#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 -0.11 0.28 1.61 0.01 -1.26 -5.07 113.70 109.16 1wjm s SER 2 Ca 0.00 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 1wjm s SER 2 Cb 0.00 0.57 -0.10 0.00 0.21 0.00 0.00 66.02 66.70 1wjm s SER 2 CO 0.00 -1.10 1.14 -0.55 0.41 0.00 0.00 173.24 173.14 1wjm s SER 3 N -2.98 7.18 0.28 2.44 0.15 -1.25 -4.98 113.70 114.54 1wjm s SER 3 Ca 0.19 2.34 0.02 0.00 0.70 0.00 0.00 55.95 59.20 1wjm s SER 3 Cb -0.00 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 1wjm s SER 3 CO 0.06 -0.21 0.25 -0.83 1.20 0.00 0.00 173.24 173.70 1wjm s GLY 4 N -0.77 1.82 -0.63 9.45 0.00 -1.26 -5.11 107.32 110.81 1wjm s GLY 4 Ca 0.45 -1.82 -0.11 0.00 0.00 0.00 0.00 44.72 43.25 1wjm s GLY 4 CO 0.43 -1.36 0.53 -0.56 0.00 0.00 0.00 173.10 172.14 1wjm s SER 5 N -3.26 6.06 0.12 1.64 0.01 -1.26 -5.01 113.70 111.99 1wjm s SER 5 Ca 0.38 -2.34 -0.18 0.00 1.31 0.00 0.00 55.95 55.12 1wjm s SER 5 Cb 0.04 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.23 1wjm s SER 5 CO 0.20 -0.62 0.45 -0.94 0.41 0.00 0.00 173.24 172.74 1wjm s SER 6 N 2.28 -0.33 0.00 2.44 1.04 -1.26 -5.16 113.70 112.71 1wjm s SER 6 Ca 0.12 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1wjm s SER 6 Cb -0.20 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1wjm s SER 6 CO -0.03 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1wjm n GLY 7 N -0.16 4.00 3.59 7.32 0.00 -1.26 -4.96 105.19 113.72 1wjm n GLY 7 Ca -0.17 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.44 3.79 0.05 1.61 0.41 -1.26 -5.05 118.70 114.81 1wjm s GLU 8 Ca 0.00 0.22 -0.07 0.00 -0.41 0.00 0.00 54.97 54.70 1wjm s GLU 8 Cb 0.00 -3.77 -0.05 0.00 -1.78 0.00 0.00 34.13 28.53 1wjm s GLU 8 CO 0.00 -0.68 0.32 -0.65 -0.49 0.00 0.00 175.26 173.76 1wjm s GLN 9 N 2.73 3.64 -0.16 1.61 -0.21 -1.26 -4.72 119.66 121.28 1wjm s GLN 9 Ca 0.26 -0.01 -0.13 0.00 0.02 0.00 0.00 55.36 55.50 1wjm s GLN 9 Cb -0.14 -3.02 0.05 0.00 1.00 0.00 0.00 33.01 30.89 1wjm s GLN 9 CO 0.14 0.60 0.43 1.41 -2.12 0.00 0.00 175.29 175.74 1wjm s MET 10 N -1.95 0.47 -0.21 2.91 1.75 -1.22 -5.03 119.30 116.02 1wjm s MET 10 Ca 0.31 0.66 -0.13 0.00 -1.25 0.00 0.00 55.69 55.28 1wjm s MET 10 Cb -0.13 0.17 0.06 0.00 2.84 0.00 0.00 34.83 37.77 1wjm s MET 10 CO 0.18 -0.09 0.52 -1.83 -0.65 0.00 0.00 175.02 173.15 1wjm s GLU 11 N 0.58 0.53 -0.01 4.11 -1.05 -1.26 0.79 118.70 122.39 1wjm s GLU 11 Ca -0.03 0.92 -0.30 0.00 -0.15 0.00 0.00 54.97 55.41 1wjm s GLU 11 Cb -0.05 0.08 0.11 0.00 -0.44 0.00 0.00 34.13 33.83 1wjm s GLU 11 CO -0.03 -0.14 1.15 0.20 0.95 0.00 0.00 175.26 177.39 1wjm s GLY 12 N 1.28 -0.35 -0.24 -3.83 0.00 -0.02 -5.00 107.32 99.17 1wjm s GLY 12 Ca -0.08 0.75 -0.29 0.00 0.00 0.00 0.00 44.72 45.10 1wjm s GLY 12 CO -0.13 0.19 1.52 -0.29 0.00 0.00 0.00 173.10 174.39 1wjm s MET 13 N -2.71 3.85 0.07 2.90 1.75 -1.26 -0.78 119.30 123.12 1wjm s MET 13 Ca 0.12 1.55 0.05 0.00 -1.25 0.00 0.00 55.69 56.16 1wjm s MET 13 Cb 0.02 -3.98 -0.03 0.00 2.84 0.00 0.00 34.83 33.68 1wjm s MET 13 CO -0.03 -1.22 -0.13 -0.51 -0.65 0.00 0.00 175.02 172.48 1wjm s LEU 14 N 4.89 2.28 -0.78 4.11 1.02 -0.87 -4.79 118.68 124.54 1wjm s LEU 14 Ca 0.67 -0.61 -0.21 0.00 0.02 0.00 0.00 54.13 53.99 1wjm s LEU 14 Cb -0.23 -0.45 0.09 0.00 0.02 0.00 0.00 46.19 45.62 1wjm s LEU 14 CO 0.27 -0.10 1.07 0.00 0.02 0.00 0.00 176.35 177.60 1wjm s ARG 16 N 3.68 4.02 -0.40 0.00 3.52 -0.95 -3.09 118.95 125.73 1wjm s ARG 16 Ca 0.28 0.57 0.03 0.00 -0.13 0.00 0.00 55.73 56.48 1wjm s ARG 16 Cb -0.11 -3.69 0.11 0.00 -1.56 0.00 0.00 34.95 29.70 1wjm s ARG 16 CO 0.02 -0.56 0.15 0.21 -0.81 0.00 0.00 175.30 174.31 1wjm s LYS 17 N 2.74 1.45 -0.16 5.12 2.20 0.17 -3.53 119.74 127.74 1wjm s LYS 17 Ca 0.29 -1.96 -0.29 0.00 -0.36 0.00 0.00 55.97 53.66 1wjm s LYS 17 Cb -0.15 -2.87 -0.06 0.00 -1.51 0.00 0.00 37.83 33.24 1wjm s LYS 17 CO 0.10 -1.03 2.16 -1.14 -0.36 0.00 0.00 175.35 175.09 1wjm s GLN 18 N 0.61 3.37 -0.18 4.03 0.74 -1.26 -2.77 119.66 124.19 1wjm s GLN 18 Ca 0.14 2.18 -0.14 0.00 0.05 0.00 0.00 55.36 57.58 1wjm s GLN 18 Cb -0.22 -4.33 -0.08 0.00 1.10 0.00 0.00 33.01 29.49 1wjm s GLN 18 CO -0.07 -1.84 -0.13 0.39 -0.55 0.00 0.00 175.29 173.09 1wjm n GLU 19 N 8.47 0.50 -4.38 1.67 -0.58 -1.03 -4.18 120.64 121.12 1wjm n GLU 19 Ca 0.27 0.47 -0.26 0.00 -0.42 0.00 0.00 57.16 57.22 1wjm n GLU 19 Cb 0.44 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 29.56 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 -2.40 1.78 -0.00 3.49 -1.94 -1.17 -2.49 119.30 116.57 1wjm s MET 20 Ca -0.23 -1.48 0.09 0.00 -1.71 0.00 0.00 55.69 52.37 1wjm s MET 20 Cb 0.04 -1.96 -0.11 0.00 2.01 0.00 0.00 34.83 34.82 1wjm s MET 20 CO 0.37 0.40 0.35 -1.91 -0.01 0.00 0.00 175.02 174.21 1wjm n GLU 21 N -0.06 3.16 0.00 2.03 2.13 -0.80 -3.47 120.64 123.63 1wjm n GLU 21 Ca -0.10 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1wjm n GLU 21 Cb 0.57 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.28 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 -1.35 0.00 -1.63 4.31 0.00 0.13 -4.53 120.51 117.44 1wjm n ALA 22 Ca 0.01 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.88 1wjm n ALA 22 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.27 1.89 -1.24 0.00 3.72 -1.23 0.20 117.46 120.52 1wjm n PHE 23 Ca 0.00 0.55 -0.09 0.00 -0.05 0.00 0.00 57.45 57.87 1wjm n PHE 23 Cb 0.00 -2.44 -0.04 0.00 -0.94 0.00 0.00 39.48 36.06 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 4.87 0.83 3.68 1.37 0.00 -1.26 -4.93 105.19 109.76 1wjm n GLY 24 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 1wjm n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wjm s LYS 25 N -2.71 4.11 -0.05 1.61 2.47 0.52 -5.07 119.74 120.62 1wjm s LYS 25 Ca 0.00 -0.26 -0.12 0.00 -1.56 0.00 0.00 55.97 54.03 1wjm s LYS 25 Cb 0.00 -3.47 -0.05 0.00 -1.46 0.00 0.00 37.83 32.85 1wjm s LYS 25 CO 0.00 0.17 0.31 -1.59 0.16 0.00 0.00 175.35 174.40 1wjm s LYS 26 N 0.75 3.79 0.06 4.03 0.00 -1.26 -1.90 119.74 125.20 1wjm s LYS 26 Ca 0.07 0.21 -0.30 0.00 0.00 0.00 0.00 55.97 55.95 1wjm s LYS 26 Cb -0.12 -3.23 -0.05 0.00 0.00 0.00 0.00 37.83 34.43 1wjm s LYS 26 CO 0.02 0.68 1.04 0.00 0.00 0.00 0.00 175.35 177.09 1wjm s ALA 27 N -0.93 3.25 0.11 0.59 0.00 -1.04 -4.58 121.76 119.15 1wjm s ALA 27 Ca 0.20 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.59 1wjm s ALA 27 Cb -0.15 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1wjm s ALA 27 CO 0.10 -0.23 1.38 0.00 0.00 0.00 0.00 175.76 177.00 1wjm h ALA 28 N 6.37 -0.46 -3.46 0.00 0.00 -1.92 -3.38 119.26 116.41 1wjm h ALA 28 Ca -0.42 0.06 -0.66 0.00 0.00 0.00 0.00 54.91 53.89 1wjm h ALA 28 Cb 1.22 1.19 -0.21 0.00 0.00 0.00 0.00 17.79 19.99 1wjm h ALA 28 CO 0.75 -0.73 -0.69 1.21 0.00 0.00 0.00 179.25 179.80 1wjm s ASN 29 N -4.65 4.62 -0.40 0.00 2.47 -1.26 -5.02 114.94 110.70 1wjm s ASN 29 Ca -0.09 -0.11 0.10 0.00 0.42 0.00 0.00 52.86 53.18 1wjm s ASN 29 Cb 0.07 -1.50 0.43 0.00 -1.45 0.00 0.00 41.25 38.81 1wjm s ASN 29 CO 0.44 0.25 1.04 0.54 -3.72 0.00 0.00 177.10 175.65 1wjm n ARG 30 N 2.96 2.52 -3.56 0.43 1.74 -1.26 -4.68 116.66 114.82 1wjm n ARG 30 Ca -0.18 -4.03 -0.23 0.00 -0.77 0.00 0.00 57.85 52.64 1wjm n ARG 30 Cb 0.53 -1.86 -0.01 0.00 -1.02 0.00 0.00 32.46 30.09 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 -3.36 6.31 -0.10 0.55 0.01 -1.26 -4.90 113.70 110.94 1wjm s SER 31 Ca 0.40 0.34 -0.24 0.00 1.31 0.00 0.00 55.95 57.76 1wjm s SER 31 Cb 0.42 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 1wjm s SER 31 CO -0.10 -0.22 0.72 0.26 0.41 0.00 0.00 173.24 174.31 1wjm s TRP 32 N -2.20 3.53 -0.10 2.43 0.52 -1.26 -4.48 118.94 117.37 1wjm s TRP 32 Ca 0.38 1.22 -0.04 0.00 0.02 0.00 0.00 56.10 57.68 1wjm s TRP 32 Cb -0.09 -2.85 0.05 0.00 -1.15 0.00 0.00 33.47 29.42 1wjm s TRP 32 CO 0.34 -0.01 0.21 -0.65 0.02 0.00 0.00 176.95 176.86 1wjm s GLN 33 N 1.19 0.12 -0.42 4.98 1.11 -1.23 -5.05 119.66 120.36 1wjm s GLN 33 Ca 0.37 0.59 -0.27 0.00 0.01 0.00 0.00 55.36 56.06 1wjm s GLN 33 Cb -0.17 -0.14 -0.05 0.00 -1.01 0.00 0.00 33.01 31.64 1wjm s GLN 33 CO 0.16 -0.25 2.16 -0.80 0.01 0.00 0.00 175.29 176.58 1wjm s ASN 34 N 1.93 5.08 -0.13 5.90 -0.87 -1.26 -2.24 114.94 123.34 1wjm s ASN 34 Ca -0.02 1.19 0.02 0.00 -1.57 0.00 0.00 52.86 52.47 1wjm s ASN 34 Cb -0.12 -2.51 -0.00 0.00 -0.02 0.00 0.00 41.25 38.60 1wjm s ASN 34 CO -0.07 -2.37 -0.19 -0.69 -2.57 0.00 0.00 177.10 171.21 1wjm s VAL 35 N 9.79 2.42 -0.41 1.60 1.01 0.15 -4.87 120.40 130.09 1wjm s VAL 35 Ca 0.90 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 1wjm s VAL 35 Cb -0.21 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1wjm s VAL 35 CO 0.29 0.54 1.64 -0.47 0.00 0.00 0.00 175.10 177.09 1wjm s TYR 36 N 0.64 2.04 -0.01 5.22 5.04 0.19 -2.05 117.35 128.43 1wjm s TYR 36 Ca -0.10 0.64 -0.30 0.00 -2.44 0.00 0.00 57.07 54.88 1wjm s TYR 36 Cb -0.16 -4.21 -0.04 0.00 0.35 0.00 0.00 41.96 37.90 1wjm s TYR 36 CO 0.02 -2.45 1.12 0.00 -1.34 0.00 0.00 175.55 172.90 1wjm s VAL 38 N 1.48 1.35 -0.09 0.00 1.01 0.12 -0.84 120.40 123.44 1wjm s VAL 38 Ca 0.55 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1wjm s VAL 38 Cb -0.25 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1wjm s VAL 38 CO 0.26 -0.36 0.25 -0.22 0.00 0.00 0.00 175.10 175.03 1wjm s LEU 39 N 1.43 4.39 -0.30 3.92 2.96 0.24 0.91 118.68 132.24 1wjm s LEU 39 Ca 0.02 0.63 -0.22 0.00 -0.22 0.00 0.00 54.13 54.34 1wjm s LEU 39 Cb -0.18 -2.28 0.19 0.00 0.50 0.00 0.00 46.19 44.41 1wjm s LEU 39 CO -0.12 0.34 1.32 -0.60 -1.32 0.00 0.00 176.35 175.96 1wjm s ARG 40 N -0.81 0.12 -1.31 1.98 3.52 -0.31 -3.40 118.95 118.75 1wjm s ARG 40 Ca 0.18 0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.92 1wjm s ARG 40 Cb -0.14 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.31 1wjm s ARG 40 CO 0.07 -0.02 0.33 0.54 -0.81 0.00 0.00 175.30 175.41 1wjm n ARG 41 N 2.23 -3.07 -1.44 5.12 1.74 -1.26 -1.39 116.66 118.59 1wjm n ARG 41 Ca -0.13 0.76 -0.13 0.00 -0.77 0.00 0.00 57.85 57.58 1wjm n ARG 41 Cb 0.57 -5.22 -0.05 0.00 -1.02 0.00 0.00 32.46 26.73 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 -1.25 1.25 3.60 -0.13 0.00 -1.26 -4.64 105.19 102.76 1wjm n GLY 42 Ca -0.13 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.83 3.91 -0.27 1.61 0.01 -0.48 -3.21 113.70 112.44 1wjm s SER 43 Ca 0.00 -1.20 -0.02 0.00 1.31 0.00 0.00 55.95 56.04 1wjm s SER 43 Cb 0.00 -0.41 0.09 0.00 0.21 0.00 0.00 66.02 65.91 1wjm s SER 43 CO 0.00 -0.31 0.08 -0.22 0.41 0.00 0.00 173.24 173.20 1wjm s LEU 44 N -3.68 1.69 0.23 2.44 2.96 -0.91 -1.16 118.68 120.25 1wjm s LEU 44 Ca 0.34 -1.35 0.03 0.00 -0.22 0.00 0.00 54.13 52.93 1wjm s LEU 44 Cb 0.04 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.98 1wjm s LEU 44 CO 0.18 -0.38 0.38 -0.83 -1.32 0.00 0.00 176.35 174.38 1wjm s GLY 45 N 1.75 1.42 0.05 7.98 0.00 0.26 -0.57 107.32 118.22 1wjm s GLY 45 Ca 0.06 -1.07 0.09 0.00 0.00 0.00 0.00 44.72 43.80 1wjm s GLY 45 CO -0.22 -1.06 -0.24 -1.36 0.00 0.00 0.00 173.10 170.21 1wjm s PHE 46 N -1.97 2.38 0.07 1.90 0.08 -1.26 0.12 117.98 119.29 1wjm s PHE 46 Ca 0.36 -0.37 -0.14 0.00 0.12 0.00 0.00 56.93 56.90 1wjm s PHE 46 Cb -0.10 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 1wjm s PHE 46 CO 0.30 0.17 0.31 0.71 -0.10 0.00 0.00 175.22 176.61 1wjm s TYR 47 N -0.85 -0.09 0.05 0.36 1.51 -0.59 -3.68 117.35 114.06 1wjm s TYR 47 Ca 0.13 -0.12 -0.15 0.00 -1.01 0.00 0.00 57.07 55.91 1wjm s TYR 47 Cb -0.10 0.11 -0.06 0.00 -0.11 0.00 0.00 41.96 41.80 1wjm s TYR 47 CO 0.03 -0.55 1.25 -0.22 -1.11 0.00 0.00 175.55 174.95 1wjm h LYS 48 N 2.97 -0.25 0.00 -0.62 1.63 -1.87 0.55 116.57 118.98 1wjm h LYS 48 Ca -0.32 0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.36 1wjm h LYS 48 Cb 1.21 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 1wjm h LYS 48 CO 0.48 -0.17 -0.04 -0.25 -3.45 0.00 0.00 179.45 176.02 1wjm n ASP 49 N -3.87 -0.88 0.14 4.20 9.92 -1.26 -3.55 116.55 121.24 1wjm n ASP 49 Ca -0.03 -2.06 0.10 0.00 -0.53 0.00 0.00 54.79 52.27 1wjm n ASP 49 Cb 0.17 1.59 0.50 0.00 -0.64 0.00 0.00 41.12 42.75 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 -1.66 1.20 0.04 2.24 0.00 -1.26 -1.21 120.51 119.84 1wjm n ALA 50 Ca -0.08 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.31 1wjm n ALA 50 Cb 0.34 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 1wjm n ALA 50 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wjm h LYS 51 N 0.00 0.42 -0.18 0.00 3.64 -1.98 -2.91 116.57 115.56 1wjm h LYS 51 Ca 0.00 -0.55 -0.18 0.00 -1.27 0.00 0.00 60.65 58.66 1wjm h LYS 51 Cb 0.09 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1wjm h LYS 51 CO 0.00 1.21 -0.60 0.00 -2.27 0.00 0.00 179.45 177.79 1wjm h ALA 52 N 0.24 0.60 -0.18 5.00 0.00 -1.45 -1.96 119.26 121.51 1wjm h ALA 52 Ca -0.12 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.30 1wjm h ALA 52 Cb 1.55 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1wjm h ALA 52 CO 0.16 0.70 -0.14 0.00 0.00 0.00 0.00 179.25 179.96 1wjm h ALA 53 N 0.87 -0.01 0.00 0.00 0.00 -1.22 0.63 119.26 119.53 1wjm h ALA 53 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1wjm h ALA 53 Cb 1.17 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1wjm h ALA 53 CO 0.12 -0.58 -0.28 1.03 0.00 0.00 0.00 179.25 179.54 1wjm h SER 54 N -0.15 0.00 -0.38 0.00 0.87 -1.48 -0.65 113.55 111.77 1wjm h SER 54 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1wjm h SER 54 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1wjm h SER 54 CO -0.27 0.28 0.00 0.00 -0.53 0.00 0.00 176.83 176.31 1wjm n ALA 55 N -2.40 2.61 -3.25 6.23 0.00 0.10 -4.89 120.51 118.91 1wjm n ALA 55 Ca -0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 53.44 52.48 1wjm n ALA 55 Cb 0.35 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 0.97 -0.47 3.57 0.00 0.00 0.18 -4.87 105.19 104.56 1wjm n GLY 56 Ca 0.14 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1wjm n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wjm s VAL 57 N -2.56 5.07 0.19 1.61 1.01 0.12 -5.00 120.40 120.83 1wjm s VAL 57 Ca 0.32 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 1wjm s VAL 57 Cb -0.18 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 1wjm s VAL 57 CO 0.39 0.29 1.11 -2.16 0.00 0.00 0.00 175.10 174.73 1wjm s PRO 58 N 1.59 4.58 0.03 2.72 0.04 -1.26 -4.38 135.00 138.31 1wjm s PRO 58 Ca 0.07 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.76 1wjm s PRO 58 Cb -0.15 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1wjm s PRO 58 CO 0.08 0.06 1.15 -0.92 0.04 0.00 0.00 177.00 177.41 1wjm h TYR 59 N 5.01 -0.43 -1.09 0.56 3.20 -1.86 -3.19 116.97 119.18 1wjm h TYR 59 Ca -0.45 0.01 -0.59 0.00 3.14 0.00 0.00 58.73 60.85 1wjm h TYR 59 Cb 1.21 0.19 -0.41 0.00 1.54 0.00 0.00 36.73 39.26 1wjm h TYR 59 CO 0.62 -0.16 -0.54 0.72 -1.64 0.00 0.00 178.16 177.17 1wjm n HIS 60 N -3.30 3.02 -1.39 -3.82 8.25 -1.26 -4.86 115.22 111.87 1wjm n HIS 60 Ca -0.02 -2.59 -0.12 0.00 -0.26 0.00 0.00 57.72 54.73 1wjm n HIS 60 Cb 0.11 -0.40 -0.05 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.65 1.06 3.84 -1.41 0.00 -1.21 -4.90 105.19 101.93 1wjm n GLY 61 Ca 0.45 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.09 3.14 0.39 1.61 2.02 -1.26 -5.05 118.70 116.47 1wjm s GLU 62 Ca 0.00 0.82 0.08 0.00 0.02 0.00 0.00 54.97 55.89 1wjm s GLU 62 Cb 0.00 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 1wjm s GLU 62 CO 0.00 -0.92 0.37 0.14 0.02 0.00 0.00 175.26 174.88 1wjm s VAL 63 N -3.12 3.00 0.19 2.63 -7.23 -1.26 -4.84 120.40 109.78 1wjm s VAL 63 Ca 0.57 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.13 1wjm s VAL 63 Cb -0.13 -3.07 -0.08 0.00 0.56 0.00 0.00 36.38 33.67 1wjm s VAL 63 CO 0.54 -0.06 1.11 -2.16 -0.31 0.00 0.00 175.10 174.23 1wjm s PRO 64 N -4.11 4.59 -0.16 4.82 0.04 -1.26 -4.66 135.00 134.26 1wjm s PRO 64 Ca 0.47 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 1wjm s PRO 64 Cb -0.05 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1wjm s PRO 64 CO 0.28 0.08 0.79 0.14 0.04 0.00 0.00 177.00 178.33 1wjm s VAL 65 N -0.36 4.92 0.07 -0.36 -7.23 0.27 -4.79 120.40 112.92 1wjm s VAL 65 Ca 0.49 1.56 -0.31 0.00 -1.81 0.00 0.00 61.98 61.91 1wjm s VAL 65 Cb -0.30 -4.10 -0.07 0.00 0.56 0.00 0.00 36.38 32.47 1wjm s VAL 65 CO 0.36 0.07 1.41 -0.44 -0.31 0.00 0.00 175.10 176.19 1wjm s SER 66 N 1.12 6.83 -0.36 4.85 0.01 -1.26 -2.15 113.70 122.73 1wjm s SER 66 Ca 0.37 2.25 -0.01 0.00 1.31 0.00 0.00 55.95 59.87 1wjm s SER 66 Cb -0.17 -2.57 0.23 0.00 0.21 0.00 0.00 66.02 63.72 1wjm s SER 66 CO 0.13 -0.69 2.07 0.18 0.41 0.00 0.00 173.24 175.34 1wjm n LEU 67 N 4.61 6.60 -4.58 2.44 4.77 -1.20 -4.82 117.00 124.81 1wjm n LEU 67 Ca 0.12 -3.45 -0.43 0.00 -0.03 0.00 0.00 56.01 52.22 1wjm n LEU 67 Cb 0.43 -1.06 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1wjm n LEU 67 CO 0.59 1.28 0.84 0.00 -1.33 0.00 0.00 177.39 178.77 1wjm s ALA 68 N -2.01 3.25 -0.94 -1.18 0.00 -1.26 -3.31 121.76 116.30 1wjm s ALA 68 Ca 0.36 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1wjm s ALA 68 Cb 0.28 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1wjm s ALA 68 CO -0.02 -2.02 0.00 0.54 0.00 0.00 0.00 175.76 174.26 1wjm n ARG 69 N 7.29 -0.85 -1.72 0.00 1.74 -1.26 -4.35 116.66 117.51 1wjm n ARG 69 Ca 0.08 0.76 -0.30 0.00 -0.77 0.00 0.00 57.85 57.63 1wjm n ARG 69 Cb 0.49 -4.71 0.18 0.00 -1.02 0.00 0.00 32.46 27.40 1wjm n ARG 69 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wjm s ALA 70 N -2.22 1.91 -0.10 7.54 0.00 -1.21 -4.12 121.76 123.56 1wjm s ALA 70 Ca 0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1wjm s ALA 70 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 23.12 20.31 1wjm s ALA 70 CO 0.00 -2.56 0.25 -0.65 0.00 0.00 0.00 175.76 172.80 1wjm s GLN 71 N -5.69 0.25 -0.13 0.00 -0.21 0.20 -4.90 119.66 109.17 1wjm s GLN 71 Ca 0.71 0.45 0.02 0.00 0.02 0.00 0.00 55.36 56.56 1wjm s GLN 71 Cb -0.07 0.00 0.01 0.00 1.00 0.00 0.00 33.01 33.96 1wjm s GLN 71 CO 0.53 -0.10 -0.19 0.20 -2.12 0.00 0.00 175.29 173.61 1wjm s GLY 72 N 0.74 1.23 0.11 3.09 0.00 -1.26 0.43 107.32 111.67 1wjm s GLY 72 Ca -0.05 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1wjm s GLY 72 CO -0.05 0.11 -0.04 -0.45 0.00 0.00 0.00 173.10 172.68 1wjm s SER 73 N 0.94 1.00 0.38 1.64 0.15 -0.02 -5.00 113.70 112.78 1wjm s SER 73 Ca -0.06 -1.05 -0.17 0.00 0.70 0.00 0.00 55.95 55.37 1wjm s SER 73 Cb -0.15 0.13 -0.10 0.00 -1.71 0.00 0.00 66.02 64.19 1wjm s SER 73 CO -0.03 -0.52 0.84 -0.69 1.20 0.00 0.00 173.24 174.03 1wjm s VAL 74 N -3.71 4.56 -1.14 4.45 1.01 -1.26 0.90 120.40 125.21 1wjm s VAL 74 Ca 0.14 1.17 -0.07 0.00 0.00 0.00 0.00 61.98 63.22 1wjm s VAL 74 Cb 0.06 -3.62 0.26 0.00 0.00 0.00 0.00 36.38 33.09 1wjm s VAL 74 CO -0.03 -0.28 1.47 0.00 0.00 0.00 0.00 175.10 176.26 1wjm n ALA 75 N -0.58 4.88 -0.31 5.51 0.00 0.52 -4.55 120.51 125.98 1wjm n ALA 75 Ca 0.05 -4.63 -0.04 0.00 0.00 0.00 0.00 53.44 48.82 1wjm n ALA 75 Cb 0.54 -2.56 0.08 0.00 0.00 0.00 0.00 19.45 17.50 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 5.93 1.09 -0.99 0.00 -1.00 -1.95 -1.96 116.94 118.07 1wjm h PHE 76 Ca 0.24 0.01 0.28 0.00 2.81 0.00 0.00 57.97 61.31 1wjm h PHE 76 Cb 0.70 -0.36 -0.14 0.00 3.61 0.00 0.00 35.95 39.76 1wjm h PHE 76 CO 1.01 0.71 0.56 0.22 -1.61 0.00 0.00 178.31 179.20 1wjm h ASP 77 N 1.15 0.56 -2.97 2.17 3.58 -1.95 -3.36 116.42 115.61 1wjm h ASP 77 Ca 0.30 0.16 -0.57 0.00 0.42 0.00 0.00 57.03 57.35 1wjm h ASP 77 Cb -0.08 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1wjm h ASP 77 CO -0.06 -0.02 1.04 -0.47 -2.88 0.00 0.00 179.24 176.86 1wjm s TYR 78 N -5.74 2.41 -0.19 0.28 6.14 -0.74 -4.84 117.35 114.67 1wjm s TYR 78 Ca -0.10 0.72 -0.07 0.00 0.64 0.00 0.00 57.07 58.25 1wjm s TYR 78 Cb 0.28 -3.95 -0.09 0.00 0.42 0.00 0.00 41.96 38.62 1wjm s TYR 78 CO 0.79 -2.29 -0.23 -2.13 0.64 0.00 0.00 175.55 172.34 1wjm n ARG 79 N 7.48 0.42 -0.23 4.97 0.63 -1.26 -4.60 116.66 124.09 1wjm n ARG 79 Ca 0.17 0.16 -0.02 0.00 -0.92 0.00 0.00 57.85 57.23 1wjm n ARG 79 Cb 0.46 -1.24 0.04 0.00 0.45 0.00 0.00 32.46 32.17 1wjm n ARG 79 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1wjm h LYS 80 N -0.51 -0.08 -5.12 -0.14 6.56 -1.96 -3.36 116.57 111.97 1wjm h LYS 80 Ca -0.47 0.01 -0.62 0.00 -1.06 0.00 0.00 60.65 58.50 1wjm h LYS 80 Cb 1.49 0.02 -0.16 0.00 -0.57 0.00 0.00 32.23 33.00 1wjm h LYS 80 CO -0.24 -0.06 -0.54 1.03 -2.06 0.00 0.00 179.45 177.59 1wjm s ARG 81 N -6.10 3.97 0.60 3.15 1.81 -1.26 -5.09 118.95 116.03 1wjm s ARG 81 Ca -0.14 -0.33 -0.01 0.00 -1.72 0.00 0.00 55.73 53.53 1wjm s ARG 81 Cb 0.18 -3.41 0.05 0.00 -0.45 0.00 0.00 34.95 31.32 1wjm s ARG 81 CO 0.72 0.08 0.85 0.15 -0.68 0.00 0.00 175.30 176.41 1wjm s LYS 82 N 0.96 2.40 -1.11 3.54 1.02 -1.26 -4.51 119.74 120.78 1wjm s LYS 82 Ca 0.06 -0.69 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 1wjm s LYS 82 Cb -0.13 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 1wjm s LYS 82 CO 0.03 -0.89 0.78 -2.39 -0.92 0.00 0.00 175.35 171.97 1wjm n HIS 83 N -2.51 -1.94 -3.99 3.18 1.44 -1.26 -4.66 115.22 105.47 1wjm n HIS 83 Ca 0.08 0.48 -0.25 0.00 -2.01 0.00 0.00 57.72 56.03 1wjm n HIS 83 Cb 0.60 -3.41 -0.17 0.00 0.12 0.00 0.00 29.99 27.13 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 -3.42 0.81 -0.03 0.61 1.01 -1.26 -0.79 120.40 117.33 1wjm s VAL 84 Ca 0.44 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1wjm s VAL 84 Cb -0.16 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 1wjm s VAL 84 CO 0.86 0.32 -0.13 0.72 0.00 0.00 0.00 175.10 176.87 1wjm s PHE 85 N 1.55 1.27 -0.15 5.22 -0.71 -0.85 0.19 117.98 124.50 1wjm s PHE 85 Ca 0.01 -0.32 -0.17 0.00 -1.04 0.00 0.00 56.93 55.41 1wjm s PHE 85 Cb -0.13 -0.86 -0.04 0.00 -1.21 0.00 0.00 43.02 40.78 1wjm s PHE 85 CO -0.05 -0.10 0.44 0.21 -1.34 0.00 0.00 175.22 174.38 1wjm s LYS 86 N 0.00 4.29 -0.44 1.99 2.20 0.26 -2.34 119.74 125.70 1wjm s LYS 86 Ca -0.01 0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.89 1wjm s LYS 86 Cb -0.09 -3.46 0.11 0.00 -1.51 0.00 0.00 37.83 32.88 1wjm s LYS 86 CO 0.01 0.10 0.27 -1.17 -0.36 0.00 0.00 175.35 174.20 1wjm s LEU 87 N 0.82 5.43 -0.34 5.43 2.96 0.77 -0.84 118.68 132.92 1wjm s LEU 87 Ca 0.23 -1.93 -0.19 0.00 -0.22 0.00 0.00 54.13 52.03 1wjm s LEU 87 Cb -0.15 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 1wjm s LEU 87 CO 0.09 -0.61 0.54 -0.83 -1.32 0.00 0.00 176.35 174.22 1wjm s GLY 88 N 2.24 1.80 0.82 7.98 0.00 0.17 -1.23 107.32 119.09 1wjm s GLY 88 Ca 0.06 -0.94 -0.14 0.00 0.00 0.00 0.00 44.72 43.70 1wjm s GLY 88 CO -0.02 1.32 0.84 1.04 0.00 0.00 0.00 173.10 176.28 1wjm n LEU 89 N 5.80 0.00 -0.19 0.66 4.77 0.52 0.60 117.00 129.16 1wjm n LEU 89 Ca -0.04 -0.91 0.13 0.00 -0.03 0.00 0.00 56.01 55.17 1wjm n LEU 89 Cb 0.49 -0.72 0.38 0.00 -2.33 0.00 0.00 43.42 41.24 1wjm n LEU 89 CO 0.46 -1.61 0.64 0.00 -1.33 0.00 0.00 177.39 175.55 1wjm n GLN 90 N -3.59 0.67 -0.96 3.23 10.64 -1.26 -3.61 117.38 122.50 1wjm n GLN 90 Ca 0.11 -0.38 -0.10 0.00 -1.83 0.00 0.00 57.00 54.80 1wjm n GLN 90 Cb 0.42 -1.49 0.22 0.00 -0.86 0.00 0.00 30.24 28.52 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 -0.83 3.45 -2.80 2.61 2.03 -1.26 -4.89 116.55 114.85 1wjm n ASP 91 Ca 0.11 -3.56 -0.20 0.00 0.52 0.00 0.00 54.79 51.66 1wjm n ASP 91 Cb 0.34 -0.72 0.04 0.00 -0.72 0.00 0.00 41.12 40.06 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 -0.91 -0.37 3.31 0.27 0.00 -1.24 -3.94 105.19 102.31 1wjm n GLY 92 Ca 0.43 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.70 2.69 -0.20 1.61 1.02 -1.26 -0.70 119.74 117.20 1wjm s LYS 93 Ca 0.33 -1.22 -0.06 0.00 0.02 0.00 0.00 55.97 55.04 1wjm s LYS 93 Cb -0.14 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 1wjm s LYS 93 CO 0.40 -0.75 0.03 -1.21 -0.92 0.00 0.00 175.35 172.90 1wjm s GLU 94 N 1.46 3.72 0.03 1.68 2.02 -1.23 0.20 118.70 126.59 1wjm s GLU 94 Ca 0.01 -0.47 0.08 0.00 0.02 0.00 0.00 54.97 54.61 1wjm s GLU 94 Cb -0.20 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 1wjm s GLU 94 CO 0.04 0.06 -0.24 0.71 0.02 0.00 0.00 175.26 175.86 1wjm s TYR 95 N 0.89 2.08 -0.23 1.61 2.02 -0.37 -2.45 117.35 120.90 1wjm s TYR 95 Ca 0.02 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1wjm s TYR 95 Cb -0.14 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1wjm s TYR 95 CO 0.02 0.09 0.02 -0.51 -1.57 0.00 0.00 175.55 173.60 1wjm s LEU 96 N -1.10 3.25 0.08 -1.29 1.43 -1.12 -0.16 118.68 119.77 1wjm s LEU 96 Ca 0.10 -0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.05 1wjm s LEU 96 Cb -0.09 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 1wjm s LEU 96 CO 0.01 0.00 -0.27 -0.36 0.23 0.00 0.00 176.35 175.97 1wjm s PHE 97 N 1.38 2.30 -0.22 0.29 0.08 -0.99 -0.65 117.98 120.17 1wjm s PHE 97 Ca 0.05 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.71 1wjm s PHE 97 Cb -0.15 -1.33 0.05 0.00 -0.57 0.00 0.00 43.02 41.03 1wjm s PHE 97 CO 0.01 0.21 -0.07 -1.14 -0.10 0.00 0.00 175.22 174.13 1wjm s GLN 98 N -1.58 1.77 0.00 0.44 0.74 -1.18 -2.01 119.66 117.84 1wjm s GLN 98 Ca 0.13 -0.92 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1wjm s GLN 98 Cb -0.10 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.52 1wjm s GLN 98 CO 0.04 -0.53 0.00 0.00 -0.55 0.00 0.00 175.29 174.25 1wjm n ALA 99 N 4.68 0.00 -0.00 1.58 0.00 0.03 -3.18 120.51 123.62 1wjm n ALA 99 Ca -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wjm n ALA 99 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 1wjm n ALA 99 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wjm n LYS 100 N 0.00 2.83 -2.39 0.00 2.85 -1.26 -4.93 118.16 115.26 1wjm n LYS 100 Ca 0.00 -0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 1wjm n LYS 100 Cb 0.00 -1.01 0.01 0.00 -0.65 0.00 0.00 35.03 33.38 1wjm n LYS 100 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wjm n ASP 101 N -1.88 -1.06 0.00 -5.58 8.00 -1.26 -4.94 116.55 109.84 1wjm n ASP 101 Ca -0.01 -1.70 0.07 0.00 0.71 0.00 0.00 54.79 53.86 1wjm n ASP 101 Cb 0.37 1.75 0.32 0.00 -0.02 0.00 0.00 41.12 43.54 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 -0.28 0.08 0.00 -1.24 -0.58 -1.26 -2.69 120.64 114.67 1wjm n GLU 102 Ca -0.04 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1wjm n GLU 102 Cb 0.29 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.42 0.00 -0.30 0.62 0.00 -1.26 -2.58 120.51 115.58 1wjm n ALA 103 Ca 0.05 -0.10 0.22 0.00 0.00 0.00 0.00 53.44 53.60 1wjm n ALA 103 Cb 0.14 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.10 -0.06 0.21 0.00 4.07 -1.23 -0.48 120.64 121.04 1wjm n GLU 104 Ca 0.00 1.28 -0.09 0.00 -0.06 0.00 0.00 57.16 58.30 1wjm n GLU 104 Cb 0.00 -2.18 -0.04 0.00 -0.06 0.00 0.00 31.44 29.16 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 -0.56 -0.98 5.31 4.05 -1.70 -2.44 114.93 118.61 1wjm h MET 105 Ca 0.66 0.04 0.41 0.00 -0.28 0.00 0.00 59.70 60.52 1wjm h MET 105 Cb 1.60 0.13 -0.18 0.00 -0.80 0.00 0.00 31.60 32.35 1wjm h MET 105 CO -0.76 -0.37 0.51 0.43 0.23 0.00 0.00 176.91 176.95 1wjm n SER 106 N -4.64 0.33 0.05 1.39 7.64 0.37 0.15 113.62 118.90 1wjm n SER 106 Ca -0.07 1.63 -0.13 0.00 1.01 0.00 0.00 58.87 61.31 1wjm n SER 106 Cb 0.23 -0.79 -0.08 0.00 -1.01 0.00 0.00 64.21 62.56 1wjm n SER 106 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wjm h SER 107 N 0.00 -0.10 -0.30 6.43 0.87 -0.84 -1.96 113.55 117.66 1wjm h SER 107 Ca 0.83 -0.23 0.03 0.00 -1.23 0.00 0.00 61.79 61.19 1wjm h SER 107 Cb 2.17 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 64.10 1wjm h SER 107 CO -0.76 0.17 -0.37 -0.50 -0.53 0.00 0.00 176.83 174.84 1wjm h TRP 108 N -0.37 -1.14 -0.76 2.24 4.06 0.18 0.81 115.95 120.97 1wjm h TRP 108 Ca -0.01 0.06 0.15 0.00 2.06 0.00 0.00 58.89 61.14 1wjm h TRP 108 Cb 0.32 0.53 -0.14 0.00 -1.00 0.00 0.00 29.16 28.87 1wjm h TRP 108 CO 0.01 -0.32 -0.23 -0.07 -3.56 0.00 0.00 178.44 174.27 1wjm h LEU 109 N -0.24 -0.84 -1.32 -4.49 -0.00 -1.29 2.28 115.31 109.40 1wjm h LEU 109 Ca 0.05 0.24 0.09 0.00 -0.00 0.00 0.00 57.88 58.26 1wjm h LEU 109 Cb 0.38 0.52 -0.05 0.00 -0.00 0.00 0.00 40.66 41.50 1wjm h LEU 109 CO -0.41 -0.27 0.52 -0.09 -0.00 0.00 0.00 178.44 178.20 1wjm h ARG 110 N -0.03 0.75 0.13 1.13 2.43 0.10 0.45 114.38 119.34 1wjm h ARG 110 Ca 0.35 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1wjm h ARG 110 Cb 0.57 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1wjm h ARG 110 CO -0.79 0.50 -0.06 0.28 -1.51 0.00 0.00 179.97 178.38 1wjm h VAL 111 N 0.77 0.09 -1.06 0.20 2.07 0.80 -1.70 116.25 117.43 1wjm h VAL 111 Ca 0.36 -0.93 0.31 0.00 0.82 0.00 0.00 66.70 67.26 1wjm h VAL 111 Cb 0.39 0.17 -0.13 0.00 -1.52 0.00 0.00 31.29 30.20 1wjm h VAL 111 CO -0.14 0.03 0.64 0.58 0.02 0.00 0.00 177.57 178.71 1wjm h VAL 112 N -1.04 0.37 -0.21 2.57 2.07 0.34 1.57 116.25 121.91 1wjm h VAL 112 Ca -0.02 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 1wjm h VAL 112 Cb 0.18 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1wjm h VAL 112 CO 0.03 0.06 -0.57 0.78 0.02 0.00 0.00 177.57 177.90 1wjm h ASN 113 N 0.35 0.74 0.68 0.57 2.35 -0.16 0.36 115.58 120.47 1wjm h ASN 113 Ca 0.70 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1wjm h ASN 113 Cb 1.69 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.85 1wjm h ASN 113 CO -0.48 1.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.45 1wjm h ALA 114 N 0.86 1.00 0.09 -0.83 0.00 0.30 -1.44 119.26 119.25 1wjm h ALA 114 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.57 1wjm h ALA 114 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1wjm h ALA 114 CO 0.11 0.00 -1.94 0.00 0.00 0.00 0.00 179.25 177.42 1wjm n ALA 115 N -1.95 0.92 0.41 0.00 0.00 0.85 -3.27 120.51 117.46 1wjm n ALA 115 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 1wjm n ALA 115 Cb 0.22 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.12 0.09 0.13 0.00 2.04 -0.54 -3.16 117.51 115.95 1wjm h ILE 116 Ca -0.43 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1wjm h ILE 116 Cb 1.91 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1wjm h ILE 116 CO 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.79 1wjm h ALA 117 N -0.97 -0.90 -0.94 1.87 0.00 -1.48 -3.37 119.26 113.48 1wjm h ALA 117 Ca -0.10 -0.09 -0.38 0.00 0.00 0.00 0.00 54.91 54.34 1wjm h ALA 117 Cb 0.90 0.75 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1wjm h ALA 117 CO 0.10 -0.98 1.41 0.45 0.00 0.00 0.00 179.25 180.23 1wjm n SER 118 N -4.60 1.55 -3.65 0.00 2.88 -1.19 -4.79 113.62 103.81 1wjm n SER 118 Ca -0.06 -0.54 -0.47 0.00 -1.33 0.00 0.00 58.87 56.46 1wjm n SER 118 Cb 0.30 -1.39 -0.06 0.00 -0.75 0.00 0.00 64.21 62.31 1wjm n SER 118 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wjm n GLY 119 N 6.22 -0.41 3.57 0.46 0.00 -1.26 -4.72 105.19 109.05 1wjm n GLY 119 Ca 0.47 0.57 -0.35 0.00 0.00 0.00 0.00 46.02 46.71 1wjm n GLY 119 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wjm s PRO 120 N -0.13 3.15 -0.49 1.61 0.04 -1.26 -4.26 135.00 133.67 1wjm s PRO 120 Ca 0.71 -1.07 -0.21 0.00 0.04 0.00 0.00 61.00 60.46 1wjm s PRO 120 Cb -0.99 -5.29 0.03 0.00 0.04 0.00 0.00 34.50 28.29 1wjm s PRO 120 CO 0.46 -2.91 0.63 0.43 0.04 0.00 0.00 177.00 175.65 1wjm n SER 121 N 11.36 -7.00 -0.07 6.66 7.64 -1.26 -4.97 113.62 125.98 1wjm n SER 121 Ca 0.41 0.18 -0.07 0.00 1.01 0.00 0.00 58.87 60.39 1wjm n SER 121 Cb 0.48 -4.00 -0.04 0.00 -1.01 0.00 0.00 64.21 59.64 1wjm n SER 121 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wjm h SER 122 N 1.77 0.00 0.00 6.43 4.64 -1.97 -3.54 113.55 120.87 1wjm h SER 122 Ca -0.22 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1wjm h SER 122 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1wjm h SER 122 CO 0.23 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.64