#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmr n ASP 8 N 0.00 1.38 -4.64 4.31 5.75 -1.26 -4.89 116.55 117.20 2wmr n ASP 8 Ca 0.00 -1.29 -0.35 0.00 -0.01 0.00 0.00 54.79 53.14 2wmr n ASP 8 Cb 0.00 0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 40.05 2wmr n ASP 8 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2wmr s TRP 9 N -2.19 3.21 -0.20 2.11 0.52 -1.26 -2.16 118.94 118.95 2wmr s TRP 9 Ca 0.32 0.07 -0.07 0.00 0.02 0.00 0.00 56.10 56.44 2wmr s TRP 9 Cb 0.20 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 2wmr s TRP 9 CO 0.41 0.26 0.06 -0.51 0.02 0.00 0.00 176.95 177.18 2wmr s ASP 10 N -0.12 5.41 -0.84 2.95 1.01 -0.73 -4.89 116.67 119.46 2wmr s ASP 10 Ca 0.06 -0.03 -0.25 0.00 0.71 0.00 0.00 52.55 53.03 2wmr s ASP 10 Cb -0.12 -1.94 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 2wmr s ASP 10 CO 0.02 0.10 1.67 -0.76 0.21 0.00 0.00 175.17 176.41 2wmr s LEU 11 N 0.82 3.28 0.03 1.23 1.43 -1.26 -1.88 118.68 122.34 2wmr s LEU 11 Ca 0.03 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.27 2wmr s LEU 11 Cb -0.14 -2.56 -0.18 0.00 0.03 0.00 0.00 46.19 43.35 2wmr s LEU 11 CO 0.02 -2.17 1.49 0.58 0.23 0.00 0.00 176.35 176.51 2wmr h VAL 12 N 6.83 1.13 -2.32 -1.59 2.07 -0.62 -3.48 116.25 118.28 2wmr h VAL 12 Ca -0.02 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2wmr h VAL 12 Cb 1.05 1.49 -0.17 0.00 -1.52 0.00 0.00 31.29 32.14 2wmr h VAL 12 CO 1.28 0.14 0.31 0.00 0.02 0.00 0.00 177.57 179.32 2wmr s GLN 13 N -5.22 1.01 0.05 1.57 -2.07 -1.21 -4.99 119.66 108.80 2wmr s GLN 13 Ca -0.14 -0.11 -0.31 0.00 -1.82 0.00 0.00 55.36 52.98 2wmr s GLN 13 Cb 0.04 0.47 -0.06 0.00 -1.09 0.00 0.00 33.01 32.36 2wmr s GLN 13 CO 0.66 -0.39 1.37 0.99 -1.32 0.00 0.00 175.29 176.60 2wmr s THR 14 N -2.40 3.61 -0.25 3.63 2.01 -1.26 -0.09 115.64 120.89 2wmr s THR 14 Ca -0.02 1.09 -0.03 0.00 0.31 0.00 0.00 61.69 63.03 2wmr s THR 14 Cb -0.01 -3.70 -0.17 0.00 0.01 0.00 0.00 72.50 68.64 2wmr s THR 14 CO -0.03 0.04 -0.21 0.18 -0.69 0.00 0.00 174.62 173.92 2wmr n LEU 15 N 4.67 2.69 -3.95 4.42 4.77 0.27 -4.86 117.00 125.00 2wmr n LEU 15 Ca 0.12 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2wmr n LEU 15 Cb 0.44 -0.91 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 2wmr n LEU 15 CO 0.58 0.83 -0.25 -0.83 -1.33 0.00 0.00 177.39 176.40 2wmr s GLY 16 N -6.18 0.21 0.23 -0.72 0.00 -0.01 -4.95 107.32 95.91 2wmr s GLY 16 Ca -0.35 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2wmr s GLY 16 CO 0.59 -0.76 0.17 -0.54 0.00 0.00 0.00 173.10 172.56 2wmr s GLU 17 N -2.62 1.33 0.00 2.90 0.41 -1.26 0.31 118.70 119.77 2wmr s GLU 17 Ca -0.05 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.81 2wmr s GLU 17 Cb -0.01 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.62 2wmr s GLU 17 CO -0.05 -0.45 0.00 0.41 -0.49 0.00 0.00 175.26 174.68 2wmr n GLY 18 N -0.35 -0.12 7.00 -1.39 0.00 -1.26 -4.89 105.19 104.18 2wmr n GLY 18 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2wmr n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmr n ALA 19 N 0.15 0.00 -0.24 4.61 0.00 -1.26 -3.23 120.51 120.54 2wmr n ALA 19 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2wmr n ALA 19 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2wmr n ALA 19 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2wmr h TYR 20 N 0.00 1.05 -2.56 0.00 -0.00 -1.95 -3.47 116.97 110.04 2wmr h TYR 20 Ca 0.00 -0.10 0.08 0.00 -0.00 0.00 0.00 58.73 58.71 2wmr h TYR 20 Cb 0.00 -0.31 -0.13 0.00 -0.00 0.00 0.00 36.73 36.30 2wmr h TYR 20 CO 0.00 0.84 0.39 0.20 -0.00 0.00 0.00 178.16 179.59 2wmr s GLY 21 N -3.29 -0.46 0.50 0.10 0.00 -1.00 -3.94 107.32 99.23 2wmr s GLY 21 Ca -0.13 0.64 -0.20 0.00 0.00 0.00 0.00 44.72 45.04 2wmr s GLY 21 CO 0.82 0.21 1.04 -1.83 0.00 0.00 0.00 173.10 173.34 2wmr s GLU 22 N -3.39 3.74 -0.18 2.90 1.03 -1.25 -4.31 118.70 117.23 2wmr s GLU 22 Ca 0.05 1.34 -0.09 0.00 0.03 0.00 0.00 54.97 56.30 2wmr s GLU 22 Cb -0.01 -2.09 -0.05 0.00 -0.80 0.00 0.00 34.13 31.18 2wmr s GLU 22 CO -0.08 -0.48 0.14 0.08 -1.33 0.00 0.00 175.26 173.59 2wmr s VAL 23 N -2.04 5.43 0.16 1.83 1.01 0.92 -2.94 120.40 124.77 2wmr s VAL 23 Ca 0.67 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.94 2wmr s VAL 23 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2wmr s VAL 23 CO 0.22 0.48 -0.19 -1.10 0.00 0.00 0.00 175.10 174.52 2wmr s GLN 24 N 0.03 1.28 -0.23 2.72 -0.21 0.34 0.95 119.66 124.54 2wmr s GLN 24 Ca 0.10 -1.40 -0.19 0.00 0.02 0.00 0.00 55.36 53.90 2wmr s GLN 24 Cb -0.11 -1.36 -0.03 0.00 1.00 0.00 0.00 33.01 32.51 2wmr s GLN 24 CO -0.00 0.28 0.55 -1.17 -2.12 0.00 0.00 175.29 172.82 2wmr s LEU 25 N -2.61 4.10 -0.04 2.90 2.96 0.88 -0.30 118.68 126.56 2wmr s LEU 25 Ca 0.15 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 2wmr s LEU 25 Cb -0.06 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 2wmr s LEU 25 CO 0.07 -0.26 -0.04 0.00 -1.32 0.00 0.00 176.35 174.79 2wmr s ALA 26 N 2.06 3.10 -0.05 5.97 0.00 0.14 0.19 121.76 133.17 2wmr s ALA 26 Ca 0.24 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2wmr s ALA 26 Cb -0.16 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.70 2wmr s ALA 26 CO 0.09 0.60 -0.14 0.08 0.00 0.00 0.00 175.76 176.39 2wmr s VAL 27 N -0.92 1.25 -0.35 0.00 1.01 -0.79 -0.91 120.40 119.70 2wmr s VAL 27 Ca 0.15 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2wmr s VAL 27 Cb -0.11 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2wmr s VAL 27 CO 0.05 0.37 1.25 0.21 0.00 0.00 0.00 175.10 176.98 2wmr s ASN 28 N 0.36 6.65 0.00 3.32 3.84 -0.61 -1.78 114.94 126.73 2wmr s ASN 28 Ca -0.10 0.99 0.03 0.00 0.21 0.00 0.00 52.86 53.99 2wmr s ASN 28 Cb -0.13 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.15 2wmr s ASN 28 CO 0.03 -1.13 0.88 -2.11 -2.79 0.00 0.00 177.10 171.98 2wmr n ARG 29 N 7.45 0.04 0.00 0.43 -4.01 -0.92 0.83 116.66 120.48 2wmr n ARG 29 Ca 0.14 0.25 0.00 0.00 -1.04 0.00 0.00 57.85 57.20 2wmr n ARG 29 Cb 0.47 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.39 2wmr n ARG 29 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2wmr n VAL 30 N -1.28 0.00 0.12 8.89 0.31 -1.26 -4.72 118.33 120.39 2wmr n VAL 30 Ca 0.01 0.33 -0.02 0.00 -0.01 0.00 0.00 64.34 64.65 2wmr n VAL 30 Cb 0.02 -1.31 0.18 0.00 -0.91 0.00 0.00 33.84 31.82 2wmr n VAL 30 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2wmr h THR 31 N 0.00 1.39 0.00 2.52 1.35 -1.97 -3.47 112.91 112.73 2wmr h THR 31 Ca 0.00 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2wmr h THR 31 Cb 0.00 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2wmr h THR 31 CO 0.00 0.55 0.00 1.21 -0.25 0.00 0.00 175.52 177.03 2wmr n GLU 32 N -3.89 0.00 -1.68 4.72 2.13 0.24 -5.00 120.64 117.17 2wmr n GLU 32 Ca -0.02 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.37 2wmr n GLU 32 Cb 0.57 -2.61 -0.02 0.00 0.27 0.00 0.00 31.44 29.65 2wmr n GLU 32 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2wmr n GLU 33 N -2.38 2.05 -3.87 5.31 1.02 -1.26 -4.42 120.64 117.09 2wmr n GLU 33 Ca 0.00 0.73 -0.36 0.00 -0.02 0.00 0.00 57.16 57.51 2wmr n GLU 33 Cb 0.00 -2.34 -0.06 0.00 -0.02 0.00 0.00 31.44 29.03 2wmr n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wmr s ALA 34 N -0.55 3.90 0.22 0.62 0.00 -1.26 -1.57 121.76 123.11 2wmr s ALA 34 Ca 0.62 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 2wmr s ALA 34 Cb -0.61 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2wmr s ALA 34 CO 0.56 0.66 0.23 0.14 0.00 0.00 0.00 175.76 177.34 2wmr s VAL 35 N -1.14 0.00 -0.08 0.00 -7.23 -0.08 -4.53 120.40 107.33 2wmr s VAL 35 Ca 0.20 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 2wmr s VAL 35 Cb -0.12 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2wmr s VAL 35 CO 0.10 0.00 0.08 0.00 -0.31 0.00 0.00 175.10 174.97 2wmr s ALA 36 N -4.07 3.61 -0.12 1.32 0.00 0.19 -0.68 121.76 122.00 2wmr s ALA 36 Ca 0.35 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2wmr s ALA 36 Cb 0.05 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2wmr s ALA 36 CO 0.12 0.63 -0.18 0.08 0.00 0.00 0.00 175.76 176.41 2wmr s VAL 37 N -1.02 1.71 -0.22 0.00 1.01 0.59 -0.36 120.40 122.12 2wmr s VAL 37 Ca 0.16 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2wmr s VAL 37 Cb -0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2wmr s VAL 37 CO 0.06 0.48 0.07 -0.75 0.00 0.00 0.00 175.10 174.96 2wmr s LYS 38 N 0.96 3.80 -0.22 2.72 2.20 -0.41 -0.50 119.74 128.28 2wmr s LYS 38 Ca -0.06 -0.42 -0.06 0.00 -0.36 0.00 0.00 55.97 55.08 2wmr s LYS 38 Cb -0.15 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 2wmr s LYS 38 CO -0.03 0.02 0.02 0.42 -0.36 0.00 0.00 175.35 175.42 2wmr s ILE 39 N 1.05 3.94 -0.08 5.43 -1.09 -1.15 -1.87 121.20 127.42 2wmr s ILE 39 Ca 0.04 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.18 2wmr s ILE 39 Cb -0.14 -2.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.94 2wmr s ILE 39 CO 0.03 0.39 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.28 2wmr s VAL 40 N 1.35 1.51 -0.16 2.92 1.01 -0.94 -2.37 120.40 123.71 2wmr s VAL 40 Ca 0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2wmr s VAL 40 Cb -0.15 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2wmr s VAL 40 CO 0.01 0.44 -0.13 1.51 0.00 0.00 0.00 175.10 176.93 2wmr s ASP 41 N 0.62 3.82 0.73 3.32 -4.77 -1.25 -1.00 116.67 118.14 2wmr s ASP 41 Ca -0.15 -0.44 -0.05 0.00 -3.30 0.00 0.00 52.55 48.62 2wmr s ASP 41 Cb -0.16 -1.60 0.11 0.00 -1.09 0.00 0.00 42.92 40.18 2wmr s ASP 41 CO 0.04 0.07 1.03 -0.04 0.70 0.00 0.00 175.17 176.97 2wmr s MET 42 N 0.89 1.75 0.00 2.11 -1.94 -1.26 -4.96 119.30 115.88 2wmr s MET 42 Ca -0.03 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 2wmr s MET 42 Cb -0.15 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.46 2wmr s MET 42 CO -0.01 -1.46 0.00 0.09 -0.01 0.00 0.00 175.02 173.63 2wmr n ASN 51 N -2.95 0.00 0.09 3.03 3.02 -1.26 -5.06 115.26 112.14 2wmr n ASN 51 Ca 0.12 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.64 2wmr n ASN 51 Cb 0.60 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.93 2wmr n ASN 51 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2wmr h ILE 52 N 0.00 1.37 -0.58 2.41 6.09 -1.99 -2.27 117.51 122.53 2wmr h ILE 52 Ca 0.00 -1.84 -0.07 0.00 -1.37 0.00 0.00 64.86 61.59 2wmr h ILE 52 Cb 0.00 1.91 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 2wmr h ILE 52 CO 0.00 0.54 0.11 0.11 -3.07 0.00 0.00 178.15 175.84 2wmr h LYS 53 N 0.16 0.94 -0.24 2.19 1.57 -2.00 -2.33 116.57 116.87 2wmr h LYS 53 Ca 0.00 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 2wmr h LYS 53 Cb 1.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2wmr h LYS 53 CO 0.08 0.89 -0.48 -0.22 -0.57 0.00 0.00 179.45 179.15 2wmr h LYS 54 N 0.84 0.64 -0.64 3.15 3.64 -1.96 -1.91 116.57 120.33 2wmr h LYS 54 Ca 0.18 -0.37 0.01 0.00 -1.27 0.00 0.00 60.65 59.20 2wmr h LYS 54 Cb 0.40 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2wmr h LYS 54 CO 0.01 0.98 0.42 1.49 -2.27 0.00 0.00 179.45 180.08 2wmr h GLU 55 N 0.50 0.83 -0.29 1.90 4.81 -1.24 0.16 114.58 121.26 2wmr h GLU 55 Ca 0.03 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2wmr h GLU 55 Cb 1.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2wmr h GLU 55 CO 0.10 0.55 0.02 0.82 -0.73 0.00 0.00 179.01 179.77 2wmr h ILE 56 N 0.86 1.25 0.32 2.32 2.04 -1.34 -1.37 117.51 121.59 2wmr h ILE 56 Ca 0.24 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 2wmr h ILE 56 Cb -0.09 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2wmr h ILE 56 CO -0.06 0.28 -0.27 0.00 0.00 0.00 0.00 178.15 178.11 2wmr h ILE 58 N -0.60 0.80 -0.96 0.00 2.04 -0.72 -2.25 117.51 115.81 2wmr h ILE 58 Ca -0.02 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 65.88 2wmr h ILE 58 Cb 0.53 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 2wmr h ILE 58 CO -0.02 0.04 0.61 0.78 0.00 0.00 0.00 178.15 179.56 2wmr h ASN 59 N 0.22 0.85 -0.32 1.72 2.35 -0.85 -0.98 115.58 118.58 2wmr h ASN 59 Ca 0.19 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.03 2wmr h ASN 59 Cb 0.23 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2wmr h ASN 59 CO -0.25 0.46 0.21 0.11 -1.65 0.00 0.00 177.43 176.31 2wmr h LYS 60 N 0.91 0.25 0.00 0.81 1.79 -0.69 -2.11 116.57 117.53 2wmr h LYS 60 Ca 0.47 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.89 2wmr h LYS 60 Cb 0.52 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2wmr h LYS 60 CO -0.24 0.17 -0.17 0.52 -1.08 0.00 0.00 179.45 178.64 2wmr h MET 61 N 0.26 0.00 -6.04 3.15 2.86 -1.14 -3.46 114.93 110.55 2wmr h MET 61 Ca 0.13 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.21 2wmr h MET 61 Cb 0.21 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 2wmr h MET 61 CO -0.03 0.17 0.06 -0.51 1.06 0.00 0.00 176.91 177.67 2wmr s LEU 62 N -6.41 4.34 -0.29 1.22 1.43 -0.80 -5.04 118.68 113.14 2wmr s LEU 62 Ca 0.04 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2wmr s LEU 62 Cb 0.08 -3.04 0.14 0.00 0.03 0.00 0.00 46.19 43.40 2wmr s LEU 62 CO 0.66 -0.06 0.32 0.21 0.23 0.00 0.00 176.35 177.71 2wmr s ASN 63 N 0.55 1.41 -0.16 2.29 2.47 -1.26 -4.79 114.94 115.45 2wmr s ASN 63 Ca 0.36 -0.71 -0.26 0.00 0.42 0.00 0.00 52.86 52.67 2wmr s ASN 63 Cb -0.18 0.63 0.06 0.00 -1.45 0.00 0.00 41.25 40.31 2wmr s ASN 63 CO 0.18 -0.38 0.65 -2.28 -3.72 0.00 0.00 177.10 171.55 2wmr s HIS 64 N 2.37 -0.68 -1.45 0.43 2.46 -1.26 -5.04 115.29 112.11 2wmr s HIS 64 Ca 0.10 1.46 0.18 0.00 0.47 0.00 0.00 55.06 57.27 2wmr s HIS 64 Cb -0.14 0.30 0.90 0.00 -0.13 0.00 0.00 32.58 33.52 2wmr s HIS 64 CO -0.32 -0.45 1.53 -0.85 -2.47 0.00 0.00 174.74 172.19 2wmr n GLU 65 N 1.97 0.26 -0.32 2.88 0.00 -1.26 -1.73 120.64 122.44 2wmr n GLU 65 Ca -0.16 0.11 0.08 0.00 0.00 0.00 0.00 57.16 57.19 2wmr n GLU 65 Cb 0.56 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.71 2wmr n GLU 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2wmr n ASN 66 N -1.27 3.38 -4.14 -1.84 5.03 -1.26 -4.80 115.26 110.36 2wmr n ASN 66 Ca 0.09 -2.85 -0.25 0.00 0.87 0.00 0.00 54.58 52.44 2wmr n ASN 66 Cb 0.14 -0.46 -0.16 0.00 -1.02 0.00 0.00 39.78 38.29 2wmr n ASN 66 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2wmr s VAL 67 N -2.50 1.35 -0.07 2.41 1.01 -0.71 -0.48 120.40 121.41 2wmr s VAL 67 Ca 0.36 -0.70 -0.33 0.00 0.00 0.00 0.00 61.98 61.30 2wmr s VAL 67 Cb 0.28 -1.15 -0.11 0.00 0.00 0.00 0.00 36.38 35.40 2wmr s VAL 67 CO 0.08 0.39 1.90 0.52 0.00 0.00 0.00 175.10 177.99 2wmr n VAL 68 N 2.95 0.62 -1.96 2.92 0.31 -0.43 -4.68 118.33 118.05 2wmr n VAL 68 Ca -0.17 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 63.64 2wmr n VAL 68 Cb 0.53 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 2wmr n VAL 68 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wmr s LYS 69 N 4.17 4.24 -0.41 5.55 1.02 -1.26 -4.76 119.74 128.29 2wmr s LYS 69 Ca 0.92 2.37 -0.15 0.00 0.02 0.00 0.00 55.97 59.13 2wmr s LYS 69 Cb -0.65 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 33.61 2wmr s LYS 69 CO 0.50 -0.44 0.30 0.12 -0.92 0.00 0.00 175.35 174.92 2wmr s PHE 70 N -0.29 3.24 0.08 3.18 5.36 -1.26 -0.12 117.98 128.17 2wmr s PHE 70 Ca 0.58 -0.60 -0.15 0.00 -0.96 0.00 0.00 56.93 55.80 2wmr s PHE 70 Cb -0.43 -2.61 -0.15 0.00 -0.34 0.00 0.00 43.02 39.49 2wmr s PHE 70 CO 0.48 -0.60 1.31 1.88 -1.46 0.00 0.00 175.22 176.83 2wmr h TYR 71 N 8.63 0.90 0.00 10.12 0.05 -1.52 -3.49 116.97 131.67 2wmr h TYR 71 Ca -0.27 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.14 2wmr h TYR 71 Cb 1.12 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.71 2wmr h TYR 71 CO 0.55 1.17 0.00 0.41 -1.05 0.00 0.00 178.16 179.24 2wmr n GLY 72 N 0.58 -1.12 3.19 3.88 0.00 -1.24 -5.02 105.19 105.45 2wmr n GLY 72 Ca -0.07 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 2wmr n GLY 72 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2wmr s HIS 73 N -1.88 0.12 -0.00 1.61 -3.43 -1.26 -1.25 115.29 109.20 2wmr s HIS 73 Ca 0.00 -0.45 -0.06 0.00 -0.80 0.00 0.00 55.06 53.75 2wmr s HIS 73 Cb 0.00 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 2wmr s HIS 73 CO 0.00 -0.48 0.12 1.03 -2.00 0.00 0.00 174.74 173.41 2wmr s ARG 74 N -3.20 0.44 -0.19 -0.38 0.52 -0.67 -5.02 118.95 110.45 2wmr s ARG 74 Ca -0.00 -0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2wmr s ARG 74 Cb 0.02 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.68 2wmr s ARG 74 CO -0.07 -0.10 -0.14 1.03 0.02 0.00 0.00 175.30 176.03 2wmr s ARG 75 N -1.27 3.14 0.09 3.54 1.81 -1.26 -0.58 118.95 124.42 2wmr s ARG 75 Ca -0.14 -0.75 -0.19 0.00 -1.72 0.00 0.00 55.73 52.93 2wmr s ARG 75 Cb -0.07 -2.73 -0.08 0.00 -0.45 0.00 0.00 34.95 31.62 2wmr s ARG 75 CO 0.01 -0.19 1.57 0.93 -0.68 0.00 0.00 175.30 176.95 2wmr h GLU 76 N 7.95 0.40 -4.47 3.54 5.08 -2.00 -3.49 114.58 121.59 2wmr h GLU 76 Ca -0.43 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2wmr h GLU 76 Cb 1.15 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 2wmr h GLU 76 CO 0.62 0.52 -1.10 1.51 -1.00 0.00 0.00 179.01 179.57 2wmr n ILE 79 N -4.70-11.55 -4.56 3.13 3.06 -1.25 -5.10 119.36 98.39 2wmr n ILE 79 Ca -0.03 2.53 -0.34 0.00 -2.50 0.00 0.00 62.75 62.41 2wmr n ILE 79 Cb 0.19 -5.86 -0.12 0.00 0.54 0.00 0.00 39.64 34.39 2wmr n ILE 79 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 2wmr s GLN 80 N -0.79 3.33 -0.18 9.51 2.00 -0.17 -4.96 119.66 128.41 2wmr s GLN 80 Ca -0.12 -0.57 -0.04 0.00 -2.00 0.00 0.00 55.36 52.63 2wmr s GLN 80 Cb 0.01 -2.75 -0.02 0.00 0.80 0.00 0.00 33.01 31.05 2wmr s GLN 80 CO 0.34 0.36 -0.03 1.52 -0.50 0.00 0.00 175.29 176.97 2wmr s TYR 81 N 0.01 3.00 -0.13 1.67 -0.00 0.25 -2.22 117.35 119.93 2wmr s TYR 81 Ca -0.01 -0.47 -0.01 0.00 -0.00 0.00 0.00 57.07 56.58 2wmr s TYR 81 Cb -0.14 -2.01 -0.02 0.00 -0.00 0.00 0.00 41.96 39.79 2wmr s TYR 81 CO 0.03 -0.19 -0.10 -0.51 -0.00 0.00 0.00 175.55 174.78 2wmr s LEU 82 N 0.73 2.89 -0.32 -3.49 1.02 -0.78 -1.67 118.68 117.06 2wmr s LEU 82 Ca -0.02 -0.24 -0.13 0.00 0.02 0.00 0.00 54.13 53.77 2wmr s LEU 82 Cb -0.14 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.38 2wmr s LEU 82 CO 0.02 0.20 0.25 -0.36 0.02 0.00 0.00 176.35 176.48 2wmr s PHE 83 N 0.17 3.23 0.18 0.29 2.99 -0.38 -1.29 117.98 123.17 2wmr s PHE 83 Ca -0.06 -0.09 0.11 0.00 0.00 0.00 0.00 56.93 56.90 2wmr s PHE 83 Cb -0.15 -2.48 -0.04 0.00 0.00 0.00 0.00 43.02 40.35 2wmr s PHE 83 CO 0.04 -0.32 -0.24 -0.51 -0.00 0.00 0.00 175.22 174.19 2wmr s LEU 84 N 1.78 2.42 0.29 -0.37 1.43 0.51 -1.21 118.68 123.53 2wmr s LEU 84 Ca 0.07 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 2wmr s LEU 84 Cb -0.17 -1.16 -0.14 0.00 0.03 0.00 0.00 46.19 44.75 2wmr s LEU 84 CO 0.11 0.12 1.05 1.21 0.23 0.00 0.00 176.35 179.07 2wmr n GLU 85 N 0.35 1.43 -3.41 1.70 2.13 0.82 -0.64 120.64 123.03 2wmr n GLU 85 Ca -0.13 0.50 -0.39 0.00 0.66 0.00 0.00 57.16 57.80 2wmr n GLU 85 Cb 0.56 -1.90 -0.09 0.00 0.27 0.00 0.00 31.44 30.28 2wmr n GLU 85 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2wmr s TYR 86 N -1.02 3.29 -0.46 4.31 5.04 -1.26 -4.42 117.35 122.84 2wmr s TYR 86 Ca 0.59 0.47 -0.11 0.00 -2.44 0.00 0.00 57.07 55.58 2wmr s TYR 86 Cb -0.69 -2.54 0.10 0.00 0.35 0.00 0.00 41.96 39.18 2wmr s TYR 86 CO 0.60 -0.14 0.34 0.00 -1.34 0.00 0.00 175.55 175.02 2wmr n SER 88 N 5.00 0.47 -0.01 0.00 3.41 -1.21 -2.60 113.62 118.67 2wmr n SER 88 Ca -0.10 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.25 2wmr n SER 88 Cb 0.42 -0.70 0.81 0.00 -0.26 0.00 0.00 64.21 64.48 2wmr n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wmr n GLY 89 N 0.39 -1.15 7.00 5.00 0.00 0.42 -4.95 105.19 111.90 2wmr n GLY 89 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wmr n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmr n GLY 90 N 1.19 -0.15 3.88 -0.02 0.00 -1.07 -4.56 105.19 104.46 2wmr n GLY 90 Ca 0.18 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2wmr n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wmr s GLU 91 N 0.00 3.62 0.32 1.61 -1.05 -1.26 -0.22 118.70 121.72 2wmr s GLU 91 Ca 0.00 -0.04 0.09 0.00 -0.15 0.00 0.00 54.97 54.87 2wmr s GLU 91 Cb 0.00 -3.03 0.86 0.00 -0.44 0.00 0.00 34.13 31.52 2wmr s GLU 91 CO 0.00 0.61 1.74 1.25 0.95 0.00 0.00 175.26 179.81 2wmr h LEU 92 N 3.76 0.69 -0.91 1.83 5.85 -0.92 0.48 115.31 126.09 2wmr h LEU 92 Ca -0.49 0.12 0.35 0.00 0.84 0.00 0.00 57.88 58.71 2wmr h LEU 92 Cb 1.19 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.07 2wmr h LEU 92 CO 0.67 0.15 0.39 0.33 -0.34 0.00 0.00 178.44 179.64 2wmr n PHE 93 N -4.84 0.96 1.44 1.25 -0.00 -1.11 0.37 117.46 115.52 2wmr n PHE 93 Ca 0.26 1.08 0.07 0.00 -0.00 0.00 0.00 57.45 58.86 2wmr n PHE 93 Cb 0.71 -1.42 0.27 0.00 -0.00 0.00 0.00 39.48 39.04 2wmr n PHE 93 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2wmr n ASP 94 N -5.13 1.06 -0.63 -2.13 10.43 0.16 -2.60 116.55 117.72 2wmr n ASP 94 Ca 0.32 -1.79 0.07 0.00 2.57 0.00 0.00 54.79 55.96 2wmr n ASP 94 Cb 1.07 -0.10 0.09 0.00 1.84 0.00 0.00 41.12 44.02 2wmr n ASP 94 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2wmr n ARG 95 N -0.01 1.35 -3.60 -1.24 5.12 0.16 -4.88 116.66 113.55 2wmr n ARG 95 Ca 0.11 -1.52 -0.40 0.00 -1.93 0.00 0.00 57.85 54.11 2wmr n ARG 95 Cb 0.20 -1.29 -0.11 0.00 -1.16 0.00 0.00 32.46 30.10 2wmr n ARG 95 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2wmr s ILE 96 N -1.17 4.42 0.07 0.55 1.01 -1.07 -4.68 121.20 120.33 2wmr s ILE 96 Ca 0.19 -1.07 -0.31 0.00 0.00 0.00 0.00 60.65 59.47 2wmr s ILE 96 Cb 0.13 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 2wmr s ILE 96 CO 0.19 -0.33 1.37 -0.70 0.00 0.00 0.00 174.94 175.46 2wmr s GLU 97 N 1.50 4.33 0.20 2.79 2.12 -0.50 -4.85 118.70 124.29 2wmr s GLU 97 Ca 0.02 2.00 -0.31 0.00 0.36 0.00 0.00 54.97 57.03 2wmr s GLU 97 Cb -0.21 -3.36 -0.11 0.00 0.26 0.00 0.00 34.13 30.71 2wmr s GLU 97 CO 0.05 -0.45 1.62 -2.14 -0.54 0.00 0.00 175.26 173.79 2wmr s PRO 98 N 1.50 4.18 0.00 4.30 0.02 -1.26 -0.13 135.00 143.60 2wmr s PRO 98 Ca 0.64 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.12 2wmr s PRO 98 Cb -0.34 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2wmr s PRO 98 CO 0.29 -0.65 0.00 -3.47 -0.33 0.00 0.00 177.00 172.84 2wmr n ASP 99 N 3.70 0.00 -0.01 2.53 2.03 0.25 -4.70 116.55 120.35 2wmr n ASP 99 Ca 0.14 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.43 2wmr n ASP 99 Cb 0.37 -0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 40.68 2wmr n ASP 99 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2wmr n ILE 100 N -2.00 0.22 0.00 5.18 2.08 -0.79 -4.70 119.36 119.35 2wmr n ILE 100 Ca 0.00 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2wmr n ILE 100 Cb 0.00 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 2wmr n ILE 100 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wmr n GLY 101 N 2.92 0.93 3.60 7.39 0.00 0.81 -4.01 105.19 116.83 2wmr n GLY 101 Ca -0.04 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 2wmr n GLY 101 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wmr s MET 102 N 0.00 1.49 0.23 1.61 0.23 -0.32 -1.40 119.30 121.14 2wmr s MET 102 Ca 0.00 -0.96 -0.32 0.00 -1.03 0.00 0.00 55.69 53.39 2wmr s MET 102 Cb 0.00 0.53 -0.12 0.00 -1.53 0.00 0.00 34.83 33.71 2wmr s MET 102 CO 0.00 -0.64 1.62 -2.30 -2.03 0.00 0.00 175.02 171.67 2wmr n PRO 103 N -0.37 2.56 -0.34 3.16 -0.02 -1.26 -4.80 135.00 133.93 2wmr n PRO 103 Ca -0.07 0.92 0.14 0.00 -2.02 0.00 0.00 63.50 62.47 2wmr n PRO 103 Cb 0.62 -2.71 0.34 0.00 -0.02 0.00 0.00 33.50 31.73 2wmr n PRO 103 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wmr h GLU 104 N 5.65 0.59 -0.63 -0.52 4.81 -1.97 -0.88 114.58 121.63 2wmr h GLU 104 Ca -0.45 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2wmr h GLU 104 Cb 1.23 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2wmr h GLU 104 CO 0.87 0.39 0.37 -1.35 -0.73 0.00 0.00 179.01 178.55 2wmr h PRO 105 N 0.60 0.85 -0.33 0.92 0.11 -1.90 -0.76 132.00 131.50 2wmr h PRO 105 Ca 0.59 -0.08 -0.13 0.00 0.11 0.00 0.00 66.00 66.49 2wmr h PRO 105 Cb 1.05 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2wmr h PRO 105 CO -0.45 0.61 -0.34 -0.44 -0.21 0.00 0.00 178.00 177.17 2wmr h ASP 106 N 0.87 0.77 -0.71 -2.05 3.45 -1.54 -2.58 116.42 114.63 2wmr h ASP 106 Ca 0.23 -0.32 -0.04 0.00 0.43 0.00 0.00 57.03 57.32 2wmr h ASP 106 Cb -0.01 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.51 2wmr h ASP 106 CO -0.04 1.04 0.28 0.00 -1.57 0.00 0.00 179.24 178.96 2wmr h ALA 107 N 1.00 0.92 0.00 3.45 0.00 -0.94 -0.71 119.26 122.98 2wmr h ALA 107 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wmr h ALA 107 Cb 0.87 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wmr h ALA 107 CO 0.08 0.54 -0.00 0.37 0.00 0.00 0.00 179.25 180.24 2wmr h GLN 108 N 1.01 -0.00 -0.35 0.00 4.15 -1.11 0.29 115.11 119.09 2wmr h GLN 108 Ca 0.24 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.73 2wmr h GLN 108 Cb 0.21 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.83 2wmr h GLN 108 CO -0.02 0.32 -0.12 -0.09 -1.93 0.00 0.00 178.83 176.99 2wmr h ARG 109 N -0.32 -0.05 -0.97 1.69 2.43 -1.35 0.15 114.38 115.96 2wmr h ARG 109 Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2wmr h ARG 109 Cb 0.32 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 2wmr h ARG 109 CO 0.00 -0.03 0.64 0.74 -1.51 0.00 0.00 179.97 179.81 2wmr h PHE 110 N -0.05 1.22 -0.73 2.20 0.04 -0.98 -1.99 116.94 116.65 2wmr h PHE 110 Ca 0.18 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.91 2wmr h PHE 110 Cb 0.32 -0.41 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 2wmr h PHE 110 CO -0.35 0.76 0.21 0.35 -0.60 0.00 0.00 178.31 178.68 2wmr h PHE 111 N 1.31 1.18 -0.58 -0.55 3.57 -0.08 -0.46 116.94 121.34 2wmr h PHE 111 Ca 0.36 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2wmr h PHE 111 Cb -0.14 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.24 2wmr h PHE 111 CO -0.00 0.94 0.26 0.45 -2.23 0.00 0.00 178.31 177.73 2wmr h HIS 112 N 1.09 0.85 -0.60 0.41 3.86 -0.11 -0.05 115.15 120.59 2wmr h HIS 112 Ca 0.23 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2wmr h HIS 112 Cb 0.33 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2wmr h HIS 112 CO 0.03 0.67 0.01 1.96 0.86 0.00 0.00 177.93 181.46 2wmr h GLN 113 N 0.79 1.04 -0.50 2.45 4.20 -1.20 -1.89 115.11 120.00 2wmr h GLN 113 Ca 0.20 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2wmr h GLN 113 Cb 0.15 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2wmr h GLN 113 CO -0.02 1.01 0.23 1.25 -0.67 0.00 0.00 178.83 180.63 2wmr h LEU 114 N 0.96 0.66 -0.36 1.46 5.85 -0.74 -1.23 115.31 121.90 2wmr h LEU 114 Ca 0.17 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2wmr h LEU 114 Cb 0.53 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2wmr h LEU 114 CO 0.03 0.62 0.23 0.24 -0.34 0.00 0.00 178.44 179.22 2wmr h MET 115 N 0.66 0.47 -0.37 1.25 2.86 -0.83 -0.77 114.93 118.20 2wmr h MET 115 Ca 0.17 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2wmr h MET 115 Cb 0.14 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2wmr h MET 115 CO -0.02 0.31 0.16 0.00 1.06 0.00 0.00 176.91 178.42 2wmr h ALA 116 N 1.14 0.44 -0.46 6.32 0.00 -1.13 0.47 119.26 126.03 2wmr h ALA 116 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 2wmr h ALA 116 Cb -0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2wmr h ALA 116 CO -0.04 -0.22 0.15 0.78 0.00 0.00 0.00 179.25 179.92 2wmr h GLY 117 N 0.33 0.60 0.76 0.00 0.00 -1.05 -2.04 103.07 101.68 2wmr h GLY 117 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 2wmr h GLY 117 CO -0.14 0.00 -0.30 -2.08 0.00 0.00 0.00 176.54 174.03 2wmr h VAL 118 N 0.32 1.38 -0.72 4.60 2.07 -0.52 -2.32 116.25 121.05 2wmr h VAL 118 Ca 0.22 -1.60 0.16 0.00 0.82 0.00 0.00 66.70 66.29 2wmr h VAL 118 Cb 0.23 2.12 -0.11 0.00 -1.52 0.00 0.00 31.29 32.01 2wmr h VAL 118 CO -0.24 0.47 0.15 0.58 0.02 0.00 0.00 177.57 178.55 2wmr h VAL 119 N -0.02 0.50 0.58 2.57 2.07 -0.02 -0.30 116.25 121.63 2wmr h VAL 119 Ca -0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2wmr h VAL 119 Cb 0.91 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2wmr h VAL 119 CO 0.06 0.04 -0.30 0.22 0.02 0.00 0.00 177.57 177.62 2wmr h TYR 120 N 0.24 -0.78 -0.38 1.57 3.20 -1.24 0.19 116.97 119.77 2wmr h TYR 120 Ca 0.40 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.34 2wmr h TYR 120 Cb 0.69 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 39.15 2wmr h TYR 120 CO -0.28 -0.48 -0.10 -0.07 -1.64 0.00 0.00 178.16 175.59 2wmr h LEU 121 N -0.81 -0.37 -1.45 2.82 3.38 -0.90 -0.26 115.31 117.72 2wmr h LEU 121 Ca -0.08 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2wmr h LEU 121 Cb 0.63 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2wmr h LEU 121 CO 0.11 -0.13 -0.28 0.45 0.09 0.00 0.00 178.44 178.68 2wmr h HIS 122 N -0.01 0.00 -0.01 1.13 3.86 -0.96 0.80 115.15 119.96 2wmr h HIS 122 Ca 0.19 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.35 2wmr h HIS 122 Cb 0.29 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 2wmr h HIS 122 CO -0.35 0.28 -0.22 0.78 0.86 0.00 0.00 177.93 179.28 2wmr h GLY 123 N 0.90 0.01 -3.12 2.45 0.00 0.12 -2.32 103.07 101.11 2wmr h GLY 123 Ca -0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 47.33 46.90 2wmr h GLY 123 CO 0.04 0.01 0.05 0.29 0.00 0.00 0.00 176.54 176.92 2wmr n ILE 124 N -4.28 2.87 -1.98 2.60 -5.35 -0.81 -4.95 119.36 107.46 2wmr n ILE 124 Ca -0.02 -3.05 -0.20 0.00 -0.27 0.00 0.00 62.75 59.20 2wmr n ILE 124 Cb 0.28 -0.72 -0.05 0.00 -1.74 0.00 0.00 39.64 37.41 2wmr n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wmr n GLY 125 N -0.99 0.78 3.40 3.28 0.00 -0.87 -4.92 105.19 105.87 2wmr n GLY 125 Ca 0.46 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 2wmr n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wmr s ILE 126 N -2.89 3.42 -0.13 -0.61 1.01 0.22 -0.50 121.20 121.72 2wmr s ILE 126 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2wmr s ILE 126 Cb 0.00 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 2wmr s ILE 126 CO 0.00 0.48 -0.03 0.28 0.00 0.00 0.00 174.94 175.68 2wmr s THR 127 N 0.68 3.99 0.01 2.92 -1.32 -0.64 -3.28 115.64 117.99 2wmr s THR 127 Ca -0.04 -0.34 -0.21 0.00 -1.21 0.00 0.00 61.69 59.89 2wmr s THR 127 Cb -0.15 -2.72 -0.18 0.00 -1.51 0.00 0.00 72.50 67.94 2wmr s THR 127 CO 0.02 0.53 1.22 -0.74 -2.21 0.00 0.00 174.62 173.43 2wmr h HIS 128 N 6.23 0.42 0.00 9.09 2.76 -1.90 -1.99 115.15 129.76 2wmr h HIS 128 Ca -0.37 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 2wmr h HIS 128 Cb 1.19 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.08 2wmr h HIS 128 CO 0.55 0.87 0.00 0.54 -1.30 0.00 0.00 177.93 178.60 2wmr n ARG 129 N -4.48 0.00 -2.67 5.26 1.74 -1.26 -2.75 116.66 112.50 2wmr n ARG 129 Ca -0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 2wmr n ARG 129 Cb 0.46 -1.26 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 2wmr n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wmr n ASP 130 N 0.00 1.71 -4.66 0.55 4.64 -1.26 -3.54 116.55 113.99 2wmr n ASP 130 Ca 0.00 -2.67 -0.43 0.00 -1.38 0.00 0.00 54.79 50.31 2wmr n ASP 130 Cb 0.00 -0.51 -0.02 0.00 -1.04 0.00 0.00 41.12 39.54 2wmr n ASP 130 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2wmr s ILE 131 N -3.41 4.08 0.16 5.18 1.01 -1.26 -4.83 121.20 122.13 2wmr s ILE 131 Ca 0.29 1.29 -0.24 0.00 0.00 0.00 0.00 60.65 61.99 2wmr s ILE 131 Cb 0.43 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 39.10 2wmr s ILE 131 CO 0.01 -0.15 0.76 -1.59 0.00 0.00 0.00 174.94 173.97 2wmr s LYS 132 N 3.74 1.31 0.53 2.79 -2.85 -1.26 -4.79 119.74 119.21 2wmr s LYS 132 Ca 0.60 -0.61 0.27 0.00 -1.00 0.00 0.00 55.97 55.22 2wmr s LYS 132 Cb -0.24 0.52 1.51 0.00 -2.06 0.00 0.00 37.83 37.55 2wmr s LYS 132 CO 0.19 -0.59 2.11 -1.35 0.10 0.00 0.00 175.35 175.82 2wmr h PRO 133 N 2.00 0.00 0.00 1.78 0.11 -1.93 0.90 132.00 134.86 2wmr h PRO 133 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 2wmr h PRO 133 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wmr h PRO 133 CO 0.30 0.09 -0.02 0.93 -0.21 0.00 0.00 178.00 179.10 2wmr h GLU 134 N 0.00 0.00 -0.39 1.05 3.07 -1.95 -2.81 114.58 113.56 2wmr h GLU 134 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wmr h GLU 134 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2wmr h GLU 134 CO 0.01 0.02 0.00 0.09 -1.40 0.00 0.00 179.01 177.73 2wmr n ASN 135 N -3.17 3.36 -4.14 1.42 3.02 0.30 -4.83 115.26 111.21 2wmr n ASN 135 Ca -0.02 -2.24 -0.35 0.00 -0.03 0.00 0.00 54.58 51.94 2wmr n ASN 135 Cb 0.18 -0.34 -0.13 0.00 -0.61 0.00 0.00 39.78 38.88 2wmr n ASN 135 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wmr s LEU 136 N -1.44 4.50 0.30 3.41 1.43 -1.08 -1.25 118.68 124.56 2wmr s LEU 136 Ca 0.31 -1.64 -0.01 0.00 -1.03 0.00 0.00 54.13 51.76 2wmr s LEU 136 Cb 0.19 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2wmr s LEU 136 CO 0.16 -0.38 0.51 -0.76 0.23 0.00 0.00 176.35 176.12 2wmr s LEU 137 N 1.18 4.07 -0.08 1.79 1.43 -0.17 -0.70 118.68 126.20 2wmr s LEU 137 Ca 0.01 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 2wmr s LEU 137 Cb -0.21 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 2wmr s LEU 137 CO -0.03 -0.22 -0.18 -0.76 0.23 0.00 0.00 176.35 175.39 2wmr s LEU 138 N -3.95 2.45 0.00 1.79 1.43 0.69 -0.27 118.68 120.82 2wmr s LEU 138 Ca 0.40 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2wmr s LEU 138 Cb -0.10 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2wmr s LEU 138 CO 0.33 0.25 0.00 -0.90 0.23 0.00 0.00 176.35 176.26 2wmr n ASP 139 N 2.94 0.00 0.10 2.29 3.85 -0.14 -0.43 116.55 125.16 2wmr n ASP 139 Ca -0.18 -0.02 -0.04 0.00 -0.71 0.00 0.00 54.79 53.84 2wmr n ASP 139 Cb 0.52 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.43 2wmr n ASP 139 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 2wmr h GLU 140 N 0.00 0.16 -0.71 0.11 9.09 -1.90 -2.75 114.58 118.59 2wmr h GLU 140 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 59.36 59.30 2wmr h GLU 140 Cb 0.00 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2wmr h GLU 140 CO 0.00 0.72 0.00 0.54 0.05 0.00 0.00 179.01 180.32 2wmr n ARG 141 N -3.85 3.37 -2.74 1.06 1.74 -1.26 -4.89 116.66 110.09 2wmr n ARG 141 Ca -0.02 -1.99 -0.22 0.00 -0.77 0.00 0.00 57.85 54.85 2wmr n ARG 141 Cb 0.62 -1.93 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 2wmr n ARG 141 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wmr n ASP 142 N 0.45 -5.96 -4.76 0.55 9.92 -1.04 -4.98 116.55 110.74 2wmr n ASP 142 Ca 0.18 -0.16 -0.40 0.00 -0.53 0.00 0.00 54.79 53.88 2wmr n ASP 142 Cb 0.81 -4.89 -0.06 0.00 -0.64 0.00 0.00 41.12 36.35 2wmr n ASP 142 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2wmr s ASN 143 N -2.39 7.48 0.13 -2.24 0.01 -1.26 -4.79 114.94 111.89 2wmr s ASN 143 Ca 0.16 1.76 -0.20 0.00 -0.71 0.00 0.00 52.86 53.87 2wmr s ASN 143 Cb -0.07 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 38.96 2wmr s ASN 143 CO 0.20 0.13 0.65 -0.22 -1.51 0.00 0.00 177.10 176.35 2wmr s LEU 144 N -0.88 4.49 -0.05 0.60 0.20 -1.26 -0.96 118.68 120.81 2wmr s LEU 144 Ca 0.40 1.37 -0.00 0.00 0.69 0.00 0.00 54.13 56.58 2wmr s LEU 144 Cb -0.24 -3.17 0.03 0.00 -0.43 0.00 0.00 46.19 42.37 2wmr s LEU 144 CO 0.29 0.19 0.00 -0.54 -0.29 0.00 0.00 176.35 176.00 2wmr s LYS 145 N -1.39 0.44 0.04 1.98 -0.14 0.63 -4.38 119.74 116.92 2wmr s LYS 145 Ca 0.34 0.10 -0.31 0.00 -1.36 0.00 0.00 55.97 54.75 2wmr s LYS 145 Cb -0.19 -0.72 -0.06 0.00 -1.68 0.00 0.00 37.83 35.18 2wmr s LYS 145 CO 0.21 -0.22 1.33 0.42 -0.76 0.00 0.00 175.35 176.33 2wmr s ILE 146 N 1.52 3.73 0.18 2.17 1.01 0.37 -1.00 121.20 129.18 2wmr s ILE 146 Ca -0.02 1.19 0.09 0.00 0.00 0.00 0.00 60.65 61.91 2wmr s ILE 146 Cb -0.13 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2wmr s ILE 146 CO -0.03 0.05 -0.19 -0.55 0.00 0.00 0.00 174.94 174.22 2wmr s SER 147 N 1.41 2.91 -0.11 3.58 0.15 -0.38 -1.31 113.70 119.95 2wmr s SER 147 Ca 0.62 -0.88 -0.08 0.00 0.70 0.00 0.00 55.95 56.31 2wmr s SER 147 Cb -0.32 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 2wmr s SER 147 CO 0.28 -0.00 0.15 -0.67 1.20 0.00 0.00 173.24 174.20 2wmr n ASP 148 N 0.18 -2.95 -1.09 5.45 4.64 -1.26 -4.84 116.55 116.67 2wmr n ASP 148 Ca -0.12 1.29 0.08 0.00 -1.38 0.00 0.00 54.79 54.67 2wmr n ASP 148 Cb 0.57 -4.66 0.26 0.00 -1.04 0.00 0.00 41.12 36.26 2wmr n ASP 148 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 2wmr n PHE 149 N 1.50 0.94 0.33 -0.67 3.01 -1.26 -4.58 117.46 116.73 2wmr n PHE 149 Ca -0.26 -0.60 0.21 0.00 1.01 0.00 0.00 57.45 57.81 2wmr n PHE 149 Cb 0.40 -0.14 1.10 0.00 -0.01 0.00 0.00 39.48 40.83 2wmr n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2wmr h GLY 150 N 2.98 0.00 -0.50 1.37 0.00 -1.90 -0.25 103.07 104.76 2wmr h GLY 150 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wmr h GLY 150 CO 0.11 0.00 -0.19 1.04 0.00 0.00 0.00 176.54 177.50 2wmr n LEU 151 N -3.07 1.29 -4.75 3.11 4.77 -1.26 -4.85 117.00 112.24 2wmr n LEU 151 Ca -0.03 -0.79 -0.36 0.00 -0.03 0.00 0.00 56.01 54.81 2wmr n LEU 151 Cb 0.16 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2wmr n LEU 151 CO 0.19 0.26 0.83 0.00 -1.33 0.00 0.00 177.39 177.34 2wmr s ALA 152 N -1.33 2.45 0.13 -1.18 0.00 -0.11 -4.66 121.76 117.06 2wmr s ALA 152 Ca 0.09 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 2wmr s ALA 152 Cb 0.08 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.74 2wmr s ALA 152 CO 0.25 -1.34 0.26 -0.08 0.00 0.00 0.00 175.76 174.85 2wmr s THR 153 N -1.69 0.09 0.02 0.00 -1.32 -0.75 -4.93 115.64 107.06 2wmr s THR 153 Ca 0.77 -1.26 -0.27 0.00 -1.21 0.00 0.00 61.69 59.72 2wmr s THR 153 Cb -0.30 -1.61 -0.04 0.00 -1.51 0.00 0.00 72.50 69.03 2wmr s THR 153 CO 0.36 -0.43 0.87 -0.69 -2.21 0.00 0.00 174.62 172.52 2wmr s VAL 154 N -3.92 4.81 0.00 5.08 1.01 -1.26 -1.62 120.40 124.49 2wmr s VAL 154 Ca 0.12 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2wmr s VAL 154 Cb 0.04 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2wmr s VAL 154 CO -0.05 0.26 0.03 2.22 0.00 0.00 0.00 175.10 177.56 2wmr n PHE 155 N 3.42 0.00 -3.73 5.22 -1.74 0.34 -4.89 117.46 116.08 2wmr n PHE 155 Ca 0.02 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.75 2wmr n PHE 155 Cb 0.51 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.35 2wmr n PHE 155 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 2wmr s ARG 156 N -0.91 -0.00 -0.04 3.97 3.52 -1.13 -0.76 118.95 123.60 2wmr s ARG 156 Ca 0.00 0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.89 2wmr s ARG 156 Cb 0.00 -0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.13 2wmr s ARG 156 CO 0.00 -0.21 0.09 -0.47 -0.81 0.00 0.00 175.30 173.90 2wmr s TYR 157 N 1.44 -0.09 -1.52 5.12 5.04 -0.52 -4.48 117.35 122.34 2wmr s TYR 157 Ca -0.05 0.28 -0.13 0.00 -2.44 0.00 0.00 57.07 54.73 2wmr s TYR 157 Cb -0.12 -0.05 0.09 0.00 0.35 0.00 0.00 41.96 42.23 2wmr s TYR 157 CO -0.04 -0.09 0.85 0.09 -1.34 0.00 0.00 175.55 175.03 2wmr n ASN 158 N 3.58 -4.54 -1.32 4.32 3.02 -1.26 -0.59 115.26 118.47 2wmr n ASN 158 Ca -0.19 -0.71 -0.17 0.00 -0.03 0.00 0.00 54.58 53.47 2wmr n ASN 158 Cb 0.56 -3.65 -0.07 0.00 -0.61 0.00 0.00 39.78 36.00 2wmr n ASN 158 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wmr n ASN 159 N -2.69 -5.09 -4.28 6.41 5.15 -1.26 -4.97 115.26 108.53 2wmr n ASN 159 Ca 0.03 0.43 -0.34 0.00 -0.60 0.00 0.00 54.58 54.10 2wmr n ASN 159 Cb 0.53 -4.11 -0.15 0.00 -0.53 0.00 0.00 39.78 35.52 2wmr n ASN 159 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2wmr s ARG 160 N -3.46 3.27 -0.02 1.20 6.06 0.24 -5.10 118.95 121.13 2wmr s ARG 160 Ca 0.00 -0.71 -0.21 0.00 -2.50 0.00 0.00 55.73 52.31 2wmr s ARG 160 Cb 0.00 -2.73 -0.05 0.00 0.06 0.00 0.00 34.95 32.23 2wmr s ARG 160 CO 0.00 -0.04 0.60 -2.00 -2.50 0.00 0.00 175.30 171.36 2wmr s GLU 161 N 0.98 4.33 -0.22 5.12 2.12 -1.26 -1.44 118.70 128.33 2wmr s GLU 161 Ca -0.02 0.73 -0.05 0.00 0.36 0.00 0.00 54.97 55.99 2wmr s GLU 161 Cb -0.15 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 2wmr s GLU 161 CO -0.02 0.31 0.01 1.03 -0.54 0.00 0.00 175.26 176.05 2wmr s ARG 162 N 0.01 3.55 0.68 4.30 0.52 0.06 -4.99 118.95 123.07 2wmr s ARG 162 Ca 0.31 -0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 54.81 2wmr s ARG 162 Cb -0.18 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.17 2wmr s ARG 162 CO 0.17 -0.12 1.25 -0.51 0.02 0.00 0.00 175.30 176.11 2wmr s LEU 163 N 1.36 3.47 0.33 2.53 1.43 -1.26 -4.76 118.68 121.78 2wmr s LEU 163 Ca 0.04 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2wmr s LEU 163 Cb -0.15 -4.61 -0.03 0.00 0.03 0.00 0.00 46.19 41.43 2wmr s LEU 163 CO 0.01 -2.09 0.53 -0.76 0.23 0.00 0.00 176.35 174.26 2wmr s LEU 164 N -4.67 4.05 0.00 1.79 1.43 0.21 -4.86 118.68 116.64 2wmr s LEU 164 Ca 0.79 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2wmr s LEU 164 Cb -0.34 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2wmr s LEU 164 CO 0.41 -0.26 0.00 -0.46 0.23 0.00 0.00 176.35 176.28 2wmr n ASN 165 N -1.63 0.00 -4.76 2.29 0.23 -1.26 -1.53 115.26 108.59 2wmr n ASN 165 Ca -0.05 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.60 2wmr n ASN 165 Cb 0.56 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.22 2wmr n ASN 165 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wmr s LYS 166 N -0.42 4.51 -0.34 -3.83 1.02 -1.26 -4.88 119.74 114.54 2wmr s LYS 166 Ca 0.00 1.90 -0.22 0.00 0.02 0.00 0.00 55.97 57.67 2wmr s LYS 166 Cb 0.00 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.21 2wmr s LYS 166 CO 0.00 0.06 0.73 -1.64 -0.92 0.00 0.00 175.35 173.58 2wmr s MET 167 N -1.63 3.79 0.39 1.68 -1.94 -1.26 -5.04 119.30 115.29 2wmr s MET 167 Ca 0.47 0.29 0.04 0.00 -1.71 0.00 0.00 55.69 54.78 2wmr s MET 167 Cb -0.34 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 32.68 2wmr s MET 167 CO 0.43 -0.75 0.07 0.00 -0.01 0.00 0.00 175.02 174.76 2wmr n GLY 169 N -0.87 -1.52 2.91 0.00 0.00 -1.23 -4.97 105.19 99.50 2wmr n GLY 169 Ca -0.06 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 2wmr n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wmr s THR 170 N 0.00 0.72 0.26 2.61 2.01 -1.26 -5.04 115.64 114.94 2wmr s THR 170 Ca 0.00 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2wmr s THR 170 Cb 0.00 -0.74 0.25 0.00 0.01 0.00 0.00 72.50 72.03 2wmr s THR 170 CO 0.00 0.28 1.70 -0.07 -0.69 0.00 0.00 174.62 175.84 2wmr h LEU 171 N 7.46 0.19 -1.26 4.42 3.38 -1.94 0.16 115.31 127.72 2wmr h LEU 171 Ca -0.32 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2wmr h LEU 171 Cb 1.15 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2wmr h LEU 171 CO 0.43 0.01 -0.27 -0.65 0.09 0.00 0.00 178.44 178.05 2wmr h PRO 172 N 0.36 0.00 -0.00 1.13 0.11 -1.69 -2.85 132.00 129.05 2wmr h PRO 172 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2wmr h PRO 172 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2wmr h PRO 172 CO -0.50 0.27 -0.52 0.66 -0.21 0.00 0.00 178.00 177.71 2wmr n TYR 173 N -3.60 0.00 -2.40 0.65 4.01 -0.07 -4.87 117.16 110.89 2wmr n TYR 173 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 2wmr n TYR 173 Cb 0.41 -0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 2wmr n TYR 173 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wmr s VAL 174 N -2.80 3.39 0.52 -0.72 1.01 -0.55 -3.72 120.40 117.53 2wmr s VAL 174 Ca 0.15 1.34 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 2wmr s VAL 174 Cb 0.18 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 2wmr s VAL 174 CO 0.67 0.30 1.08 0.00 0.00 0.00 0.00 175.10 177.14 2wmr s ALA 175 N -0.90 2.78 0.21 5.51 0.00 -1.26 -4.47 121.76 123.63 2wmr s ALA 175 Ca 0.47 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 2wmr s ALA 175 Cb -0.33 -3.30 0.16 0.00 0.00 0.00 0.00 23.12 19.65 2wmr s ALA 175 CO 0.42 -0.55 1.80 -1.00 0.00 0.00 0.00 175.76 176.43 2wmr h PRO 176 N 1.30 1.17 -0.52 0.00 0.13 -1.88 -2.93 132.00 129.27 2wmr h PRO 176 Ca -0.49 -0.18 0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2wmr h PRO 176 Cb 1.24 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 2wmr h PRO 176 CO 0.58 0.91 0.35 1.05 -0.23 0.00 0.00 178.00 180.66 2wmr h GLU 177 N 1.14 0.26 0.00 0.86 9.09 -1.91 0.34 114.58 124.35 2wmr h GLU 177 Ca 0.27 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.66 2wmr h GLU 177 Cb 0.14 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.19 2wmr h GLU 177 CO -0.03 0.17 -0.02 1.25 0.05 0.00 0.00 179.01 180.43 2wmr h LEU 178 N 0.26 0.00 0.00 3.06 6.46 -1.82 0.14 115.31 123.41 2wmr h LEU 178 Ca 0.24 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.77 2wmr h LEU 178 Cb 0.60 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 2wmr h LEU 178 CO -0.05 0.02 -1.76 0.18 -0.62 0.00 0.00 178.44 176.22 2wmr n LEU 179 N -3.20 0.59 -0.22 2.25 4.77 0.08 -4.54 117.00 116.73 2wmr n LEU 179 Ca -0.02 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.27 2wmr n LEU 179 Cb 0.18 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2wmr n LEU 179 CO 0.24 0.27 0.23 2.29 -1.33 0.00 0.00 177.39 179.09 2wmr n LYS 180 N -2.84 1.90 -4.68 3.23 2.85 -0.88 -5.02 118.16 112.71 2wmr n LYS 180 Ca -0.16 -0.63 -0.29 0.00 -1.05 0.00 0.00 58.31 56.18 2wmr n LYS 180 Cb 0.94 -1.06 -0.14 0.00 -0.65 0.00 0.00 35.03 34.12 2wmr n LYS 180 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2wmr s ARG 181 N -1.17 1.60 0.16 -1.58 0.52 0.43 -5.02 118.95 113.89 2wmr s ARG 181 Ca 0.08 -1.19 -0.06 0.00 -0.52 0.00 0.00 55.73 54.04 2wmr s ARG 181 Cb 0.07 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.65 2wmr s ARG 181 CO 0.20 0.47 1.42 -0.09 0.02 0.00 0.00 175.30 177.32 2wmr h ARG 182 N 4.45 0.59 -4.51 3.54 2.43 -1.94 -3.45 114.38 115.49 2wmr h ARG 182 Ca -0.48 -0.44 -0.25 0.00 -0.81 0.00 0.00 59.98 58.00 2wmr h ARG 182 Cb 1.15 0.08 -0.20 0.00 -0.42 0.00 0.00 29.97 30.58 2wmr h ARG 182 CO 0.42 1.06 -0.72 -1.21 -1.51 0.00 0.00 179.97 178.01 2wmr s GLU 183 N -3.80 0.55 0.05 0.20 2.02 -1.26 -4.39 118.70 112.07 2wmr s GLU 183 Ca -0.08 -0.84 -0.23 0.00 0.02 0.00 0.00 54.97 53.84 2wmr s GLU 183 Cb 0.10 -0.22 0.06 0.00 0.10 0.00 0.00 34.13 34.16 2wmr s GLU 183 CO 0.86 0.02 0.54 -0.59 0.02 0.00 0.00 175.26 176.12 2wmr s PHE 184 N -1.79 -0.46 0.40 1.61 -0.12 -0.59 -4.95 117.98 112.08 2wmr s PHE 184 Ca -0.07 0.53 -0.26 0.00 -0.05 0.00 0.00 56.93 57.09 2wmr s PHE 184 Cb -0.07 0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 42.60 2wmr s PHE 184 CO -0.01 -0.66 1.24 -1.01 -0.05 0.00 0.00 175.22 174.74 2wmr s HIS 185 N -2.41 2.93 0.07 3.49 3.76 -1.26 -0.62 115.29 121.26 2wmr s HIS 185 Ca -0.05 1.48 -0.15 0.00 -0.15 0.00 0.00 55.06 56.19 2wmr s HIS 185 Cb -0.01 -3.55 -0.21 0.00 1.11 0.00 0.00 32.58 29.92 2wmr s HIS 185 CO -0.01 -1.75 1.21 0.00 -0.85 0.00 0.00 174.74 173.34 2wmr h ALA 186 N 2.67 0.17 0.11 -1.40 0.00 -1.96 -3.37 119.26 115.48 2wmr h ALA 186 Ca -0.49 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 53.77 2wmr h ALA 186 Cb 1.24 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wmr h ALA 186 CO 0.63 0.63 -0.08 0.93 0.00 0.00 0.00 179.25 181.36 2wmr h GLU 187 N 0.36 -0.19 -0.02 0.00 5.08 -1.99 -2.26 114.58 115.56 2wmr h GLU 187 Ca -0.10 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2wmr h GLU 187 Cb 1.56 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 2wmr h GLU 187 CO 0.18 -0.12 0.03 -1.35 -1.00 0.00 0.00 179.01 176.75 2wmr h PRO 188 N -0.19 0.00 -0.20 2.33 0.11 -1.90 -1.73 132.00 130.42 2wmr h PRO 188 Ca -0.01 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 2wmr h PRO 188 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 2wmr h PRO 188 CO -0.00 0.00 -0.25 0.28 -0.21 0.00 0.00 178.00 177.82 2wmr h VAL 189 N 0.00 1.33 -0.30 3.15 2.07 -1.57 -0.86 116.25 120.08 2wmr h VAL 189 Ca 0.01 -1.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 2wmr h VAL 189 Cb 0.07 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2wmr h VAL 189 CO -0.00 0.44 -0.07 0.44 0.02 0.00 0.00 177.57 178.40 2wmr h ASP 190 N 0.19 0.45 -0.31 0.57 3.32 -1.16 -2.61 116.42 116.86 2wmr h ASP 190 Ca 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2wmr h ASP 190 Cb 0.81 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2wmr h ASP 190 CO 0.06 0.57 0.08 0.58 -1.72 0.00 0.00 179.24 178.81 2wmr h VAL 191 N 0.45 1.21 -0.01 -1.35 2.07 -1.14 -2.05 116.25 115.43 2wmr h VAL 191 Ca 0.09 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2wmr h VAL 191 Cb 0.40 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2wmr h VAL 191 CO 0.02 0.23 -0.16 -0.25 0.02 0.00 0.00 177.57 177.44 2wmr h TRP 192 N 0.34 -0.41 0.00 1.57 2.91 -1.03 -1.83 115.95 117.50 2wmr h TRP 192 Ca 0.10 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 2wmr h TRP 192 Cb 0.28 0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.11 2wmr h TRP 192 CO 0.01 -0.23 -0.14 0.66 -1.03 0.00 0.00 178.44 177.71 2wmr h SER 193 N -0.26 0.00 -0.17 2.65 4.64 -1.42 -0.51 113.55 118.48 2wmr h SER 193 Ca 0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2wmr h SER 193 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2wmr h SER 193 CO -0.16 0.14 -0.30 0.00 -0.87 0.00 0.00 176.83 175.64 2wmr h GLY 195 N 0.99 0.17 0.58 0.00 0.00 -0.33 0.32 103.07 104.80 2wmr h GLY 195 Ca 0.07 -0.09 0.12 0.00 0.00 0.00 0.00 47.33 47.43 2wmr h GLY 195 CO 0.07 0.08 0.59 -2.22 0.00 0.00 0.00 176.54 175.06 2wmr h ILE 196 N 0.02 0.90 -0.50 2.60 1.08 -1.29 0.21 117.51 120.54 2wmr h ILE 196 Ca 0.04 -0.29 -0.09 0.00 -0.39 0.00 0.00 64.86 64.12 2wmr h ILE 196 Cb 0.16 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.88 2wmr h ILE 196 CO -0.00 0.15 -0.06 0.58 -0.69 0.00 0.00 178.15 178.13 2wmr h VAL 197 N 0.84 1.27 -0.73 1.67 2.07 -0.69 -1.53 116.25 119.15 2wmr h VAL 197 Ca 0.45 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2wmr h VAL 197 Cb 0.55 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2wmr h VAL 197 CO -0.21 0.41 0.45 0.25 0.02 0.00 0.00 177.57 178.49 2wmr h LEU 198 N 0.78 0.87 -0.36 2.57 5.85 -0.05 -1.10 115.31 123.87 2wmr h LEU 198 Ca 0.13 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2wmr h LEU 198 Cb 0.60 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2wmr h LEU 198 CO 0.04 0.66 0.15 0.74 -0.34 0.00 0.00 178.44 179.69 2wmr h THR 199 N 0.99 0.94 -0.79 1.05 2.02 -0.80 -1.79 112.91 114.53 2wmr h THR 199 Ca 0.26 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2wmr h THR 199 Cb -0.05 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 2wmr h THR 199 CO -0.05 0.06 0.43 0.00 0.37 0.00 0.00 175.52 176.33 2wmr h ALA 200 N 1.21 1.27 -0.05 6.16 0.00 -0.79 -1.60 119.26 125.46 2wmr h ALA 200 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2wmr h ALA 200 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2wmr h ALA 200 CO -0.13 0.60 -0.32 0.52 0.00 0.00 0.00 179.25 179.91 2wmr h MET 201 N 1.11 0.09 -0.00 0.00 2.07 -0.69 0.44 114.93 117.95 2wmr h MET 201 Ca 0.28 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.88 2wmr h MET 201 Cb 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 2wmr h MET 201 CO -0.04 0.41 -0.89 1.28 1.07 0.00 0.00 176.91 178.74 2wmr n LEU 202 N -4.13 1.19 0.00 1.22 4.77 -0.72 -1.17 117.00 118.15 2wmr n LEU 202 Ca -0.02 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 2wmr n LEU 202 Cb 0.39 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2wmr n LEU 202 CO 0.39 0.27 0.01 0.00 -1.33 0.00 0.00 177.39 176.73 2wmr n ALA 203 N -1.22 0.33 -1.72 -1.18 0.00 -0.65 -4.68 120.51 111.39 2wmr n ALA 203 Ca 0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 2wmr n ALA 203 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 2wmr n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wmr n GLY 204 N 0.13 1.09 3.20 0.00 0.00 0.14 -3.47 105.19 106.29 2wmr n GLY 204 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wmr n GLY 204 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wmr s GLU 205 N -3.84 0.78 0.06 1.61 -1.05 -1.26 -0.58 118.70 114.41 2wmr s GLU 205 Ca 0.00 -0.74 -0.19 0.00 -0.15 0.00 0.00 54.97 53.89 2wmr s GLU 205 Cb 0.00 0.32 -0.06 0.00 -0.44 0.00 0.00 34.13 33.95 2wmr s GLU 205 CO 0.00 -0.24 0.55 -0.51 0.95 0.00 0.00 175.26 176.01 2wmr s LEU 206 N -2.40 4.51 0.33 1.83 1.43 -1.26 -4.10 118.68 119.02 2wmr s LEU 206 Ca -0.01 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 2wmr s LEU 206 Cb 0.01 -2.85 0.57 0.00 0.03 0.00 0.00 46.19 43.95 2wmr s LEU 206 CO -0.07 0.27 1.77 1.55 0.23 0.00 0.00 176.35 180.10 2wmr h PRO 207 N 4.65 0.19 -3.04 1.29 0.13 -1.93 -3.47 132.00 129.82 2wmr h PRO 207 Ca -0.50 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 2wmr h PRO 207 Cb 1.21 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2wmr h PRO 207 CO 0.64 0.52 0.19 1.67 -0.23 0.00 0.00 178.00 180.79 2wmr s TRP 208 N -4.27 -0.44 0.12 1.56 -2.14 -1.26 -4.70 118.94 107.81 2wmr s TRP 208 Ca -0.04 0.17 -0.15 0.00 2.66 0.00 0.00 56.10 58.74 2wmr s TRP 208 Cb 0.14 0.56 -0.04 0.00 -3.10 0.00 0.00 33.47 31.03 2wmr s TRP 208 CO 0.76 -0.91 1.54 -0.44 -2.66 0.00 0.00 176.95 175.23 2wmr h ASP 209 N 2.03 0.69 -4.99 -2.66 3.32 -1.92 -3.41 116.42 109.47 2wmr h ASP 209 Ca -0.31 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.37 2wmr h ASP 209 Cb 1.29 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.51 2wmr h ASP 209 CO 0.36 0.87 0.21 0.00 -1.72 0.00 0.00 179.24 178.95 2wmr s GLN 210 N -4.87 1.20 -1.31 3.56 -2.07 -1.26 -2.28 119.66 112.63 2wmr s GLN 210 Ca -0.13 -0.22 -0.11 0.00 -1.82 0.00 0.00 55.36 53.08 2wmr s GLN 210 Cb 0.10 0.56 0.14 0.00 -1.09 0.00 0.00 33.01 32.71 2wmr s GLN 210 CO 0.80 -0.48 1.88 -0.35 -1.32 0.00 0.00 175.29 175.81 2wmr n PRO 211 N 0.06 3.42 -4.38 9.60 -0.04 -1.26 -4.81 135.00 137.58 2wmr n PRO 211 Ca -0.18 -3.39 -0.20 0.00 -0.04 0.00 0.00 63.50 59.70 2wmr n PRO 211 Cb 0.62 -3.04 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 2wmr n PRO 211 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wmr s SER 212 N 1.73 2.70 0.29 3.54 1.04 -1.26 -4.52 113.70 117.22 2wmr s SER 212 Ca 0.42 -1.09 0.07 0.00 0.48 0.00 0.00 55.95 55.83 2wmr s SER 212 Cb 0.08 -0.16 0.44 0.00 0.10 0.00 0.00 66.02 66.49 2wmr s SER 212 CO -0.01 -0.23 1.69 0.44 0.98 0.00 0.00 173.24 176.11 2wmr h ASP 213 N 2.43 0.23 0.00 7.02 3.32 -1.98 -1.96 116.42 125.48 2wmr h ASP 213 Ca -0.39 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2wmr h ASP 213 Cb 1.23 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2wmr h ASP 213 CO 0.64 0.65 0.18 -1.54 -1.72 0.00 0.00 179.24 177.45 2wmr n SER 214 N -4.00 0.41 -4.57 6.45 3.41 -1.26 -4.57 113.62 109.49 2wmr n SER 214 Ca -0.02 0.63 -0.39 0.00 -0.26 0.00 0.00 58.87 58.83 2wmr n SER 214 Cb 0.50 -0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 2wmr n SER 214 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wmr h GLN 216 N 8.37 0.06 -0.79 0.00 5.75 -1.86 -1.98 115.11 124.65 2wmr h GLN 216 Ca -0.32 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.20 2wmr h GLN 216 Cb 1.17 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.66 2wmr h GLN 216 CO 0.62 0.04 0.51 0.93 -2.65 0.00 0.00 178.83 178.29 2wmr h GLU 217 N 0.06 0.99 -0.59 1.69 3.07 -1.94 -0.45 114.58 117.41 2wmr h GLU 217 Ca 0.08 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 2wmr h GLU 217 Cb 0.09 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2wmr h GLU 217 CO -0.13 0.65 0.01 -0.92 -1.40 0.00 0.00 179.01 177.22 2wmr h TYR 218 N 1.02 1.13 -0.45 4.33 3.20 -1.78 -2.25 116.97 122.17 2wmr h TYR 218 Ca 0.31 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2wmr h TYR 218 Cb -0.03 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.92 2wmr h TYR 218 CO -0.03 1.00 0.15 0.77 -1.64 0.00 0.00 178.16 178.42 2wmr h SER 219 N 0.94 0.59 -0.60 -2.11 0.02 -0.63 -1.54 113.55 110.22 2wmr h SER 219 Ca 0.17 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2wmr h SER 219 Cb 0.55 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2wmr h SER 219 CO 0.03 0.56 0.01 0.44 -1.14 0.00 0.00 176.83 176.73 2wmr h ASP 220 N 0.64 1.04 -0.24 3.07 3.45 -0.82 -2.12 116.42 121.44 2wmr h ASP 220 Ca 0.15 -0.30 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 2wmr h ASP 220 Cb 0.18 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2wmr h ASP 220 CO -0.01 1.09 0.10 -0.25 -1.57 0.00 0.00 179.24 178.60 2wmr h TRP 221 N 0.96 0.36 -0.01 4.55 2.91 -0.79 -1.39 115.95 122.54 2wmr h TRP 221 Ca 0.17 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 2wmr h TRP 221 Cb 0.55 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2wmr h TRP 221 CO 0.04 0.37 -0.01 0.87 -1.03 0.00 0.00 178.44 178.69 2wmr h LYS 222 N 0.24 0.01 -0.00 2.65 1.57 -1.21 0.92 116.57 120.75 2wmr h LYS 222 Ca 0.08 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2wmr h LYS 222 Cb 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2wmr h LYS 222 CO -0.01 0.02 -0.18 0.39 -0.57 0.00 0.00 179.45 179.10 2wmr n GLU 223 N -4.52 0.05 -1.11 3.15 1.02 -0.81 -4.94 120.64 113.48 2wmr n GLU 223 Ca -0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2wmr n GLU 223 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2wmr n GLU 223 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wmr n LYS 224 N -1.46 0.00 -1.35 3.49 5.02 0.32 -4.97 118.16 119.20 2wmr n LYS 224 Ca 0.07 0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 56.20 2wmr n LYS 224 Cb 0.33 -3.14 -0.03 0.00 -0.02 0.00 0.00 35.03 32.17 2wmr n LYS 224 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wmr n LYS 225 N -2.17 2.06 0.00 1.97 5.02 -0.67 -4.65 118.16 119.71 2wmr n LYS 225 Ca 0.00 -2.12 0.14 0.00 -2.02 0.00 0.00 58.31 54.32 2wmr n LYS 225 Cb 0.15 -3.04 0.79 0.00 -0.02 0.00 0.00 35.03 32.91 2wmr n LYS 225 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wmr n THR 226 N 5.56 0.04 1.63 -0.18 -2.24 -1.26 -2.50 114.28 115.33 2wmr n THR 226 Ca 0.51 0.01 0.15 0.00 -2.27 0.00 0.00 64.05 62.45 2wmr n THR 226 Cb 0.39 -0.53 0.82 0.00 -2.10 0.00 0.00 70.33 68.90 2wmr n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wmr n TYR 227 N -1.18 0.00 -2.74 4.78 0.18 -1.26 -2.50 117.16 114.44 2wmr n TYR 227 Ca 0.17 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.75 2wmr n TYR 227 Cb 0.18 -0.18 0.03 0.00 -0.38 0.00 0.00 39.34 38.99 2wmr n TYR 227 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2wmr s LEU 228 N -2.36 3.38 0.41 -3.48 1.43 -1.04 -4.71 118.68 112.31 2wmr s LEU 228 Ca 0.36 -0.12 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 2wmr s LEU 228 Cb 0.21 -2.82 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 2wmr s LEU 228 CO 0.43 -1.04 1.01 0.20 0.23 0.00 0.00 176.35 177.18 2wmr s ASN 229 N -4.40 6.78 0.00 2.29 0.01 -1.26 -1.43 114.94 116.92 2wmr s ASN 229 Ca 0.57 1.92 0.27 0.00 -0.71 0.00 0.00 52.86 54.90 2wmr s ASN 229 Cb -0.10 -2.57 0.92 0.00 0.41 0.00 0.00 41.25 39.91 2wmr s ASN 229 CO 0.37 -0.47 1.67 -0.81 -1.51 0.00 0.00 177.10 176.35 2wmr n PRO 230 N -0.28 1.75 0.16 -0.60 -0.04 -1.26 -4.89 135.00 129.84 2wmr n PRO 230 Ca 0.06 -1.10 0.02 0.00 -0.04 0.00 0.00 63.50 62.45 2wmr n PRO 230 Cb 0.51 -1.47 0.38 0.00 -0.04 0.00 0.00 33.50 32.89 2wmr n PRO 230 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2wmr h TRP 231 N 2.59 0.10 0.00 0.54 4.06 -1.56 -1.95 115.95 119.74 2wmr h TRP 231 Ca 0.00 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 2wmr h TRP 231 Cb 0.55 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 2wmr h TRP 231 CO 0.02 0.36 -0.01 1.57 -3.56 0.00 0.00 178.44 176.81 2wmr h LYS 232 N 0.09 0.00 -0.00 0.49 2.10 -0.93 -1.53 116.57 116.78 2wmr h LYS 232 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2wmr h LYS 232 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2wmr h LYS 232 CO 0.04 0.01 -0.06 1.63 -2.00 0.00 0.00 179.45 179.07 2wmr n LYS 233 N -3.13 0.90 -4.24 0.07 5.02 -0.73 -4.84 118.16 111.21 2wmr n LYS 233 Ca -0.00 -0.29 -0.34 0.00 -2.02 0.00 0.00 58.31 55.65 2wmr n LYS 233 Cb 0.25 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 2wmr n LYS 233 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wmr s ILE 234 N -2.29 3.73 0.79 -0.18 1.01 -0.58 -4.86 121.20 118.82 2wmr s ILE 234 Ca 0.35 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.45 2wmr s ILE 234 Cb 0.21 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 40.04 2wmr s ILE 234 CO 0.43 0.46 0.83 -0.67 0.00 0.00 0.00 174.94 175.99 2wmr n ASP 235 N 4.02 -0.25 0.22 3.58 -0.08 -1.26 -4.75 116.55 118.03 2wmr n ASP 235 Ca -0.17 0.56 0.08 0.00 -1.51 0.00 0.00 54.79 53.75 2wmr n ASP 235 Cb 0.52 -1.35 0.53 0.00 2.34 0.00 0.00 41.12 43.15 2wmr n ASP 235 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2wmr h SER 236 N -0.75 0.00 0.09 1.67 4.64 -1.98 -1.91 113.55 115.32 2wmr h SER 236 Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2wmr h SER 236 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2wmr h SER 236 CO 0.43 0.24 -0.04 0.00 -0.87 0.00 0.00 176.83 176.59 2wmr h ALA 237 N 1.76 -0.12 -0.73 5.18 0.00 -2.00 -1.29 119.26 122.07 2wmr h ALA 237 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2wmr h ALA 237 Cb 0.57 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2wmr h ALA 237 CO 0.03 -0.25 0.24 -1.35 0.00 0.00 0.00 179.25 177.92 2wmr h PRO 238 N -0.75 1.12 -0.61 0.00 0.11 -1.93 -2.69 132.00 127.26 2wmr h PRO 238 Ca -0.01 -0.23 0.01 0.00 0.11 0.00 0.00 66.00 65.87 2wmr h PRO 238 Cb 0.57 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 2wmr h PRO 238 CO 0.02 0.95 0.40 1.25 -0.21 0.00 0.00 178.00 180.41 2wmr h LEU 239 N 1.08 0.70 -0.73 2.35 5.85 -1.38 0.06 115.31 123.24 2wmr h LEU 239 Ca 0.24 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 2wmr h LEU 239 Cb 0.29 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2wmr h LEU 239 CO -0.01 0.50 0.26 0.00 -0.34 0.00 0.00 178.44 178.86 2wmr h ALA 240 N 1.62 0.95 -0.56 1.25 0.00 -0.90 0.48 119.26 122.09 2wmr h ALA 240 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wmr h ALA 240 Cb -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 2wmr h ALA 240 CO -0.05 0.60 0.32 1.25 0.00 0.00 0.00 179.25 181.37 2wmr h LEU 241 N 1.06 0.69 -1.59 0.00 5.85 -1.08 -2.39 115.31 117.85 2wmr h LEU 241 Ca 0.24 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2wmr h LEU 241 Cb 0.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2wmr h LEU 241 CO -0.01 0.57 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.39 2wmr h LEU 242 N 0.76 0.02 -1.57 2.25 3.38 -0.56 0.01 115.31 119.59 2wmr h LEU 242 Ca 0.20 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2wmr h LEU 242 Cb 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2wmr h LEU 242 CO -0.03 0.21 -0.19 0.45 0.09 0.00 0.00 178.44 178.97 2wmr h HIS 243 N 0.02 0.04 0.00 1.13 3.86 -0.41 -0.90 115.15 118.88 2wmr h HIS 243 Ca 0.00 -0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.02 2wmr h HIS 243 Cb 0.35 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.78 2wmr h HIS 243 CO 0.00 0.22 -1.20 0.87 0.86 0.00 0.00 177.93 178.69 2wmr h LYS 244 N 0.04 0.00 0.01 2.45 1.57 -0.75 -3.39 116.57 116.50 2wmr h LYS 244 Ca 0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2wmr h LYS 244 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2wmr h LYS 244 CO 0.02 0.51 -0.57 0.82 -0.57 0.00 0.00 179.45 179.66 2wmr h ILE 245 N 0.00 1.41 -0.46 1.86 2.04 -1.05 -2.20 117.51 119.11 2wmr h ILE 245 Ca -0.13 -2.29 -0.36 0.00 1.00 0.00 0.00 64.86 63.09 2wmr h ILE 245 Cb 1.66 2.90 -0.11 0.00 -0.74 0.00 0.00 36.82 40.53 2wmr h ILE 245 CO 0.07 0.49 0.24 0.18 0.00 0.00 0.00 178.15 179.13 2wmr n LEU 246 N -4.51 6.00 -4.70 1.44 4.77 -0.36 -4.70 117.00 114.95 2wmr n LEU 246 Ca -0.20 -3.65 -0.38 0.00 -0.03 0.00 0.00 56.01 51.76 2wmr n LEU 246 Cb 0.58 -1.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.25 2wmr n LEU 246 CO 0.28 1.75 0.14 -0.69 -1.33 0.00 0.00 177.39 177.54 2wmr s VAL 247 N -0.27 5.19 0.19 4.08 1.01 -1.26 -4.95 120.40 124.39 2wmr s VAL 247 Ca 0.64 0.83 -0.09 0.00 0.00 0.00 0.00 61.98 63.35 2wmr s VAL 247 Cb 0.33 -3.77 0.09 0.00 0.00 0.00 0.00 36.38 33.03 2wmr s VAL 247 CO -0.09 0.28 1.68 -0.08 0.00 0.00 0.00 175.10 176.89 2wmr h GLU 248 N 7.05 1.09 -6.54 2.72 4.81 -1.96 -3.40 114.58 118.35 2wmr h GLU 248 Ca -0.38 -0.30 -0.57 0.00 -0.13 0.00 0.00 59.36 57.99 2wmr h GLU 248 Cb 1.17 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 2wmr h GLU 248 CO 0.74 1.00 1.04 1.21 -0.73 0.00 0.00 179.01 182.28 2wmr s ASN 249 N -6.47 6.41 0.56 1.04 3.84 -1.26 -4.61 114.94 114.46 2wmr s ASN 249 Ca -0.12 0.82 0.37 0.00 0.21 0.00 0.00 52.86 54.14 2wmr s ASN 249 Cb 0.14 -2.54 1.93 0.00 -0.55 0.00 0.00 41.25 40.23 2wmr s ASN 249 CO 0.85 -1.37 2.14 1.55 -2.79 0.00 0.00 177.10 177.48 2wmr h PRO 250 N 10.34 0.00 0.00 0.43 0.13 -1.96 0.14 132.00 141.08 2wmr h PRO 250 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 2wmr h PRO 250 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2wmr h PRO 250 CO 1.09 0.00 -0.76 0.77 -0.23 0.00 0.00 178.00 178.86 2wmr h SER 251 N 0.00 0.00 0.96 1.44 0.02 -1.93 -3.28 113.55 110.76 2wmr h SER 251 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2wmr h SER 251 Cb 0.12 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2wmr h SER 251 CO 0.00 0.68 -1.11 0.00 -1.14 0.00 0.00 176.83 175.26 2wmr h ALA 252 N 1.32 0.64 -2.55 3.77 0.00 -1.16 -3.47 119.26 117.80 2wmr h ALA 252 Ca -0.03 -0.58 -0.57 0.00 0.00 0.00 0.00 54.91 53.73 2wmr h ALA 252 Cb 1.54 0.15 0.11 0.00 0.00 0.00 0.00 17.79 19.59 2wmr h ALA 252 CO 0.08 0.66 0.52 -2.13 0.00 0.00 0.00 179.25 178.38 2wmr n ARG 253 N -2.93 2.15 -1.83 0.00 0.63 -0.31 -4.91 116.66 109.45 2wmr n ARG 253 Ca -0.05 0.75 -0.38 0.00 -0.92 0.00 0.00 57.85 57.25 2wmr n ARG 253 Cb 0.76 -2.34 0.03 0.00 0.45 0.00 0.00 32.46 31.35 2wmr n ARG 253 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2wmr s ILE 254 N -1.10 2.18 0.27 5.15 2.07 -0.83 -5.01 121.20 123.93 2wmr s ILE 254 Ca 0.55 0.14 0.05 0.00 -1.41 0.00 0.00 60.65 59.99 2wmr s ILE 254 Cb -0.56 -3.07 -0.02 0.00 0.13 0.00 0.00 42.46 38.93 2wmr s ILE 254 CO 0.62 0.00 0.40 0.42 -1.91 0.00 0.00 174.94 174.47 2wmr s THR 255 N -1.31 4.92 0.25 4.00 -4.23 -1.26 -4.92 115.64 113.10 2wmr s THR 255 Ca 0.69 -0.98 -0.03 0.00 -1.18 0.00 0.00 61.69 60.18 2wmr s THR 255 Cb -0.40 -3.73 0.23 0.00 1.34 0.00 0.00 72.50 69.95 2wmr s THR 255 CO 0.48 -0.28 1.84 0.40 -0.54 0.00 0.00 174.62 176.51 2wmr h ILE 256 N 1.08 0.97 -0.31 2.99 2.04 -1.97 0.82 117.51 123.13 2wmr h ILE 256 Ca -0.50 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2wmr h ILE 256 Cb 1.24 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2wmr h ILE 256 CO 0.59 0.17 0.11 -0.65 0.00 0.00 0.00 178.15 178.36 2wmr h PRO 257 N 0.93 0.44 0.01 2.37 0.11 -1.99 -0.97 132.00 132.89 2wmr h PRO 257 Ca 0.42 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.28 2wmr h PRO 257 Cb 0.31 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 2wmr h PRO 257 CO -0.22 0.38 -0.88 -0.44 -0.21 0.00 0.00 178.00 176.63 2wmr h ASP 258 N 0.44 0.09 -0.94 -2.05 3.45 -1.59 -3.05 116.42 112.77 2wmr h ASP 258 Ca 0.11 -0.07 0.01 0.00 0.43 0.00 0.00 57.03 57.51 2wmr h ASP 258 Cb 0.12 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 38.82 2wmr h ASP 258 CO -0.01 0.92 0.62 0.40 -1.57 0.00 0.00 179.24 179.60 2wmr h ILE 259 N 0.03 1.23 0.00 0.35 2.04 -0.19 -1.99 117.51 118.99 2wmr h ILE 259 Ca -0.02 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2wmr h ILE 259 Cb 1.53 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2wmr h ILE 259 CO 0.12 0.23 0.00 0.29 0.00 0.00 0.00 178.15 178.79 2wmr n LYS 260 N -4.40 0.13 -0.12 2.37 5.02 -0.43 -1.36 118.16 119.37 2wmr n LYS 260 Ca 0.11 0.61 0.06 0.00 -2.02 0.00 0.00 58.31 57.07 2wmr n LYS 260 Cb 0.02 -1.90 0.12 0.00 -0.02 0.00 0.00 35.03 33.26 2wmr n LYS 260 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wmr n LYS 261 N -2.17 2.01 -2.38 1.97 5.02 -0.76 -4.82 118.16 117.03 2wmr n LYS 261 Ca -0.01 -1.77 -0.40 0.00 -2.02 0.00 0.00 58.31 54.12 2wmr n LYS 261 Cb 0.04 -1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 2wmr n LYS 261 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wmr s ASP 262 N -1.02 6.98 0.21 4.39 -1.08 -0.47 -4.94 116.67 120.75 2wmr s ASP 262 Ca 0.21 2.34 -0.09 0.00 -0.52 0.00 0.00 52.55 54.49 2wmr s ASP 262 Cb 0.12 -2.62 0.27 0.00 -1.46 0.00 0.00 42.92 39.23 2wmr s ASP 262 CO 0.17 -0.35 1.77 -0.09 0.52 0.00 0.00 175.17 177.18 2wmr h ARG 263 N 3.37 0.49 -0.41 4.34 2.43 -1.93 -1.60 114.38 121.06 2wmr h ARG 263 Ca -0.48 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.53 2wmr h ARG 263 Cb 1.22 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2wmr h ARG 263 CO 0.65 0.33 -0.25 2.35 -1.51 0.00 0.00 179.97 181.54 2wmr h TRP 264 N 0.51 1.05 -0.63 2.20 7.01 -1.93 -0.83 115.95 123.32 2wmr h TRP 264 Ca 0.31 -0.27 0.08 0.00 2.11 0.00 0.00 58.89 61.11 2wmr h TRP 264 Cb 0.32 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 2wmr h TRP 264 CO -0.13 1.07 0.42 -0.92 -2.79 0.00 0.00 178.44 176.09 2wmr h TYR 265 N 0.72 0.57 -0.31 2.65 5.03 -1.75 -1.92 116.97 121.96 2wmr h TYR 265 Ca 0.09 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2wmr h TYR 265 Cb 0.82 -0.19 0.00 0.00 1.55 0.00 0.00 36.73 38.92 2wmr h TYR 265 CO 0.06 0.29 0.00 0.09 -1.32 0.00 0.00 178.16 177.28 2wmr n ASN 266 N -4.48 3.14 -4.67 -2.11 3.02 -0.65 -4.94 115.26 104.57 2wmr n ASN 266 Ca 0.10 -1.95 -0.43 0.00 -0.03 0.00 0.00 54.58 52.27 2wmr n ASN 266 Cb 0.29 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 2wmr n ASN 266 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2wmr s LYS 267 N -1.60 4.29 0.23 3.52 2.20 -0.35 -5.02 119.74 123.01 2wmr s LYS 267 Ca 0.37 1.67 -0.30 0.00 -0.36 0.00 0.00 55.97 57.35 2wmr s LYS 267 Cb 0.22 -3.67 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 2wmr s LYS 267 CO 0.31 -0.59 1.31 -2.14 -0.36 0.00 0.00 175.35 173.88 2wmr s PRO 268 N 2.90 4.39 -0.04 4.03 0.02 -1.26 -5.02 135.00 140.01 2wmr s PRO 268 Ca 0.55 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.70 2wmr s PRO 268 Cb -0.23 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 31.13 2wmr s PRO 268 CO 0.18 -0.23 -0.11 -0.51 -0.33 0.00 0.00 177.00 176.00 2wmr s LEU 269 N -0.55 1.74 0.00 -5.54 1.43 -1.26 -5.15 118.68 109.35 2wmr s LEU 269 Ca 0.55 -0.24 0.30 0.00 -1.03 0.00 0.00 54.13 53.71 2wmr s LEU 269 Cb -0.37 -0.68 1.77 0.00 0.03 0.00 0.00 46.19 46.94 2wmr s LEU 269 CO 0.42 0.06 2.10 2.29 0.23 0.00 0.00 176.35 181.46