.71 0.00 0.00 -1.26 -4.03 120.51 115.66 1wjm n ALA 28 Ca 0.09 0.53 -0.34 0.00 0.00 0.00 0.00 53.44 53.72 1wjm n ALA 28 Cb 0.47 0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 1wjm n ALA 28 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wjm s ASN 29 N -4.57 3.93 -0.74 0.00 2.47 -1.26 -5.03 114.94 109.74 1wjm s ASN 29 Ca -0.07 -0.49 0.03 0.00 0.42 0.00 0.00 52.86 52.74 1wjm s ASN 29 Cb 0.07 -1.65 0.29 0.00 -1.45 0.00 0.00 41.25 38.51 1wjm s ASN 29 CO 0.38 -0.02 1.05 0.54 -3.72 0.00 0.00 177.10 175.34 1wjm n ARG 30 N 4.74 3.39 -3.92 0.43 1.74 -1.25 -4.65 116.66 117.13 1wjm n ARG 30 Ca -0.19 -4.71 -0.22 0.00 -0.77 0.00 0.00 57.85 51.96 1wjm n ARG 30 Cb 0.50 -2.32 -0.05 0.00 -1.02 0.00 0.00 32.46 29.57 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 -2.51 4.95 -0.12 0.55 0.01 -1.26 -4.91 113.70 110.41 1wjm s SER 31 Ca 0.41 -0.68 -0.18 0.00 1.31 0.00 0.00 55.95 56.80 1wjm s SER 31 Cb 0.17 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 1wjm s SER 31 CO -0.04 -0.38 0.47 0.26 0.41 0.00 0.00 173.24 173.96 1wjm s TRP 32 N -2.40 3.51 -0.12 2.43 0.52 -1.26 -4.16 118.94 117.46 1wjm s TRP 32 Ca 0.41 0.88 -0.05 0.00 0.02 0.00 0.00 56.10 57.35 1wjm s TRP 32 Cb -0.03 -2.55 0.06 0.00 -1.15 0.00 0.00 33.47 29.79 1wjm s TRP 32 CO 0.25 0.16 0.27 -0.65 0.02 0.00 0.00 176.95 177.00 1wjm s GLN 33 N 0.65 0.18 -0.42 4.98 -0.21 -1.20 -5.04 119.66 118.60 1wjm s GLN 33 Ca 0.26 0.67 -0.27 0.00 0.02 0.00 0.00 55.36 56.04 1wjm s GLN 33 Cb -0.15 -0.06 -0.05 0.00 1.00 0.00 0.00 33.01 33.75 1wjm s GLN 33 CO 0.10 -0.23 2.21 -0.80 -2.12 0.00 0.00 175.29 174.45 1wjm s ASN 34 N 1.91 4.98 -0.13 5.90 -0.87 -1.26 -2.12 114.94 123.35 1wjm s ASN 34 Ca -0.04 1.21 0.02 0.00 -1.57 0.00 0.00 52.86 52.49 1wjm s ASN 34 Cb -0.11 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1wjm s ASN 34 CO -0.09 -2.44 -0.21 -0.69 -2.57 0.00 0.00 177.10 171.11 1wjm s VAL 35 N 10.14 2.24 -0.40 1.60 1.01 0.20 -4.84 120.40 130.36 1wjm s VAL 35 Ca 0.92 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1wjm s VAL 35 Cb -0.21 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1wjm s VAL 35 CO 0.28 0.55 1.70 -0.47 0.00 0.00 0.00 175.10 177.16 1wjm s TYR 36 N 0.62 1.94 0.03 5.22 5.04 0.12 -2.23 117.35 128.10 1wjm s TYR 36 Ca -0.11 0.65 -0.30 0.00 -2.44 0.00 0.00 57.07 54.87 1wjm s TYR 36 Cb -0.16 -4.18 -0.04 0.00 0.35 0.00 0.00 41.96 37.93 1wjm s TYR 36 CO 0.03 -2.60 1.07 0.00 -1.34 0.00 0.00 175.55 172.70 1wjm s VAL 38 N 0.99 1.31 -0.07 0.00 1.01 0.13 -1.00 120.40 122.78 1wjm s VAL 38 Ca 0.54 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1wjm s VAL 38 Cb -0.24 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1wjm s VAL 38 CO 0.29 -0.37 0.13 -0.22 0.00 0.00 0.00 175.10 174.92 1wjm s LEU 39 N 1.45 4.24 0.00 3.92 2.96 0.50 0.11 118.68 131.86 1wjm s LEU 39 Ca 0.02 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1wjm s LEU 39 Cb -0.18 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.28 1wjm s LEU 39 CO -0.13 0.35 0.00 -1.14 -1.32 0.00 0.00 176.35 174.11 1wjm n ARG 40 N 1.59 1.07 -1.04 1.98 3.00 -0.76 -2.18 116.66 120.31 1wjm n ARG 40 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.31 1wjm n ARG 40 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.90 1wjm n ARG 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1wjm n ARG 41 N 0.00 0.64 -2.30 -0.14 0.63 -1.26 -3.30 116.66 110.93 1wjm n ARG 41 Ca 0.00 -1.53 -0.06 0.00 -0.92 0.00 0.00 57.85 55.34 1wjm n ARG 41 Cb 0.00 -3.00 0.03 0.00 0.45 0.00 0.00 32.46 29.94 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 5.14 0.14 3.70 5.14 0.00 -1.26 -3.39 105.19 114.66 1wjm n GLY 42 Ca 0.47 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.29 -0.36 -0.28 1.61 1.04 -1.21 -3.47 113.70 107.73 1wjm s SER 43 Ca 0.11 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.16 1wjm s SER 43 Cb -0.01 0.67 0.15 0.00 0.10 0.00 0.00 66.02 66.92 1wjm s SER 43 CO 0.28 -1.19 0.37 -0.22 0.98 0.00 0.00 173.24 173.46 1wjm s LEU 44 N -2.85 -0.60 0.00 2.42 2.96 -1.08 -1.83 118.68 117.70 1wjm s LEU 44 Ca 0.08 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1wjm s LEU 44 Cb -0.04 0.92 -0.04 0.00 0.50 0.00 0.00 46.19 47.53 1wjm s LEU 44 CO -0.00 -0.36 0.11 -0.83 -1.32 0.00 0.00 176.35 173.95 1wjm s GLY 45 N 2.49 2.06 -0.01 7.98 0.00 0.31 -0.26 107.32 119.88 1wjm s GLY 45 Ca 0.10 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 1wjm s GLY 45 CO -0.29 -0.74 0.08 -1.36 0.00 0.00 0.00 173.10 170.79 1wjm s PHE 46 N -1.24 3.30 -0.02 1.90 0.08 -1.26 0.22 117.98 120.95 1wjm s PHE 46 Ca 0.24 0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.45 1wjm s PHE 46 Cb -0.12 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1wjm s PHE 46 CO 0.16 0.56 0.14 0.71 -0.10 0.00 0.00 175.22 176.68 1wjm s TYR 47 N -1.17 -0.04 0.09 0.36 1.51 -0.70 -2.89 117.35 114.51 1wjm s TYR 47 Ca 0.22 0.07 -0.18 0.00 -1.01 0.00 0.00 57.07 56.18 1wjm s TYR 47 Cb -0.12 -0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1wjm s TYR 47 CO 0.13 -0.21 1.18 1.17 -1.11 0.00 0.00 175.55 176.71 1wjm n LYS 48 N 2.06 -0.25 -2.68 -0.62 4.81 -1.26 -0.70 118.16 119.51 1wjm n LYS 48 Ca -0.19 1.16 -0.06 0.00 -0.87 0.00 0.00 58.31 58.36 1wjm n LYS 48 Cb 0.57 -1.72 0.01 0.00 0.02 0.00 0.00 35.03 33.90 1wjm n LYS 48 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wjm n ASP 49 N -4.32 -1.13 0.12 3.14 8.00 -1.26 -3.86 116.55 117.24 1wjm n ASP 49 Ca 0.01 -1.96 0.09 0.00 0.71 0.00 0.00 54.79 53.65 1wjm n ASP 49 Cb 0.15 1.93 0.45 0.00 -0.02 0.00 0.00 41.12 43.64 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 -1.65 1.24 0.11 2.24 0.00 -1.26 -0.24 120.51 120.95 1wjm n ALA 50 Ca -0.09 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1wjm n ALA 50 Cb 0.33 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1wjm n ALA 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wjm h LYS 51 N 0.00 0.00 0.02 0.00 1.79 -1.97 -2.89 116.57 113.52 1wjm h LYS 51 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1wjm h LYS 51 Cb 0.11 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 1wjm h LYS 51 CO 0.00 0.45 -1.76 0.00 -1.08 0.00 0.00 179.45 177.07 1wjm n ALA 52 N -2.27 1.42 -0.08 3.86 0.00 0.67 -3.33 120.51 120.77 1wjm n ALA 52 Ca -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 1wjm n ALA 52 Cb 0.77 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 1wjm n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wjm h ALA 53 N 0.88 0.34 0.00 0.00 0.00 -1.11 1.32 119.26 120.70 1wjm h ALA 53 Ca -0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1wjm h ALA 53 Cb 2.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1wjm h ALA 53 CO 0.08 -0.00 -0.23 1.03 0.00 0.00 0.00 179.25 180.13 1wjm h SER 54 N 0.25 0.00 -0.33 0.00 0.87 -1.66 0.28 113.55 112.96 1wjm h SER 54 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1wjm h SER 54 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1wjm h SER 54 CO 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 176.83 176.53 1wjm n ALA 55 N -2.49 2.46 -4.02 6.23 0.00 -0.90 -4.92 120.51 116.88 1wjm n ALA 55 Ca -0.02 -0.72 -0.33 0.00 0.00 0.00 0.00 53.44 52.37 1wjm n ALA 55 Cb 0.29 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 1.24 -0.48 3.39 0.00 0.00 0.57 -4.93 105.19 104.98 1wjm n GLY 56 Ca 0.16 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 4.17 0.28 1.61 1.01 0.42 -4.99 120.40 119.63 1wjm s VAL 57 Ca 0.70 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1wjm s VAL 57 Cb -0.36 -3.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 1wjm s VAL 57 CO 0.86 0.16 1.08 -2.16 0.00 0.00 0.00 175.10 175.04 1wjm s PRO 58 N 1.55 4.63 -0.19 2.72 0.04 -1.26 -4.30 135.00 138.19 1wjm s PRO 58 Ca 0.04 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1wjm s PRO 58 Cb -0.16 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1wjm s PRO 58 CO 0.03 0.22 1.86 -0.47 0.04 0.00 0.00 177.00 178.68 1wjm s TYR 59 N -1.20 1.67 -1.33 0.56 6.14 -1.14 -1.80 117.35 120.24 1wjm s TYR 59 Ca 0.45 0.38 0.00 0.00 0.64 0.00 0.00 57.07 58.54 1wjm s TYR 59 Cb -0.31 -4.04 0.00 0.00 0.42 0.00 0.00 41.96 38.04 1wjm s TYR 59 CO 0.39 -3.70 0.00 0.72 0.64 0.00 0.00 175.55 173.60 1wjm n HIS 60 N 9.44 -0.07 -2.86 4.97 8.25 -1.26 -0.79 115.22 132.90 1wjm n HIS 60 Ca 0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1wjm n HIS 60 Cb 0.45 -2.77 0.03 0.00 1.12 0.00 0.00 29.99 28.82 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 0.07 0.32 3.64 -1.41 0.00 -0.74 -5.00 105.19 102.06 1wjm n GLY 61 Ca -0.13 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1wjm n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wjm s GLU 62 N -5.32 4.16 0.86 1.61 2.02 0.03 -5.05 118.70 117.01 1wjm s GLU 62 Ca 0.19 0.72 -0.11 0.00 0.02 0.00 0.00 54.97 55.78 1wjm s GLU 62 Cb -0.08 -3.63 0.11 0.00 0.10 0.00 0.00 34.13 30.62 1wjm s GLU 62 CO 0.29 -0.42 1.09 0.14 0.02 0.00 0.00 175.26 176.38 1wjm s VAL 63 N 2.53 2.81 0.72 2.63 -7.23 -1.26 -4.42 120.40 116.17 1wjm s VAL 63 Ca 0.30 0.26 -0.11 0.00 -1.81 0.00 0.00 61.98 60.62 1wjm s VAL 63 Cb -0.15 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1wjm s VAL 63 CO 0.08 -0.34 1.07 -2.16 -0.31 0.00 0.00 175.10 173.44 1wjm s PRO 64 N -5.00 2.72 -0.21 4.82 0.04 -1.26 -4.58 135.00 131.53 1wjm s PRO 64 Ca 0.63 0.87 -0.05 0.00 0.04 0.00 0.00 61.00 62.49 1wjm s PRO 64 Cb -0.17 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1wjm s PRO 64 CO 0.56 -1.23 -0.01 0.14 0.04 0.00 0.00 177.00 176.49 1wjm s VAL 65 N -3.07 3.77 0.01 -0.36 -7.23 0.64 -4.91 120.40 109.25 1wjm s VAL 65 Ca 0.59 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 1wjm s VAL 65 Cb -0.14 -2.71 -0.06 0.00 0.56 0.00 0.00 36.38 34.03 1wjm s VAL 65 CO 0.55 0.42 1.44 -0.44 -0.31 0.00 0.00 175.10 176.76 1wjm s SER 66 N 1.18 6.82 -0.24 4.85 0.01 -1.26 -2.64 113.70 122.41 1wjm s SER 66 Ca 0.03 2.16 -0.04 0.00 1.31 0.00 0.00 55.95 59.41 1wjm s SER 66 Cb -0.14 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 1wjm s SER 66 CO 0.01 -0.75 2.88 0.18 0.41 0.00 0.00 173.24 175.97 1wjm n LEU 67 N 5.45 5.96 -4.54 2.44 4.77 -1.26 -4.80 117.00 125.02 1wjm n LEU 67 Ca 0.14 -3.51 -0.43 0.00 -0.03 0.00 0.00 56.01 52.18 1wjm n LEU 67 Cb 0.43 -1.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.22 1wjm n LEU 67 CO 0.59 1.58 0.81 0.00 -1.33 0.00 0.00 177.39 179.04 1wjm s ALA 68 N -0.68 3.14 -0.66 -1.18 0.00 -1.26 -3.49 121.76 117.64 1wjm s ALA 68 Ca 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1wjm s ALA 68 Cb 0.31 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1wjm s ALA 68 CO -0.10 -2.40 0.00 0.54 0.00 0.00 0.00 175.76 173.81 1wjm n ARG 69 N 7.61 -0.80 -2.80 0.00 1.74 -1.26 -4.23 116.66 116.92 1wjm n ARG 69 Ca 0.04 0.62 -0.33 0.00 -0.77 0.00 0.00 57.85 57.40 1wjm n ARG 69 Cb 0.48 -4.46 -0.06 0.00 -1.02 0.00 0.00 32.46 27.39 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 -2.04 3.09 0.07 7.54 0.00 -1.23 -4.45 121.76 124.74 1wjm s ALA 70 Ca 0.00 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.31 1wjm s ALA 70 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1wjm s ALA 70 CO 0.00 0.10 -0.12 -0.65 0.00 0.00 0.00 175.76 175.09 1wjm s GLN 71 N -3.30 0.75 -0.04 0.00 -0.21 0.28 -4.89 119.66 112.25 1wjm s GLN 71 Ca 0.60 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 55.07 1wjm s GLN 71 Cb -0.09 -0.67 0.02 0.00 1.00 0.00 0.00 33.01 33.26 1wjm s GLN 71 CO 0.17 0.14 -0.05 0.20 -2.12 0.00 0.00 175.29 173.63 1wjm s GLY 72 N -1.75 0.44 0.05 3.09 0.00 -1.26 0.07 107.32 107.97 1wjm s GLY 72 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.62 1wjm s GLY 72 CO 0.02 0.35 -0.06 -0.45 0.00 0.00 0.00 173.10 172.95 1wjm s SER 73 N 0.77 0.77 0.51 1.64 0.15 0.71 -4.98 113.70 113.28 1wjm s SER 73 Ca -0.10 -0.72 -0.22 0.00 0.70 0.00 0.00 55.95 55.60 1wjm s SER 73 Cb -0.13 0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.20 1wjm s SER 73 CO 0.00 -0.34 1.33 -0.69 1.20 0.00 0.00 173.24 174.74 1wjm s VAL 74 N -2.33 2.29 -1.07 4.45 1.01 -1.26 0.20 120.40 123.68 1wjm s VAL 74 Ca -0.03 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1wjm s VAL 74 Cb -0.04 -3.11 0.14 0.00 0.00 0.00 0.00 36.38 33.38 1wjm s VAL 74 CO -0.03 0.00 2.38 0.00 0.00 0.00 0.00 175.10 177.46 1wjm n ALA 75 N -0.80 6.62 -0.31 5.51 0.00 0.37 -4.51 120.51 127.40 1wjm n ALA 75 Ca 0.09 -3.93 0.14 0.00 0.00 0.00 0.00 53.44 49.74 1wjm n ALA 75 Cb 0.45 -2.52 0.29 0.00 0.00 0.00 0.00 19.45 17.68 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 4.12 0.15 -0.24 0.00 0.04 -1.90 0.27 116.94 119.37 1wjm h PHE 76 Ca 0.61 0.06 0.03 0.00 2.80 0.00 0.00 57.97 61.47 1wjm h PHE 76 Cb 0.39 0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 1wjm h PHE 76 CO 1.52 -0.33 -0.40 -0.44 -0.60 0.00 0.00 178.31 178.06 1wjm h ASP 77 N 0.09 -1.33 -2.50 2.17 5.19 -1.95 -3.41 116.42 114.67 1wjm h ASP 77 Ca 0.57 0.17 -0.54 0.00 -0.62 0.00 0.00 57.03 56.61 1wjm h ASP 77 Cb 1.19 0.54 0.23 0.00 0.18 0.00 0.00 39.33 41.47 1wjm h ASP 77 CO -0.78 -0.31 -1.39 0.00 -3.12 0.00 0.00 179.24 173.64 1wjm n TYR 78 N -4.64 -3.60 0.00 4.55 9.36 0.08 -4.93 117.16 117.98 1wjm n TYR 78 Ca -0.03 0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1wjm n TYR 78 Cb 0.25 -1.56 0.00 0.00 -0.63 0.00 0.00 39.34 37.40 1wjm n TYR 78 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1wjm n ARG 79 N 0.81 0.00 -0.28 2.98 1.74 -1.26 -4.94 116.66 115.71 1wjm n ARG 79 Ca 0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1wjm n ARG 79 Cb 0.56 -0.12 -0.07 0.00 -1.02 0.00 0.00 32.46 31.81 1wjm n ARG 79 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1wjm h LYS 80 N 0.00 -0.02 -5.53 5.56 1.79 -1.99 -3.35 116.57 113.04 1wjm h LYS 80 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1wjm h LYS 80 Cb 0.00 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.55 1wjm h LYS 80 CO 0.00 -0.01 -0.08 1.03 -1.08 0.00 0.00 179.45 179.31 1wjm s ARG 81 N -4.76 4.20 0.53 3.15 0.52 -1.26 -5.06 118.95 116.26 1wjm s ARG 81 Ca -0.09 0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 55.34 1wjm s ARG 81 Cb 0.08 -3.55 -0.07 0.00 0.52 0.00 0.00 34.95 31.93 1wjm s ARG 81 CO 0.44 -0.10 0.99 0.15 0.02 0.00 0.00 175.30 176.79 1wjm s LYS 82 N 1.49 3.90 -0.84 3.54 1.02 -1.26 -4.26 119.74 123.34 1wjm s LYS 82 Ca 0.23 0.92 -0.03 0.00 0.02 0.00 0.00 55.97 57.11 1wjm s LYS 82 Cb -0.15 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1wjm s LYS 82 CO 0.09 -0.31 0.70 0.72 -0.92 0.00 0.00 175.35 175.63 1wjm n HIS 83 N -1.75 -2.53 -4.65 3.18 -0.00 -1.26 -4.47 115.22 103.74 1wjm n HIS 83 Ca 0.06 0.94 -0.25 0.00 -0.00 0.00 0.00 57.72 58.47 1wjm n HIS 83 Cb 0.54 -3.63 -0.16 0.00 -0.00 0.00 0.00 29.99 26.74 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 -3.08 1.21 0.04 1.59 1.01 -1.26 -0.45 120.40 119.46 1wjm s VAL 84 Ca 0.09 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1wjm s VAL 84 Cb -0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1wjm s VAL 84 CO 0.81 0.37 -0.17 0.72 0.00 0.00 0.00 175.10 176.82 1wjm s PHE 85 N 0.48 1.50 -0.10 5.22 -0.71 -0.71 0.14 117.98 123.81 1wjm s PHE 85 Ca -0.12 -0.36 -0.14 0.00 -1.04 0.00 0.00 56.93 55.27 1wjm s PHE 85 Cb -0.14 -0.90 -0.05 0.00 -1.21 0.00 0.00 43.02 40.72 1wjm s PHE 85 CO 0.03 0.06 0.36 0.21 -1.34 0.00 0.00 175.22 174.54 1wjm s LYS 86 N -1.11 4.10 -0.33 1.99 2.20 0.53 -2.34 119.74 124.79 1wjm s LYS 86 Ca 0.05 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1wjm s LYS 86 Cb -0.08 -3.34 0.08 0.00 -1.51 0.00 0.00 37.83 32.97 1wjm s LYS 86 CO 0.01 0.41 0.03 -1.17 -0.36 0.00 0.00 175.35 174.28 1wjm s LEU 87 N -0.12 4.31 -0.33 5.43 2.96 -0.29 -0.21 118.68 130.43 1wjm s LEU 87 Ca 0.21 -1.67 -0.14 0.00 -0.22 0.00 0.00 54.13 52.30 1wjm s LEU 87 Cb -0.15 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1wjm s LEU 87 CO 0.08 -0.34 0.31 -0.83 -1.32 0.00 0.00 176.35 174.26 1wjm s GLY 88 N 1.27 1.93 0.54 7.98 0.00 0.11 -0.44 107.32 118.70 1wjm s GLY 88 Ca 0.01 -1.24 -0.09 0.00 0.00 0.00 0.00 44.72 43.39 1wjm s GLY 88 CO -0.04 0.90 0.62 1.04 0.00 0.00 0.00 173.10 175.62 1wjm n LEU 89 N 5.26 0.00 0.09 0.66 4.77 0.49 -0.56 117.00 127.71 1wjm n LEU 89 Ca -0.11 -0.68 0.06 0.00 -0.03 0.00 0.00 56.01 55.26 1wjm n LEU 89 Cb 0.50 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1wjm n LEU 89 CO 0.38 -1.22 -0.01 0.06 -1.33 0.00 0.00 177.39 175.28 1wjm h GLN 90 N 0.00 0.00 -1.21 3.23 3.07 -1.78 -3.32 115.11 115.10 1wjm h GLN 90 Ca -0.21 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.16 1wjm h GLN 90 Cb 0.61 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 27.99 1wjm h GLN 90 CO 0.15 0.16 0.47 -3.47 0.09 0.00 0.00 178.83 176.22 1wjm n ASP 91 N -2.84 5.22 -3.63 0.06 2.03 -1.26 -4.81 116.55 111.33 1wjm n ASP 91 Ca -0.03 -3.12 -0.27 0.00 0.52 0.00 0.00 54.79 51.89 1wjm n ASP 91 Cb 0.68 -0.88 0.04 0.00 -0.72 0.00 0.00 41.12 40.23 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 -0.22 -0.51 3.29 0.27 0.00 -1.25 -3.83 105.19 102.94 1wjm n GLY 92 Ca 0.37 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 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 -6.33 2.67 -0.21 1.61 1.02 -1.26 -0.81 119.74 116.43 1wjm s LYS 93 Ca 0.56 -1.40 -0.07 0.00 0.02 0.00 0.00 55.97 55.08 1wjm s LYS 93 Cb -0.27 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 1wjm s LYS 93 CO 0.69 -0.92 0.06 -2.00 -0.92 0.00 0.00 175.35 172.26 1wjm s GLU 94 N 1.46 3.80 0.32 1.68 2.12 -1.22 0.18 118.70 127.05 1wjm s GLU 94 Ca 0.03 -0.42 0.10 0.00 0.36 0.00 0.00 54.97 55.04 1wjm s GLU 94 Cb -0.23 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 1wjm s GLU 94 CO 0.03 0.04 -0.12 0.71 -0.54 0.00 0.00 175.26 175.38 1wjm s TYR 95 N 0.99 2.35 -0.16 5.30 2.02 0.41 -2.64 117.35 125.62 1wjm s TYR 95 Ca 0.04 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 1wjm s TYR 95 Cb -0.14 -1.26 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1wjm s TYR 95 CO 0.03 0.61 -0.07 -0.51 -1.57 0.00 0.00 175.55 174.04 1wjm s LEU 96 N -3.57 1.61 -0.05 -1.29 1.43 -1.03 -1.14 118.68 114.65 1wjm s LEU 96 Ca 0.32 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1wjm s LEU 96 Cb 0.00 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 1wjm s LEU 96 CO 0.16 -0.16 -0.20 -0.36 0.23 0.00 0.00 176.35 176.02 1wjm s PHE 97 N 1.61 2.55 -0.33 0.29 0.08 -0.99 -1.02 117.98 120.18 1wjm s PHE 97 Ca 0.01 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.65 1wjm s PHE 97 Cb -0.15 -1.60 0.07 0.00 -0.57 0.00 0.00 43.02 40.76 1wjm s PHE 97 CO -0.08 0.01 0.06 -1.14 -0.10 0.00 0.00 175.22 173.97 1wjm s GLN 98 N -0.49 2.29 1.15 0.44 0.74 -1.16 -1.74 119.66 120.88 1wjm s GLN 98 Ca 0.06 -1.43 -0.18 0.00 0.05 0.00 0.00 55.36 53.87 1wjm s GLN 98 Cb -0.11 -3.29 0.26 0.00 1.10 0.00 0.00 33.01 30.96 1wjm s GLN 98 CO 0.01 -0.75 1.12 0.00 -0.55 0.00 0.00 175.29 175.13 1wjm s ALA 99 N 1.22 0.81 0.09 1.58 0.00 0.41 -3.50 121.76 122.36 1wjm s ALA 99 Ca -0.01 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1wjm s ALA 99 Cb -0.20 -2.92 -0.25 0.00 0.00 0.00 0.00 23.12 19.74 1wjm s ALA 99 CO -0.02 -3.36 1.18 1.57 0.00 0.00 0.00 175.76 175.14 1wjm h LYS 100 N -2.38 0.22 0.00 0.00 2.10 -1.85 -3.45 116.57 111.21 1wjm h LYS 100 Ca -0.47 -0.36 -0.05 0.00 -2.00 0.00 0.00 60.65 57.78 1wjm h LYS 100 Cb 1.30 0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.76 1wjm h LYS 100 CO 0.39 1.16 0.11 -0.25 -2.00 0.00 0.00 179.45 178.87 1wjm n ASP 101 N -3.51 -1.26 -0.16 7.07 8.00 -1.26 -4.99 116.55 120.45 1wjm n ASP 101 Ca -0.06 -1.98 0.01 0.00 0.71 0.00 0.00 54.79 53.47 1wjm n ASP 101 Cb 0.99 2.13 0.29 0.00 -0.02 0.00 0.00 41.12 44.51 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 0.87 0.00 -1.24 5.08 -1.93 -1.76 114.58 115.60 1wjm h GLU 102 Ca -0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1wjm h GLU 102 Cb 0.73 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wjm h GLU 102 CO 0.25 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 178.84 1wjm n ALA 103 N -2.44 -0.37 -0.32 3.43 0.00 -1.26 0.44 120.51 119.99 1wjm n ALA 103 Ca 0.07 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.68 1wjm n ALA 103 Cb 0.05 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.75 -0.07 0.10 0.00 4.07 -1.20 -0.08 120.64 121.72 1wjm n GLU 104 Ca 0.00 1.37 -0.04 0.00 -0.06 0.00 0.00 57.16 58.43 1wjm n GLU 104 Cb 0.00 -2.23 -0.02 0.00 -0.06 0.00 0.00 31.44 29.13 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 -0.24 -1.00 5.31 4.05 -1.22 -1.37 114.93 120.46 1wjm h MET 105 Ca 0.61 0.02 0.25 0.00 -0.28 0.00 0.00 59.70 60.30 1wjm h MET 105 Cb 1.35 0.06 -0.19 0.00 -0.80 0.00 0.00 31.60 32.02 1wjm h MET 105 CO -0.84 -0.16 -0.05 1.03 0.23 0.00 0.00 176.91 177.11 1wjm h SER 106 N -0.30 -0.62 0.23 1.39 0.87 0.16 0.57 113.55 115.84 1wjm h SER 106 Ca -0.03 0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1wjm h SER 106 Cb 0.19 0.53 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 1wjm h SER 106 CO 0.04 -0.36 -0.29 0.28 -0.53 0.00 0.00 176.83 175.98 1wjm h SER 107 N 0.00 -0.79 -0.11 6.23 0.02 -0.47 -0.63 113.55 117.80 1wjm h SER 107 Ca 0.57 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.61 1wjm h SER 107 Cb 1.10 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 1wjm h SER 107 CO -0.96 -0.40 -0.10 -0.50 -1.14 0.00 0.00 176.83 173.72 1wjm h TRP 108 N -0.57 -0.32 -0.99 3.45 4.06 0.13 1.29 115.95 123.01 1wjm h TRP 108 Ca 0.00 0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.15 1wjm h TRP 108 Cb 0.55 0.15 -0.18 0.00 -1.00 0.00 0.00 29.16 28.68 1wjm h TRP 108 CO -0.21 -0.08 -0.31 -0.07 -3.56 0.00 0.00 178.44 174.21 1wjm h LEU 109 N -0.04 -1.16 -0.76 -4.49 -0.00 -1.16 2.28 115.31 109.97 1wjm h LEU 109 Ca 0.02 0.30 0.06 0.00 -0.00 0.00 0.00 57.88 58.26 1wjm h LEU 109 Cb 0.09 0.68 -0.06 0.00 -0.00 0.00 0.00 40.66 41.38 1wjm h LEU 109 CO -0.13 -0.31 0.46 -0.09 -0.00 0.00 0.00 178.44 178.37 1wjm h ARG 110 N -0.00 0.81 0.49 1.13 2.43 0.97 0.31 114.38 120.53 1wjm h ARG 110 Ca 0.41 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1wjm h ARG 110 Cb 0.66 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1wjm h ARG 110 CO -1.00 0.54 -0.24 0.28 -1.51 0.00 0.00 179.97 178.04 1wjm h VAL 111 N 0.84 0.00 -1.05 0.20 2.07 1.16 -0.00 116.25 119.46 1wjm h VAL 111 Ca 0.34 -0.51 0.34 0.00 0.82 0.00 0.00 66.70 67.68 1wjm h VAL 111 Cb 0.17 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.80 1wjm h VAL 111 CO -0.17 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.62 1wjm h VAL 112 N -1.17 0.29 -0.25 2.57 2.07 0.32 1.97 116.25 122.04 1wjm h VAL 112 Ca -0.07 -0.10 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1wjm h VAL 112 Cb 0.50 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1wjm h VAL 112 CO 0.11 0.05 -0.54 0.78 0.02 0.00 0.00 177.57 177.99 1wjm h ASN 113 N 0.29 0.84 1.11 0.57 2.35 -0.32 0.25 115.58 120.66 1wjm h ASN 113 Ca 0.74 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 1wjm h ASN 113 Cb 1.81 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.93 1wjm h ASN 113 CO -0.55 1.21 -0.09 0.00 -1.65 0.00 0.00 177.43 176.35 1wjm h ALA 114 N 0.81 1.00 0.13 -0.83 0.00 0.45 -2.01 119.26 118.81 1wjm h ALA 114 Ca 0.01 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 1wjm h ALA 114 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wjm h ALA 114 CO 0.11 0.11 -1.38 0.00 0.00 0.00 0.00 179.25 178.10 1wjm h ALA 115 N 1.91 0.13 0.72 0.00 0.00 0.18 -3.14 119.26 119.06 1wjm h ALA 115 Ca -0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 1wjm h ALA 115 Cb 0.67 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wjm h ALA 115 CO 0.01 0.79 -0.46 0.82 0.00 0.00 0.00 179.25 180.40 1wjm h ILE 116 N -0.26 0.00 -0.49 0.00 2.04 -0.38 0.35 117.51 118.76 1wjm h ILE 116 Ca -0.29 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.64 1wjm h ILE 116 Cb 1.79 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 1wjm h ILE 116 CO 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.75 1wjm h ALA 117 N -1.20 -0.52 -0.57 1.87 0.00 -1.54 0.12 119.26 117.42 1wjm h ALA 117 Ca -0.10 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1wjm h ALA 117 Cb 0.90 1.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.60 1wjm h ALA 117 CO 0.08 -0.92 -0.34 1.03 0.00 0.00 0.00 179.25 179.10 1wjm h SER 118 N -0.31 -1.17 -5.00 0.00 0.87 -1.46 -3.48 113.55 103.00 1wjm h SER 118 Ca 0.13 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1wjm h SER 118 Cb 0.58 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1wjm h SER 118 CO -0.64 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 175.96 1wjm n GLY 119 N -1.43 2.34 3.57 5.77 0.00 0.10 -4.70 105.19 110.83 1wjm n GLY 119 Ca 0.04 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.15 3.13 -0.15 1.61 0.04 -1.23 -4.00 135.00 131.26 1wjm s PRO 120 Ca 0.00 -0.99 -0.01 0.00 0.04 0.00 0.00 61.00 60.05 1wjm s PRO 120 Cb 0.00 -5.27 0.00 0.00 0.04 0.00 0.00 34.50 29.27 1wjm s PRO 120 CO 0.00 -2.89 0.01 0.43 0.04 0.00 0.00 177.00 174.60 1wjm n SER 121 N 11.38 -7.01 -3.92 6.66 7.64 -1.22 -4.97 113.62 122.18 1wjm n SER 121 Ca 0.40 0.94 -0.30 0.00 1.01 0.00 0.00 58.87 60.91 1wjm n SER 121 Cb 0.48 -3.43 -0.15 0.00 -1.01 0.00 0.00 64.21 60.11 1wjm n SER 121 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wjm s SER 122 N -1.23 4.46 0.00 6.43 1.04 -1.26 -5.18 113.70 117.96 1wjm s SER 122 Ca -0.01 -2.21 0.00 0.00 0.48 0.00 0.00 55.95 54.21 1wjm s SER 122 Cb 0.00 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.70 1wjm s SER 122 CO 0.39 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.86