#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of3 n ASN 1 N 0.00 5.06 -4.71 -3.46 6.94 -1.26 -4.95 115.26 112.88 1of3 n ASN 1 Ca 0.00 -2.68 -0.43 0.00 -0.02 0.00 0.00 54.58 51.45 1of3 n ASN 1 Cb 0.00 -0.63 -0.03 0.00 -2.36 0.00 0.00 39.78 36.76 1of3 n ASN 1 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1of3 n GLU 2 N 0.79 2.61 -2.14 -3.83 -0.58 -1.26 -4.92 120.64 111.32 1of3 n GLU 2 Ca 0.25 0.94 -0.42 0.00 -0.42 0.00 0.00 57.16 57.51 1of3 n GLU 2 Cb 1.02 -2.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.11 1of3 n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1of3 s ALA 3 N 0.85 3.63 -1.76 0.62 0.00 -1.26 -4.88 121.76 118.96 1of3 s ALA 3 Ca 0.73 0.83 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1of3 s ALA 3 Cb -0.54 -3.68 0.11 0.00 0.00 0.00 0.00 23.12 19.01 1of3 s ALA 3 CO 0.37 -1.24 1.01 0.54 0.00 0.00 0.00 175.76 176.44 1of3 n ARG 4 N 6.59 1.36 -4.07 0.00 1.74 -1.26 -4.84 116.66 116.18 1of3 n ARG 4 Ca 0.16 -0.46 -0.13 0.00 -0.77 0.00 0.00 57.85 56.65 1of3 n ARG 4 Cb 0.43 -1.21 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 1of3 n ARG 4 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1of3 s TYR 5 N -1.72 0.67 0.12 -1.55 2.02 -1.26 -1.17 117.35 114.46 1of3 s TYR 5 Ca 0.08 -0.53 0.09 0.00 -0.37 0.00 0.00 57.07 56.34 1of3 s TYR 5 Cb 0.05 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1of3 s TYR 5 CO 0.05 -0.09 -0.21 0.14 -1.57 0.00 0.00 175.55 173.86 1of3 s VAL 6 N -1.55 1.83 0.10 0.71 -7.23 -0.07 -4.86 120.40 109.33 1of3 s VAL 6 Ca -0.09 -1.66 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 1of3 s VAL 6 Cb -0.09 -1.69 -0.08 0.00 0.56 0.00 0.00 36.38 35.08 1of3 s VAL 6 CO -0.00 -0.09 1.49 -0.22 -0.31 0.00 0.00 175.10 175.97 1of3 s LEU 7 N -2.10 4.36 -0.14 1.32 2.96 -1.26 -1.36 118.68 122.46 1of3 s LEU 7 Ca 0.10 2.40 0.04 0.00 -0.22 0.00 0.00 54.13 56.45 1of3 s LEU 7 Cb -0.09 -3.58 -0.12 0.00 0.50 0.00 0.00 46.19 42.90 1of3 s LEU 7 CO 0.05 -0.76 -0.08 0.00 -1.32 0.00 0.00 176.35 174.24 1of3 n ALA 8 N 4.55 1.68 -3.03 5.97 0.00 0.11 -4.87 120.51 124.91 1of3 n ALA 8 Ca 0.13 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.75 1of3 n ALA 8 Cb 0.41 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 1of3 n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1of3 s GLU 9 N -2.30 0.27 -0.07 0.00 0.41 -0.97 -5.00 118.70 111.04 1of3 s GLU 9 Ca -0.16 -0.08 -0.04 0.00 -0.41 0.00 0.00 54.97 54.28 1of3 s GLU 9 Cb 0.05 0.12 0.03 0.00 -1.78 0.00 0.00 34.13 32.54 1of3 s GLU 9 CO 0.40 -0.05 0.16 -2.00 -0.49 0.00 0.00 175.26 173.28 1of3 s GLU 10 N -0.54 0.15 -0.24 1.61 2.12 -1.26 -0.79 118.70 119.75 1of3 s GLU 10 Ca -0.06 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.57 1of3 s GLU 10 Cb -0.04 -0.03 0.06 0.00 0.26 0.00 0.00 34.13 34.38 1of3 s GLU 10 CO 0.01 -0.09 -0.02 0.08 -0.54 0.00 0.00 175.26 174.69 1of3 s VAL 11 N 0.60 1.34 -1.41 3.70 1.01 0.40 -4.98 120.40 121.06 1of3 s VAL 11 Ca -0.04 -1.17 0.15 0.00 0.00 0.00 0.00 61.98 60.92 1of3 s VAL 11 Cb -0.06 -1.69 0.36 0.00 0.00 0.00 0.00 36.38 34.99 1of3 s VAL 11 CO -0.03 -0.18 1.28 -0.90 0.00 0.00 0.00 175.10 175.27 1of3 n ASP 12 N 4.73 3.08 -3.45 3.32 5.75 -1.26 -1.22 116.55 127.51 1of3 n ASP 12 Ca -0.10 -1.93 -0.25 0.00 -0.01 0.00 0.00 54.79 52.50 1of3 n ASP 12 Cb 0.44 -0.26 0.03 0.00 -1.03 0.00 0.00 41.12 40.30 1of3 n ASP 12 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1of3 n PHE 13 N 0.89 -2.12 0.23 2.11 3.72 -1.26 -4.62 117.46 116.41 1of3 n PHE 13 Ca 0.15 0.67 0.11 0.00 -0.05 0.00 0.00 57.45 58.33 1of3 n PHE 13 Cb 0.47 -3.94 0.49 0.00 -0.94 0.00 0.00 39.48 35.56 1of3 n PHE 13 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1of3 h SER 14 N -1.61 0.00 -4.16 4.37 4.64 -1.81 -3.33 113.55 111.64 1of3 h SER 14 Ca -0.52 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.11 1of3 h SER 14 Cb 1.35 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.17 1of3 h SER 14 CO 0.59 0.19 -0.83 -0.55 -0.87 0.00 0.00 176.83 175.36 1of3 s SER 15 N -6.12 3.56 0.53 4.97 0.15 -1.26 -4.88 113.70 110.65 1of3 s SER 15 Ca 0.01 -0.34 0.28 0.00 0.70 0.00 0.00 55.95 56.60 1of3 s SER 15 Cb 0.10 -0.74 1.48 0.00 -1.71 0.00 0.00 66.02 65.15 1of3 s SER 15 CO 0.62 0.31 2.08 1.55 1.20 0.00 0.00 173.24 179.00 1of3 h PRO 16 N 5.61 0.00 -0.16 5.44 0.13 -1.99 -2.17 132.00 138.86 1of3 h PRO 16 Ca -0.41 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.76 1of3 h PRO 16 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1of3 h PRO 16 CO 0.49 0.11 0.19 0.93 -0.23 0.00 0.00 178.00 179.49 1of3 h GLU 17 N 0.00 0.00 -0.32 0.86 4.39 -1.97 -1.99 114.58 115.55 1of3 h GLU 17 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1of3 h GLU 17 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1of3 h GLU 17 CO 0.01 0.00 -0.06 1.49 -1.16 0.00 0.00 179.01 179.30 1of3 h GLU 18 N 0.00 0.52 -0.04 2.33 4.57 -1.78 -2.54 114.58 117.63 1of3 h GLU 18 Ca 0.07 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1of3 h GLU 18 Cb 0.46 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1of3 h GLU 18 CO -0.00 0.59 0.04 0.28 -1.18 0.00 0.00 179.01 178.74 1of3 h VAL 19 N 0.49 0.66 0.00 0.32 2.07 -1.56 -0.43 116.25 117.81 1of3 h VAL 19 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1of3 h VAL 19 Cb 0.41 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1of3 h VAL 19 CO 0.02 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.72 1of3 h LYS 20 N 0.00 0.00 0.00 1.57 1.57 -1.61 -0.68 116.57 117.42 1of3 h LYS 20 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1of3 h LYS 20 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1of3 h LYS 20 CO -0.00 0.00 -0.03 0.09 -0.57 0.00 0.00 179.45 178.94 1of3 n ASN 21 N -2.41 0.27 -4.79 0.86 3.02 -0.17 -4.86 115.26 107.17 1of3 n ASN 21 Ca 0.01 0.49 -0.31 0.00 -0.03 0.00 0.00 54.58 54.74 1of3 n ASN 21 Cb 0.18 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 1of3 n ASN 21 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1of3 s TRP 22 N -3.03 3.23 0.15 3.10 0.52 -0.26 -4.29 118.94 118.35 1of3 s TRP 22 Ca 0.13 0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.35 1of3 s TRP 22 Cb 0.17 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.81 1of3 s TRP 22 CO 0.56 0.53 0.03 1.67 0.02 0.00 0.00 176.95 179.77 1of3 s TRP 23 N -1.40 1.00 -0.24 -1.98 -2.14 0.00 -4.96 118.94 109.22 1of3 s TRP 23 Ca 0.30 -1.15 -0.25 0.00 2.66 0.00 0.00 56.10 57.66 1of3 s TRP 23 Cb -0.12 -0.57 -0.00 0.00 -3.10 0.00 0.00 33.47 29.68 1of3 s TRP 23 CO 0.23 -0.40 0.85 1.21 -2.66 0.00 0.00 176.95 176.18 1of3 s ASN 24 N -3.10 6.86 -0.10 -2.66 3.84 -1.26 -1.45 114.94 117.08 1of3 s ASN 24 Ca 0.24 1.08 0.13 0.00 0.21 0.00 0.00 52.86 54.52 1of3 s ASN 24 Cb 0.07 -2.45 0.33 0.00 -0.55 0.00 0.00 41.25 38.65 1of3 s ASN 24 CO 0.03 -0.52 1.24 -1.54 -2.79 0.00 0.00 177.10 173.52 1of3 n SER 25 N 5.97 2.96 0.00 -4.21 3.41 -0.21 -4.96 113.62 116.59 1of3 n SER 25 Ca 0.06 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 1of3 n SER 25 Cb 0.47 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1of3 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1of3 n GLY 26 N -0.51 3.84 3.12 5.00 0.00 -1.23 -4.86 105.19 110.54 1of3 n GLY 26 Ca 0.14 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1of3 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1of3 s THR 27 N -2.02 0.01 -0.14 2.61 -4.23 -1.26 -1.42 115.64 109.19 1of3 s THR 27 Ca 0.00 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.39 1of3 s THR 27 Cb 0.00 -0.35 0.04 0.00 1.34 0.00 0.00 72.50 73.53 1of3 s THR 27 CO 0.00 -0.05 0.01 0.26 -0.54 0.00 0.00 174.62 174.29 1of3 s TRP 28 N -0.12 0.97 -1.73 3.99 0.51 0.18 -4.78 118.94 117.96 1of3 s TRP 28 Ca -0.02 -0.59 0.00 0.00 -2.12 0.00 0.00 56.10 53.37 1of3 s TRP 28 Cb -0.02 -0.98 0.00 0.00 -0.81 0.00 0.00 33.47 31.66 1of3 s TRP 28 CO 0.01 -0.49 0.00 1.04 -0.51 0.00 0.00 176.95 177.00 1of3 n GLN 29 N 5.07 -1.65 -3.93 4.98 1.13 -1.26 -0.90 117.38 120.82 1of3 n GLN 29 Ca -0.09 0.97 -0.09 0.00 -1.94 0.00 0.00 57.00 55.85 1of3 n GLN 29 Cb 0.49 -5.48 -0.05 0.00 0.11 0.00 0.00 30.24 25.30 1of3 n GLN 29 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1of3 s ALA 30 N -2.74 -0.34 0.11 -1.58 0.00 -1.26 -4.57 121.76 111.38 1of3 s ALA 30 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1of3 s ALA 30 Cb 0.00 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1of3 s ALA 30 CO 0.00 -0.79 -0.05 -1.21 0.00 0.00 0.00 175.76 173.71 1of3 s GLU 31 N -3.97 0.89 0.15 0.00 2.02 -0.51 -4.84 118.70 112.44 1of3 s GLU 31 Ca 0.18 -1.38 -0.07 0.00 0.02 0.00 0.00 54.97 53.73 1of3 s GLU 31 Cb 0.00 -0.20 -0.06 0.00 0.10 0.00 0.00 34.13 33.97 1of3 s GLU 31 CO 0.04 -0.05 0.42 -0.06 0.02 0.00 0.00 175.26 175.63 1of3 s PHE 32 N -3.64 3.48 0.00 1.61 0.08 -1.26 0.17 117.98 118.42 1of3 s PHE 32 Ca 0.15 0.66 0.00 0.00 0.12 0.00 0.00 56.93 57.86 1of3 s PHE 32 Cb 0.05 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1of3 s PHE 32 CO -0.03 0.41 0.00 0.41 -0.10 0.00 0.00 175.22 175.91 1of3 n GLY 33 N 0.17 0.23 2.94 4.36 0.00 0.17 -4.82 105.19 108.23 1of3 n GLY 33 Ca -0.03 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 1of3 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1of3 s SER 34 N -1.00 2.07 0.72 1.61 0.15 -1.26 -2.79 113.70 113.20 1of3 s SER 34 Ca 0.00 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.24 1of3 s SER 34 Cb 0.00 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.50 1of3 s SER 34 CO 0.00 -0.08 1.07 -2.16 1.20 0.00 0.00 173.24 173.27 1of3 s PRO 35 N 1.44 2.72 0.07 5.44 0.04 -1.26 -5.07 135.00 138.37 1of3 s PRO 35 Ca -0.00 0.95 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 1of3 s PRO 35 Cb -0.13 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.28 1of3 s PRO 35 CO -0.05 -1.26 1.65 0.38 0.04 0.00 0.00 177.00 177.76 1of3 h ASP 36 N -0.83 -0.00 -4.52 6.66 3.04 -1.84 -3.38 116.42 115.55 1of3 h ASP 36 Ca -0.44 -0.09 -0.34 0.00 -3.24 0.00 0.00 57.03 52.92 1of3 h ASP 36 Cb 1.22 0.00 -0.23 0.00 -1.04 0.00 0.00 39.33 39.28 1of3 h ASP 36 CO 0.56 0.09 -0.76 0.27 -2.04 0.00 0.00 179.24 177.36 1of3 s ILE 37 N -5.84 0.73 0.30 4.15 -4.36 -1.26 -1.49 121.20 113.44 1of3 s ILE 37 Ca -0.14 -0.99 -0.20 0.00 -0.26 0.00 0.00 60.65 59.07 1of3 s ILE 37 Cb 0.05 -0.73 0.04 0.00 1.25 0.00 0.00 42.46 43.07 1of3 s ILE 37 CO 0.66 -0.22 0.77 -1.83 0.24 0.00 0.00 174.94 174.56 1of3 s GLU 38 N -1.33 1.86 0.26 0.37 -1.05 -0.38 -5.00 118.70 113.43 1of3 s GLU 38 Ca -0.05 -1.09 -0.13 0.00 -0.15 0.00 0.00 54.97 53.55 1of3 s GLU 38 Cb -0.09 0.59 -0.08 0.00 -0.44 0.00 0.00 34.13 34.12 1of3 s GLU 38 CO 0.01 -0.86 0.64 -0.46 0.95 0.00 0.00 175.26 175.54 1of3 s TRP 39 N -3.34 3.44 -0.14 4.83 -0.00 -1.26 -0.02 118.94 122.45 1of3 s TRP 39 Ca 0.13 1.08 0.00 0.00 -0.00 0.00 0.00 56.10 57.31 1of3 s TRP 39 Cb -0.05 -2.42 0.02 0.00 -0.00 0.00 0.00 33.47 31.02 1of3 s TRP 39 CO 0.08 0.22 -0.13 1.21 -0.00 0.00 0.00 176.95 178.33 1of3 s ASN 40 N -2.19 2.54 0.00 5.86 3.84 -0.50 -4.81 114.94 119.68 1of3 s ASN 40 Ca 0.49 -0.44 0.28 0.00 0.21 0.00 0.00 52.86 53.40 1of3 s ASN 40 Cb -0.12 -1.09 1.08 0.00 -0.55 0.00 0.00 41.25 40.57 1of3 s ASN 40 CO 0.19 -0.06 1.77 0.61 -2.79 0.00 0.00 177.10 176.82 1of3 n GLY 41 N 4.75 -0.85 0.15 1.21 0.00 -1.26 -1.08 105.19 108.10 1of3 n GLY 41 Ca -0.16 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1of3 n GLY 41 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1of3 n GLU 42 N -0.88 0.56 -1.88 1.61 4.07 -1.26 -3.47 120.64 119.39 1of3 n GLU 42 Ca 0.14 0.24 -0.42 0.00 -0.06 0.00 0.00 57.16 57.06 1of3 n GLU 42 Cb 0.30 -1.45 -0.03 0.00 -0.06 0.00 0.00 31.44 30.20 1of3 n GLU 42 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1of3 s VAL 43 N -2.60 2.43 -1.18 6.31 1.01 -1.26 -2.20 120.40 122.91 1of3 s VAL 43 Ca -0.36 0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1of3 s VAL 43 Cb 0.12 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1of3 s VAL 43 CO 0.46 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1of3 n GLY 44 N 3.46 1.16 4.13 4.51 0.00 -1.26 -0.97 105.19 116.22 1of3 n GLY 44 Ca 0.13 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1of3 n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1of3 n ASN 45 N -0.59 -3.03 0.00 1.61 4.13 -0.93 -4.65 115.26 111.80 1of3 n ASN 45 Ca -0.11 -0.97 0.00 0.00 1.68 0.00 0.00 54.58 55.18 1of3 n ASN 45 Cb 0.47 -3.00 0.00 0.00 -1.54 0.00 0.00 39.78 35.72 1of3 n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1of3 n GLY 46 N -1.55 2.79 3.35 7.41 0.00 -0.14 -4.57 105.19 112.48 1of3 n GLY 46 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 1of3 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1of3 s ALA 47 N 0.00 -1.13 -0.23 4.61 0.00 -0.24 -4.52 121.76 120.24 1of3 s ALA 47 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.89 1of3 s ALA 47 Cb 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1of3 s ALA 47 CO 0.00 -0.65 0.79 -1.17 0.00 0.00 0.00 175.76 174.73 1of3 s LEU 48 N -2.66 4.09 -0.20 0.00 2.96 -0.65 -1.40 118.68 120.81 1of3 s LEU 48 Ca 0.01 0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 54.83 1of3 s LEU 48 Cb 0.01 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 1of3 s LEU 48 CO -0.11 -0.47 0.08 -1.58 -1.32 0.00 0.00 176.35 172.96 1of3 s GLN 49 N 2.66 3.95 -0.18 1.98 0.74 0.97 -0.94 119.66 128.84 1of3 s GLN 49 Ca 0.34 -0.35 -0.05 0.00 0.05 0.00 0.00 55.36 55.35 1of3 s GLN 49 Cb -0.15 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 1of3 s GLN 49 CO 0.08 0.17 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.47 1of3 s LEU 50 N 0.67 3.28 -0.34 3.68 1.02 0.35 -1.24 118.68 126.09 1of3 s LEU 50 Ca 0.04 -0.15 -0.15 0.00 0.02 0.00 0.00 54.13 53.89 1of3 s LEU 50 Cb -0.13 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1of3 s LEU 50 CO 0.02 0.12 0.36 0.20 0.02 0.00 0.00 176.35 177.07 1of3 s ASN 51 N 0.67 6.18 0.22 2.29 0.01 -0.55 -0.72 114.94 123.04 1of3 s ASN 51 Ca -0.01 -0.24 0.10 0.00 -0.71 0.00 0.00 52.86 52.00 1of3 s ASN 51 Cb -0.14 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.27 1of3 s ASN 51 CO 0.02 -0.35 -0.20 0.68 -1.51 0.00 0.00 177.10 175.75 1of3 s VAL 52 N 2.02 2.16 -0.27 1.60 -7.23 -0.47 0.43 120.40 118.64 1of3 s VAL 52 Ca 0.12 -2.16 -0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1of3 s VAL 52 Cb -0.17 -2.10 0.08 0.00 0.56 0.00 0.00 36.38 34.76 1of3 s VAL 52 CO 0.12 -0.34 0.05 -0.54 -0.31 0.00 0.00 175.10 174.07 1of3 s LYS 53 N -3.16 0.96 -0.35 4.82 1.02 0.13 -1.47 119.74 121.69 1of3 s LYS 53 Ca 0.23 -0.99 -0.09 0.00 0.02 0.00 0.00 55.97 55.14 1of3 s LYS 53 Cb -0.05 -2.25 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1of3 s LYS 53 CO 0.10 -0.83 0.16 -0.51 -0.92 0.00 0.00 175.35 173.35 1of3 s LEU 54 N 1.56 4.48 0.59 3.17 1.43 0.74 -1.42 118.68 129.23 1of3 s LEU 54 Ca 0.04 -1.00 0.30 0.00 -1.03 0.00 0.00 54.13 52.44 1of3 s LEU 54 Cb -0.18 -1.96 1.81 0.00 0.03 0.00 0.00 46.19 45.90 1of3 s LEU 54 CO -0.16 -0.34 2.25 -0.65 0.23 0.00 0.00 176.35 177.68 1of3 h PRO 55 N 8.34 0.00 -0.60 1.29 0.11 -1.81 -0.09 132.00 139.24 1of3 h PRO 55 Ca -0.26 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.68 1of3 h PRO 55 Cb 1.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1of3 h PRO 55 CO 0.64 0.01 -0.17 0.41 -0.21 0.00 0.00 178.00 178.67 1of3 n GLY 56 N -1.29 0.80 0.06 -0.55 0.00 -1.23 -4.55 105.19 98.43 1of3 n GLY 56 Ca -0.03 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1of3 n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1of3 n LYS 57 N -2.53 0.65 -4.38 1.61 5.02 -1.26 -4.38 118.16 112.88 1of3 n LYS 57 Ca -0.09 -0.05 -0.20 0.00 -2.02 0.00 0.00 58.31 55.96 1of3 n LYS 57 Cb 0.35 -1.61 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1of3 n LYS 57 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1of3 s SER 58 N -5.04 2.78 0.00 4.39 0.15 -1.26 -4.90 113.70 109.83 1of3 s SER 58 Ca -0.06 -1.05 0.27 0.00 0.70 0.00 0.00 55.95 55.81 1of3 s SER 58 Cb 0.11 -0.17 1.41 0.00 -1.71 0.00 0.00 66.02 65.66 1of3 s SER 58 CO 0.86 -0.16 1.92 -0.90 1.20 0.00 0.00 173.24 176.17 1of3 n ASP 59 N -0.45 0.00 -3.43 5.45 5.75 -1.26 -1.03 116.55 121.58 1of3 n ASP 59 Ca -0.07 -0.26 -0.26 0.00 -0.01 0.00 0.00 54.79 54.20 1of3 n ASP 59 Cb 0.61 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 40.36 1of3 n ASP 59 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1of3 s TRP 60 N -2.45 0.41 -0.23 2.11 -0.11 -1.23 -4.19 118.94 113.25 1of3 s TRP 60 Ca 0.29 -1.37 0.02 0.00 1.22 0.00 0.00 56.10 56.25 1of3 s TRP 60 Cb 0.18 -0.76 0.04 0.00 -1.50 0.00 0.00 33.47 31.43 1of3 s TRP 60 CO 0.39 -0.87 -0.14 -1.21 -4.62 0.00 0.00 176.95 170.50 1of3 s GLU 61 N 1.20 2.54 -0.00 5.86 2.02 0.33 -4.72 118.70 125.93 1of3 s GLU 61 Ca 0.17 -1.14 0.07 0.00 0.02 0.00 0.00 54.97 54.09 1of3 s GLU 61 Cb -0.21 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.22 1of3 s GLU 61 CO -0.01 -0.43 -0.22 -2.00 0.02 0.00 0.00 175.26 172.61 1of3 s GLU 62 N 1.18 1.73 0.11 1.61 2.12 -0.07 -0.02 118.70 125.36 1of3 s GLU 62 Ca -0.03 -0.84 0.08 0.00 0.36 0.00 0.00 54.97 54.53 1of3 s GLU 62 Cb -0.17 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.46 1of3 s GLU 62 CO -0.08 0.46 -0.19 0.14 -0.54 0.00 0.00 175.26 175.06 1of3 s VAL 63 N -0.59 1.63 -0.00 3.70 -7.23 -0.53 -0.65 120.40 116.74 1of3 s VAL 63 Ca 0.09 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1of3 s VAL 63 Cb -0.09 -1.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.31 1of3 s VAL 63 CO -0.00 -0.15 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.01 1of3 s ARG 64 N -2.09 0.25 0.26 4.82 3.52 -0.51 -1.27 118.95 123.93 1of3 s ARG 64 Ca 0.07 -0.11 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 1of3 s ARG 64 Cb -0.09 -0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.01 1of3 s ARG 64 CO 0.04 0.06 0.06 0.14 -0.81 0.00 0.00 175.30 174.79 1of3 s VAL 65 N -0.09 0.82 0.09 7.11 -7.23 -0.85 -1.04 120.40 119.22 1of3 s VAL 65 Ca 0.01 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1of3 s VAL 65 Cb -0.01 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.42 1of3 s VAL 65 CO -0.00 -0.12 0.44 0.00 -0.31 0.00 0.00 175.10 175.10 1of3 s ALA 66 N -3.57 -1.07 0.01 1.32 0.00 -0.53 0.16 121.76 118.08 1of3 s ALA 66 Ca 0.34 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1of3 s ALA 66 Cb 0.07 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1of3 s ALA 66 CO 0.12 -0.57 0.22 0.50 0.00 0.00 0.00 175.76 176.02 1of3 s ARG 67 N -3.17 0.61 0.26 0.00 3.52 -0.65 -0.82 118.95 118.70 1of3 s ARG 67 Ca -0.01 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 1of3 s ARG 67 Cb 0.00 0.26 -0.09 0.00 -1.56 0.00 0.00 34.95 33.56 1of3 s ARG 67 CO -0.07 -0.16 1.08 0.15 -0.81 0.00 0.00 175.30 175.48 1of3 s LYS 68 N -1.65 4.67 -0.07 5.12 1.02 -1.26 -1.07 119.74 126.50 1of3 s LYS 68 Ca -0.12 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.62 1of3 s LYS 68 Cb -0.05 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1of3 s LYS 68 CO 0.01 0.24 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.58 1of3 s PHE 69 N -1.07 0.95 0.38 3.18 0.08 0.02 -4.92 117.98 116.60 1of3 s PHE 69 Ca 0.44 -0.34 0.10 0.00 0.12 0.00 0.00 56.93 57.25 1of3 s PHE 69 Cb -0.31 -0.86 0.75 0.00 -0.57 0.00 0.00 43.02 42.02 1of3 s PHE 69 CO 0.39 -0.31 1.88 1.49 -0.10 0.00 0.00 175.22 178.58 1of3 h GLU 70 N 7.70 0.19 -0.39 0.44 4.57 -1.95 -2.96 114.58 122.18 1of3 h GLU 70 Ca -0.30 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 1of3 h GLU 70 Cb 1.14 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1of3 h GLU 70 CO 0.40 0.39 0.00 0.54 -1.18 0.00 0.00 179.01 179.16 1of3 n ARG 71 N -4.22 2.21 -0.21 1.92 1.74 -1.26 -4.59 116.66 112.25 1of3 n ARG 71 Ca -0.01 -1.85 0.07 0.00 -0.77 0.00 0.00 57.85 55.29 1of3 n ARG 71 Cb 0.31 -1.45 0.34 0.00 -1.02 0.00 0.00 32.46 30.65 1of3 n ARG 71 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1of3 h LEU 72 N 3.40 0.69 -1.43 0.55 5.85 -1.79 -0.42 115.31 122.16 1of3 h LEU 72 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1of3 h LEU 72 Cb 0.76 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1of3 h LEU 72 CO 0.00 0.43 0.00 0.77 -0.34 0.00 0.00 178.44 179.30 1of3 h SER 73 N 0.78 0.00 0.71 1.25 4.64 -1.76 -1.80 113.55 117.36 1of3 h SER 73 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1of3 h SER 73 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1of3 h SER 73 CO -0.12 0.00 -0.44 -0.62 -0.87 0.00 0.00 176.83 174.78 1of3 n GLU 74 N -2.51 0.09 -3.59 4.77 1.02 -0.17 -3.73 120.64 116.51 1of3 n GLU 74 Ca -0.00 0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 56.90 1of3 n GLU 74 Cb 0.15 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1of3 n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1of3 n GLU 76 N -0.94 2.10 -4.26 0.00 1.02 -0.40 -3.87 120.64 114.28 1of3 n GLU 76 Ca -0.04 -0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.90 1of3 n GLU 76 Cb 0.54 -0.17 -0.16 0.00 -0.02 0.00 0.00 31.44 31.64 1of3 n GLU 76 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1of3 s ILE 77 N -0.30 0.61 -0.07 -3.67 1.01 -1.06 -0.56 121.20 117.17 1of3 s ILE 77 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1of3 s ILE 77 Cb 0.00 -0.57 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 1of3 s ILE 77 CO 0.00 0.21 -0.23 -0.22 0.00 0.00 0.00 174.94 174.70 1of3 s LEU 78 N 0.36 2.19 0.06 2.97 2.96 -0.15 -0.67 118.68 126.41 1of3 s LEU 78 Ca -0.05 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 1of3 s LEU 78 Cb -0.09 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1of3 s LEU 78 CO 0.00 0.23 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.44 1of3 s GLU 79 N -0.09 1.34 0.21 1.98 2.02 0.11 -0.20 118.70 124.07 1of3 s GLU 79 Ca -0.05 -1.03 -0.20 0.00 0.02 0.00 0.00 54.97 53.70 1of3 s GLU 79 Cb -0.14 -1.52 0.04 0.00 0.10 0.00 0.00 34.13 32.61 1of3 s GLU 79 CO 0.04 0.38 0.60 1.52 0.02 0.00 0.00 175.26 177.82 1of3 s TYR 80 N -0.91 -0.27 0.04 1.61 -0.85 -0.60 -0.35 117.35 116.02 1of3 s TYR 80 Ca 0.08 -0.07 0.08 0.00 -0.52 0.00 0.00 57.07 56.64 1of3 s TYR 80 Cb -0.09 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 1of3 s TYR 80 CO 0.03 -0.99 -0.21 -0.51 -1.52 0.00 0.00 175.55 172.35 1of3 s ASP 81 N -2.85 3.61 -0.04 -0.18 1.01 -0.35 -0.36 116.67 117.50 1of3 s ASP 81 Ca 0.07 -0.48 0.06 0.00 0.71 0.00 0.00 52.55 52.91 1of3 s ASP 81 Cb -0.02 -0.51 -0.02 0.00 1.01 0.00 0.00 42.92 43.37 1of3 s ASP 81 CO -0.03 0.26 -0.21 -0.63 0.21 0.00 0.00 175.17 174.77 1of3 s ILE 82 N -0.89 2.49 -0.05 0.77 1.01 -0.11 -1.04 121.20 123.38 1of3 s ILE 82 Ca 0.14 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1of3 s ILE 82 Cb -0.10 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 1of3 s ILE 82 CO 0.04 0.58 -0.25 -0.31 0.00 0.00 0.00 174.94 175.00 1of3 s TYR 83 N -0.56 2.42 -0.10 3.97 2.02 -0.49 -1.02 117.35 123.58 1of3 s TYR 83 Ca 0.08 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.14 1of3 s TYR 83 Cb -0.11 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1of3 s TYR 83 CO 0.00 -0.18 -0.16 0.42 -1.57 0.00 0.00 175.55 174.06 1of3 s ILE 84 N -0.26 1.53 0.12 2.71 1.01 -0.36 -0.84 121.20 125.13 1of3 s ILE 84 Ca -0.01 -0.68 -0.35 0.00 0.00 0.00 0.00 60.65 59.61 1of3 s ILE 84 Cb -0.13 -1.38 -0.16 0.00 0.01 0.00 0.00 42.46 40.80 1of3 s ILE 84 CO 0.03 0.45 1.32 -2.65 0.00 0.00 0.00 174.94 174.08 1of3 n PRO 85 N 4.03 1.30 -1.66 2.79 -0.02 -1.26 0.43 135.00 140.61 1of3 n PRO 85 Ca -0.20 0.47 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 1of3 n PRO 85 Cb 0.52 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1of3 n PRO 85 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1of3 n ASN 86 N 2.46 7.92 -4.84 2.55 5.15 -0.60 -4.72 115.26 123.18 1of3 n ASN 86 Ca 0.17 -2.84 -0.31 0.00 -0.60 0.00 0.00 54.58 51.00 1of3 n ASN 86 Cb 0.22 -1.49 0.02 0.00 -0.53 0.00 0.00 39.78 38.01 1of3 n ASN 86 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1of3 s VAL 87 N 0.88 4.36 0.30 3.44 -7.23 -1.26 -4.94 120.40 115.94 1of3 s VAL 87 Ca 0.60 0.82 -0.30 0.00 -1.81 0.00 0.00 61.98 61.30 1of3 s VAL 87 Cb 0.17 -3.64 -0.12 0.00 0.56 0.00 0.00 36.38 33.36 1of3 s VAL 87 CO -0.07 -0.95 1.54 -0.62 -0.31 0.00 0.00 175.10 174.69 1of3 n GLU 88 N -2.74 2.56 -0.73 4.82 -0.58 -1.26 -2.59 120.64 120.12 1of3 n GLU 88 Ca 0.07 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 57.72 1of3 n GLU 88 Cb 0.54 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 1of3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1of3 n GLY 89 N 1.91 1.27 3.68 0.62 0.00 -1.26 -4.99 105.19 106.42 1of3 n GLY 89 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 1of3 n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1of3 n LEU 90 N 0.00 3.34 -3.75 0.99 7.94 -1.07 -4.94 117.00 119.50 1of3 n LEU 90 Ca 0.00 0.99 -0.13 0.00 -1.11 0.00 0.00 56.01 55.76 1of3 n LEU 90 Cb 0.00 -1.35 -0.10 0.00 0.53 0.00 0.00 43.42 42.50 1of3 n LEU 90 CO 0.00 -0.10 0.02 -0.54 -1.11 0.00 0.00 177.39 175.66 1of3 s LYS 91 N 3.91 0.49 0.00 1.96 1.02 -1.26 -4.68 119.74 121.18 1of3 s LYS 91 Ca 0.93 0.28 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1of3 s LYS 91 Cb -0.73 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 36.81 1of3 s LYS 91 CO 0.52 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1of3 n GLY 92 N 2.40 0.61 3.19 -3.33 0.00 -1.26 -4.04 105.19 102.76 1of3 n GLY 92 Ca -0.16 -2.21 -0.19 0.00 0.00 0.00 0.00 46.02 43.46 1of3 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1of3 s ARG 93 N -0.40 0.87 -0.04 1.61 0.52 -0.54 -0.91 118.95 120.07 1of3 s ARG 93 Ca 0.00 -1.00 0.05 0.00 -0.52 0.00 0.00 55.73 54.26 1of3 s ARG 93 Cb 0.00 -0.92 -0.02 0.00 0.52 0.00 0.00 34.95 34.53 1of3 s ARG 93 CO 0.00 0.21 -0.18 -1.17 0.02 0.00 0.00 175.30 174.18 1of3 s LEU 94 N -1.79 2.55 -0.47 2.53 2.96 -0.23 -0.23 118.68 124.00 1of3 s LEU 94 Ca -0.00 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1of3 s LEU 94 Cb -0.10 -1.50 0.37 0.00 0.50 0.00 0.00 46.19 45.46 1of3 s LEU 94 CO 0.03 0.34 0.91 0.54 -1.32 0.00 0.00 176.35 176.84 1of3 n ARG 95 N 2.32 2.38 -2.42 1.98 1.74 0.81 -1.92 116.66 121.55 1of3 n ARG 95 Ca -0.17 -4.21 -0.36 0.00 -0.77 0.00 0.00 57.85 52.34 1of3 n ARG 95 Cb 0.52 -1.98 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1of3 n ARG 95 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1of3 s PRO 96 N -3.13 3.94 0.00 5.56 0.04 -1.26 -4.35 135.00 135.80 1of3 s PRO 96 Ca 0.44 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1of3 s PRO 96 Cb 0.34 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1of3 s PRO 96 CO -0.11 -0.36 0.00 2.48 0.04 0.00 0.00 177.00 179.05 1of3 n TYR 97 N -0.35 -0.19 -3.87 0.56 4.11 -0.58 -4.52 117.16 112.33 1of3 n TYR 97 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.87 1of3 n TYR 97 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.78 1of3 n TYR 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1of3 s ALA 98 N -1.10 -0.40 -0.01 -3.48 0.00 -0.87 -1.65 121.76 114.26 1of3 s ALA 98 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1of3 s ALA 98 Cb 0.00 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1of3 s ALA 98 CO 0.00 -0.71 -0.01 0.08 0.00 0.00 0.00 175.76 175.12 1of3 s VAL 99 N -3.93 0.11 0.05 0.00 1.01 0.71 0.00 120.40 118.36 1of3 s VAL 99 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1of3 s VAL 99 Cb 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1of3 s VAL 99 CO -0.01 0.07 0.29 -0.76 0.00 0.00 0.00 175.10 174.69 1of3 s LEU 100 N 0.38 4.34 -0.03 3.92 1.43 -0.43 0.12 118.68 128.41 1of3 s LEU 100 Ca -0.03 0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 53.38 1of3 s LEU 100 Cb -0.06 -2.87 0.04 0.00 0.03 0.00 0.00 46.19 43.33 1of3 s LEU 100 CO -0.01 0.19 0.47 0.21 0.23 0.00 0.00 176.35 177.45 1of3 s ASN 101 N -1.99 -0.40 0.66 2.29 2.47 -0.61 -0.95 114.94 116.42 1of3 s ASN 101 Ca 0.32 0.35 -0.17 0.00 0.42 0.00 0.00 52.86 53.78 1of3 s ASN 101 Cb -0.13 0.42 -0.07 0.00 -1.45 0.00 0.00 41.25 40.01 1of3 s ASN 101 CO 0.20 -0.53 0.40 -2.65 -3.72 0.00 0.00 177.10 170.80 1of3 n PRO 102 N 1.08 0.32 0.00 0.43 -0.02 -1.26 -0.15 135.00 135.40 1of3 n PRO 102 Ca -0.20 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1of3 n PRO 102 Cb 0.57 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1of3 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1of3 n GLY 103 N 1.87 1.76 4.13 -1.23 0.00 -1.26 -4.59 105.19 105.87 1of3 n GLY 103 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1of3 n GLY 103 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1of3 n TRP 104 N -1.29 -1.44 -2.89 1.61 7.02 -0.92 -4.88 117.44 114.65 1of3 n TRP 104 Ca 0.00 0.56 -0.43 0.00 -1.02 0.00 0.00 57.50 56.61 1of3 n TRP 104 Cb 0.00 -3.13 -0.04 0.00 -2.42 0.00 0.00 31.31 25.71 1of3 n TRP 104 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1of3 s VAL 105 N -4.07 4.46 0.08 -0.99 1.01 -0.12 -4.87 120.40 115.89 1of3 s VAL 105 Ca 0.11 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 1of3 s VAL 105 Cb -0.05 -4.52 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 1of3 s VAL 105 CO 0.95 -1.10 1.34 -0.54 0.00 0.00 0.00 175.10 175.76 1of3 s LYS 106 N 3.76 4.34 -0.01 2.72 1.02 -1.26 -1.31 119.74 128.99 1of3 s LYS 106 Ca 0.27 1.97 0.07 0.00 0.02 0.00 0.00 55.97 58.31 1of3 s LYS 106 Cb -0.14 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1of3 s LYS 106 CO 0.17 -0.42 -0.23 0.96 -0.92 0.00 0.00 175.35 174.91 1of3 s ILE 107 N 1.38 1.85 -1.05 2.17 -4.36 0.10 -4.76 121.20 116.54 1of3 s ILE 107 Ca 0.63 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 1of3 s ILE 107 Cb -0.34 -1.54 0.00 0.00 1.25 0.00 0.00 42.46 41.83 1of3 s ILE 107 CO 0.29 0.50 0.00 0.61 0.24 0.00 0.00 174.94 176.58 1of3 n GLY 108 N 2.44 0.81 3.67 6.27 0.00 -1.26 -2.05 105.19 115.07 1of3 n GLY 108 Ca -0.16 -0.52 -0.48 0.00 0.00 0.00 0.00 46.02 44.87 1of3 n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1of3 n LEU 109 N -1.30 3.04 -3.00 0.99 7.99 -1.26 -4.32 117.00 119.15 1of3 n LEU 109 Ca -0.11 1.05 -0.11 0.00 -0.01 0.00 0.00 56.01 56.82 1of3 n LEU 109 Cb 0.42 -1.37 0.01 0.00 -0.11 0.00 0.00 43.42 42.38 1of3 n LEU 109 CO 0.16 -0.28 0.04 0.47 -1.51 0.00 0.00 177.39 176.27 1of3 n ASP 110 N 4.61 -7.53 0.00 -1.43 8.00 -1.26 -5.08 116.55 113.85 1of3 n ASP 110 Ca 0.20 0.31 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1of3 n ASP 110 Cb 0.27 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.58 1of3 n ASP 110 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1of3 n ASN 112 N -0.58 0.00 -4.78 -2.24 3.02 -1.26 -5.09 115.26 104.33 1of3 n ASN 112 Ca 0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.27 1of3 n ASN 112 Cb 0.50 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.68 1of3 n ASN 112 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1of3 s ASN 113 N 0.00 5.64 -0.11 6.41 0.02 -1.26 -4.51 114.94 121.14 1of3 s ASN 113 Ca 0.00 2.03 -0.25 0.00 -1.02 0.00 0.00 52.86 53.62 1of3 s ASN 113 Cb 0.00 -2.56 0.06 0.00 0.02 0.00 0.00 41.25 38.77 1of3 s ASN 113 CO 0.00 -1.27 0.59 0.00 0.02 0.00 0.00 177.10 176.44 1of3 s ALA 114 N -2.09 -1.49 -0.02 0.60 0.00 -0.81 -5.00 121.76 112.96 1of3 s ALA 114 Ca 0.69 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.62 1of3 s ALA 114 Cb -0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1of3 s ALA 114 CO 0.32 -0.32 1.03 1.21 0.00 0.00 0.00 175.76 177.99 1of3 s ASN 115 N -0.69 7.29 0.37 0.00 3.84 -1.26 -1.07 114.94 123.41 1of3 s ASN 115 Ca -0.08 1.68 0.09 0.00 0.21 0.00 0.00 52.86 54.76 1of3 s ASN 115 Cb -0.02 -2.57 0.71 0.00 -0.55 0.00 0.00 41.25 38.82 1of3 s ASN 115 CO 0.06 -0.35 1.87 -0.37 -2.79 0.00 0.00 177.10 175.52 1of3 h VAL 116 N 4.85 1.21 0.00 -5.21 -1.51 -1.39 -2.63 116.25 111.57 1of3 h VAL 116 Ca -0.38 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 1of3 h VAL 116 Cb 1.20 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1of3 h VAL 116 CO 0.79 0.29 0.00 -0.33 -1.23 0.00 0.00 177.57 177.09 1of3 h GLU 117 N 0.21 0.00 -0.17 5.19 5.08 -1.83 -2.91 114.58 120.15 1of3 h GLU 117 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1of3 h GLU 117 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1of3 h GLU 117 CO 0.03 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.91 1of3 n SER 118 N -2.43 2.41 -4.86 1.42 3.41 -1.00 -5.03 113.62 107.54 1of3 n SER 118 Ca 0.02 -1.72 -0.31 0.00 -0.26 0.00 0.00 58.87 56.60 1of3 n SER 118 Cb 0.28 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1of3 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1of3 s ALA 119 N -0.96 3.20 0.32 7.33 0.00 -1.10 -5.00 121.76 125.55 1of3 s ALA 119 Ca 0.18 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1of3 s ALA 119 Cb 0.11 -2.93 -0.12 0.00 0.00 0.00 0.00 23.12 20.18 1of3 s ALA 119 CO 0.15 -0.14 1.38 -1.91 0.00 0.00 0.00 175.76 175.23 1of3 n GLU 120 N -1.48 2.25 -3.92 0.00 2.13 -1.25 -4.75 120.64 113.62 1of3 n GLU 120 Ca 0.05 0.79 -0.35 0.00 0.66 0.00 0.00 57.16 58.31 1of3 n GLU 120 Cb 0.54 -2.43 -0.08 0.00 0.27 0.00 0.00 31.44 29.73 1of3 n GLU 120 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1of3 s ILE 121 N -0.75 5.12 0.20 6.31 1.01 -1.26 -0.50 121.20 131.33 1of3 s ILE 121 Ca 0.59 0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.36 1of3 s ILE 121 Cb -0.56 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1of3 s ILE 121 CO 0.58 0.50 -0.06 -0.51 0.00 0.00 0.00 174.94 175.46 1of3 s ILE 122 N -0.07 1.22 0.05 2.92 2.07 -0.58 -4.97 121.20 121.84 1of3 s ILE 122 Ca 0.08 -2.07 0.07 0.00 -1.41 0.00 0.00 60.65 57.32 1of3 s ILE 122 Cb -0.12 -2.15 -0.03 0.00 0.13 0.00 0.00 42.46 40.30 1of3 s ILE 122 CO 0.00 -0.50 -0.18 0.42 -1.91 0.00 0.00 174.94 172.77 1of3 s THR 123 N -3.30 1.48 -0.01 4.00 -4.23 -1.26 -0.64 115.64 111.68 1of3 s THR 123 Ca 0.24 -1.21 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1of3 s THR 123 Cb 0.04 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.57 1of3 s THR 123 CO 0.06 0.07 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.84 1of3 s PHE 124 N -0.91 0.26 -1.61 3.99 0.08 -0.52 -4.91 117.98 114.36 1of3 s PHE 124 Ca 0.05 -0.02 -0.08 0.00 0.12 0.00 0.00 56.93 57.00 1of3 s PHE 124 Cb -0.09 -0.27 0.08 0.00 -0.57 0.00 0.00 43.02 42.17 1of3 s PHE 124 CO 0.02 -0.06 0.35 0.41 -0.10 0.00 0.00 175.22 175.83 1of3 n GLY 125 N 3.56 -0.25 2.35 4.36 0.00 -1.26 -1.18 105.19 112.76 1of3 n GLY 125 Ca -0.20 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1of3 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1of3 n GLY 126 N -1.94 0.53 3.33 -0.02 0.00 -1.26 -5.03 105.19 100.80 1of3 n GLY 126 Ca -0.17 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 1of3 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1of3 s LYS 127 N -1.41 1.27 0.07 1.61 1.02 -0.33 -5.14 119.74 116.84 1of3 s LYS 127 Ca 0.00 -1.22 -0.08 0.00 0.02 0.00 0.00 55.97 54.69 1of3 s LYS 127 Cb 0.00 -1.62 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1of3 s LYS 127 CO 0.00 0.38 0.36 -1.21 -0.92 0.00 0.00 175.35 173.96 1of3 s GLU 128 N -1.91 3.68 0.01 1.68 2.02 -1.26 -1.43 118.70 121.49 1of3 s GLU 128 Ca 0.10 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.14 1of3 s GLU 128 Cb -0.10 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 1of3 s GLU 128 CO 0.05 0.57 -0.04 0.71 0.02 0.00 0.00 175.26 176.57 1of3 s TYR 129 N -1.42 0.31 0.14 1.61 1.51 0.19 -1.56 117.35 118.13 1of3 s TYR 129 Ca 0.33 -0.26 -0.26 0.00 -1.01 0.00 0.00 57.07 55.88 1of3 s TYR 129 Cb -0.13 -0.20 -0.07 0.00 -0.11 0.00 0.00 41.96 41.44 1of3 s TYR 129 CO 0.19 -0.07 0.79 1.03 -1.11 0.00 0.00 175.55 176.38 1of3 s ARG 130 N -0.72 4.58 -0.09 -0.62 1.81 0.17 -1.53 118.95 122.54 1of3 s ARG 130 Ca -0.06 1.17 0.02 0.00 -1.72 0.00 0.00 55.73 55.14 1of3 s ARG 130 Cb -0.05 -3.29 -0.02 0.00 -0.45 0.00 0.00 34.95 31.14 1of3 s ARG 130 CO -0.00 0.50 -0.16 0.50 -0.68 0.00 0.00 175.30 175.46 1of3 s ARG 131 N -0.88 2.98 -0.23 3.54 3.52 0.35 -1.22 118.95 127.01 1of3 s ARG 131 Ca 0.37 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1of3 s ARG 131 Cb -0.23 -2.47 0.06 0.00 -1.56 0.00 0.00 34.95 30.75 1of3 s ARG 131 CO 0.26 0.36 -0.03 -0.06 -0.81 0.00 0.00 175.30 175.02 1of3 s PHE 132 N -0.06 2.15 0.01 5.12 0.40 -0.19 -3.84 117.98 121.57 1of3 s PHE 132 Ca -0.03 -1.61 -0.16 0.00 -0.60 0.00 0.00 56.93 54.53 1of3 s PHE 132 Cb -0.14 -1.50 -0.06 0.00 0.51 0.00 0.00 43.02 41.83 1of3 s PHE 132 CO 0.04 -0.75 0.44 -1.58 0.70 0.00 0.00 175.22 174.07 1of3 s HIS 133 N 1.48 3.74 -0.09 0.36 2.46 -1.26 -0.94 115.29 121.03 1of3 s HIS 133 Ca -0.04 1.04 0.03 0.00 0.47 0.00 0.00 55.06 56.56 1of3 s HIS 133 Cb -0.19 -2.34 0.01 0.00 -0.13 0.00 0.00 32.58 29.93 1of3 s HIS 133 CO -0.07 0.61 -0.18 0.08 -2.47 0.00 0.00 174.74 172.72 1of3 s VAL 134 N -1.01 1.61 -0.08 0.89 1.01 0.51 -5.00 120.40 118.33 1of3 s VAL 134 Ca 0.25 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1of3 s VAL 134 Cb -0.17 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1of3 s VAL 134 CO 0.14 0.46 -0.11 -0.60 0.00 0.00 0.00 175.10 175.00 1of3 s ARG 135 N 0.67 1.61 -0.06 2.72 3.52 -1.26 -1.55 118.95 124.60 1of3 s ARG 135 Ca -0.13 -0.36 0.02 0.00 -0.13 0.00 0.00 55.73 55.13 1of3 s ARG 135 Cb -0.16 -1.42 0.01 0.00 -1.56 0.00 0.00 34.95 31.83 1of3 s ARG 135 CO 0.03 -0.05 -0.11 0.42 -0.81 0.00 0.00 175.30 174.79 1of3 s ILE 136 N 0.91 1.02 -0.13 4.11 1.01 0.72 -4.89 121.20 123.95 1of3 s ILE 136 Ca -0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1of3 s ILE 136 Cb -0.15 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1of3 s ILE 136 CO 0.01 0.33 0.11 -1.61 0.00 0.00 0.00 174.94 173.78 1of3 s GLU 137 N 0.67 3.52 0.18 2.79 2.02 -1.26 -0.97 118.70 125.65 1of3 s GLU 137 Ca -0.13 -0.20 -0.11 0.00 0.02 0.00 0.00 54.97 54.55 1of3 s GLU 137 Cb -0.15 -3.17 -0.00 0.00 0.10 0.00 0.00 34.13 30.91 1of3 s GLU 137 CO 0.03 0.67 0.36 -0.59 0.02 0.00 0.00 175.26 175.75 1of3 s PHE 138 N -0.71 0.31 0.26 1.61 -0.71 0.28 -4.68 117.98 114.33 1of3 s PHE 138 Ca 0.13 -0.66 -0.18 0.00 -1.04 0.00 0.00 56.93 55.18 1of3 s PHE 138 Cb -0.12 0.06 -0.08 0.00 -1.21 0.00 0.00 43.02 41.67 1of3 s PHE 138 CO 0.03 -0.80 0.73 -0.51 -1.34 0.00 0.00 175.22 173.32 1of3 s ASP 139 N -2.96 6.95 0.18 1.98 1.01 -1.26 -4.43 116.67 118.13 1of3 s ASP 139 Ca 0.17 1.36 -0.33 0.00 0.71 0.00 0.00 52.55 54.46 1of3 s ASP 139 Cb 0.02 -2.40 -0.14 0.00 1.01 0.00 0.00 42.92 41.41 1of3 s ASP 139 CO 0.01 -0.06 1.45 0.54 0.21 0.00 0.00 175.17 177.33 1of3 n ARG 140 N 0.32 1.87 -4.13 8.23 1.74 -1.25 -4.89 116.66 118.54 1of3 n ARG 140 Ca -0.00 0.67 -0.21 0.00 -0.77 0.00 0.00 57.85 57.54 1of3 n ARG 140 Cb 0.52 -2.36 -0.17 0.00 -1.02 0.00 0.00 32.46 29.43 1of3 n ARG 140 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1of3 s THR 141 N 0.43 0.60 0.48 0.55 2.01 -1.24 -5.09 115.64 113.37 1of3 s THR 141 Ca 0.76 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.50 1of3 s THR 141 Cb -0.73 -0.63 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 1of3 s THR 141 CO 0.44 0.25 0.88 0.00 -0.69 0.00 0.00 174.62 175.50 1of3 s ALA 142 N 1.08 3.22 0.00 7.40 0.00 -1.26 -3.98 121.76 128.22 1of3 s ALA 142 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1of3 s ALA 142 Cb -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1of3 s ALA 142 CO -0.01 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1of3 n GLY 143 N -1.66 1.79 3.77 0.00 0.00 -1.26 -5.01 105.19 102.81 1of3 n GLY 143 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1of3 n GLY 143 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1of3 s VAL 144 N -3.43 3.89 0.00 1.61 -7.23 -1.26 -4.14 120.40 109.84 1of3 s VAL 144 Ca 0.00 1.69 0.00 0.00 -1.81 0.00 0.00 61.98 61.86 1of3 s VAL 144 Cb 0.00 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 32.94 1of3 s VAL 144 CO 0.00 0.25 0.00 0.29 -0.31 0.00 0.00 175.10 175.33 1of3 n LYS 145 N 0.80 3.19 -5.08 4.82 4.76 0.79 -4.18 118.16 123.27 1of3 n LYS 145 Ca 0.01 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 1of3 n LYS 145 Cb 0.48 -0.65 -0.16 0.00 -1.84 0.00 0.00 35.03 32.85 1of3 n LYS 145 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1of3 s GLU 146 N -0.84 2.26 -0.19 1.97 2.02 -0.17 -0.80 118.70 122.94 1of3 s GLU 146 Ca 0.00 -0.78 -0.06 0.00 0.02 0.00 0.00 54.97 54.15 1of3 s GLU 146 Cb 0.00 -1.91 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 1of3 s GLU 146 CO 0.00 0.31 0.04 -1.17 0.02 0.00 0.00 175.26 174.45 1of3 s LEU 147 N -0.04 3.54 -0.13 1.80 2.96 -0.23 -1.57 118.68 125.01 1of3 s LEU 147 Ca -0.05 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1of3 s LEU 147 Cb -0.13 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1of3 s LEU 147 CO 0.03 0.11 0.02 -1.00 -1.32 0.00 0.00 176.35 174.20 1of3 s HIS 148 N 0.74 3.20 -0.21 5.38 3.76 0.12 -1.63 115.29 126.65 1of3 s HIS 148 Ca 0.02 0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 54.95 1of3 s HIS 148 Cb -0.14 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 1of3 s HIS 148 CO 0.02 0.33 0.09 0.42 -0.85 0.00 0.00 174.74 174.75 1of3 s ILE 149 N -0.36 4.87 -0.32 0.60 1.01 0.12 -0.21 121.20 126.91 1of3 s ILE 149 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1of3 s ILE 149 Cb -0.12 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1of3 s ILE 149 CO 0.02 0.41 0.15 -0.83 0.00 0.00 0.00 174.94 174.69 1of3 s GLY 150 N 0.75 1.86 -0.32 6.18 0.00 -0.66 -2.01 107.32 113.13 1of3 s GLY 150 Ca 0.05 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.18 1of3 s GLY 150 CO 0.02 0.72 0.20 0.14 0.00 0.00 0.00 173.10 174.18 1of3 s VAL 151 N 1.57 5.11 -0.12 1.40 1.01 -0.39 -1.53 120.40 127.44 1of3 s VAL 151 Ca 0.04 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1of3 s VAL 151 Cb -0.18 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1of3 s VAL 151 CO 0.06 0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 174.42 1of3 s VAL 152 N 1.70 1.33 0.19 2.92 1.01 -1.26 -1.45 120.40 124.84 1of3 s VAL 152 Ca 0.06 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1of3 s VAL 152 Cb -0.17 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 1of3 s VAL 152 CO 0.09 0.42 0.46 -0.83 0.00 0.00 0.00 175.10 175.24 1of3 s GLY 153 N 1.39 2.24 -0.23 4.51 0.00 0.97 -0.13 107.32 116.07 1of3 s GLY 153 Ca 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 1of3 s GLY 153 CO -0.07 -0.33 0.06 -0.35 0.00 0.00 0.00 173.10 172.41 1of3 s ASP 154 N -2.43 3.24 -1.71 1.64 -1.08 0.68 -0.51 116.67 116.50 1of3 s ASP 154 Ca 0.44 -1.06 -0.17 0.00 -0.52 0.00 0.00 52.55 51.24 1of3 s ASP 154 Cb -0.12 -0.64 0.15 0.00 -1.46 0.00 0.00 42.92 40.85 1of3 s ASP 154 CO 0.23 -0.34 0.70 1.41 0.52 0.00 0.00 175.17 177.69 1of3 n HIS 155 N 5.02 -1.62 -3.72 -5.34 8.25 -0.20 -1.46 115.22 116.14 1of3 n HIS 155 Ca -0.07 0.77 -0.37 0.00 -0.26 0.00 0.00 57.72 57.79 1of3 n HIS 155 Cb 0.45 -2.82 -0.11 0.00 1.12 0.00 0.00 29.99 28.64 1of3 n HIS 155 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1of3 s LEU 156 N -7.25 5.35 -0.29 2.41 2.96 -1.26 -4.22 118.68 116.38 1of3 s LEU 156 Ca 0.67 -2.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.16 1of3 s LEU 156 Cb -0.37 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1of3 s LEU 156 CO 0.95 -0.55 1.05 -0.60 -1.32 0.00 0.00 176.35 175.88 1of3 s ARG 157 N 1.00 4.13 -0.29 1.98 3.52 -1.26 -3.56 118.95 124.47 1of3 s ARG 157 Ca 0.09 1.15 -0.12 0.00 -0.13 0.00 0.00 55.73 56.72 1of3 s ARG 157 Cb -0.23 -3.70 0.12 0.00 -1.56 0.00 0.00 34.95 29.57 1of3 s ARG 157 CO -0.03 -0.80 0.68 -0.47 -0.81 0.00 0.00 175.30 173.86 1of3 s TYR 158 N 3.48 -1.23 -0.24 5.12 5.04 -0.05 -4.78 117.35 124.70 1of3 s TYR 158 Ca 0.44 2.21 0.01 0.00 -2.44 0.00 0.00 57.07 57.29 1of3 s TYR 158 Cb -0.13 0.74 0.06 0.00 0.35 0.00 0.00 41.96 42.97 1of3 s TYR 158 CO 0.12 -0.61 -0.06 0.34 -1.34 0.00 0.00 175.55 174.00 1of3 s ASP 159 N 2.50 3.95 0.00 4.32 -1.08 -1.26 -0.18 116.67 124.91 1of3 s ASP 159 Ca -0.07 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 1of3 s ASP 159 Cb -0.10 -1.24 0.00 0.00 -1.46 0.00 0.00 42.92 40.12 1of3 s ASP 159 CO -0.19 -0.23 0.00 0.61 0.52 0.00 0.00 175.17 175.88 1of3 n GLY 160 N 4.63 -1.75 3.78 2.66 0.00 -0.54 -5.01 105.19 108.95 1of3 n GLY 160 Ca -0.12 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1of3 n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1of3 s PRO 161 N -1.99 4.44 0.04 1.61 0.04 -1.26 -1.36 135.00 136.51 1of3 s PRO 161 Ca 0.00 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.59 1of3 s PRO 161 Cb 0.00 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1of3 s PRO 161 CO 0.00 0.12 -0.21 0.42 0.04 0.00 0.00 177.00 177.36 1of3 s ILE 162 N -1.54 1.71 0.04 0.56 1.01 0.10 -4.39 121.20 118.70 1of3 s ILE 162 Ca 0.52 -1.19 0.07 0.00 0.00 0.00 0.00 60.65 60.05 1of3 s ILE 162 Cb -0.22 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1of3 s ILE 162 CO 0.28 0.25 -0.19 -0.36 0.00 0.00 0.00 174.94 174.92 1of3 s PHE 163 N -0.77 2.53 -0.05 3.97 0.08 -0.02 -0.50 117.98 123.22 1of3 s PHE 163 Ca 0.08 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 56.90 1of3 s PHE 163 Cb -0.09 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1of3 s PHE 163 CO 0.02 0.24 -0.19 0.42 -0.10 0.00 0.00 175.22 175.61 1of3 s ILE 164 N -0.92 2.67 0.17 0.64 1.01 -0.12 -1.40 121.20 123.26 1of3 s ILE 164 Ca 0.14 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.85 1of3 s ILE 164 Cb -0.10 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 1of3 s ILE 164 CO 0.05 0.58 0.29 -0.62 0.00 0.00 0.00 174.94 175.23 1of3 s ASP 165 N -0.51 0.04 -1.23 3.58 -1.08 -0.21 -1.64 116.67 115.62 1of3 s ASP 165 Ca 0.07 -0.92 -0.02 0.00 -0.52 0.00 0.00 52.55 51.16 1of3 s ASP 165 Cb -0.11 0.44 -0.01 0.00 -1.46 0.00 0.00 42.92 41.78 1of3 s ASP 165 CO 0.01 -0.91 0.83 0.59 0.52 0.00 0.00 175.17 176.22 1of3 n ASN 166 N -0.23 -2.42 -4.66 -0.34 3.02 -1.16 -1.22 115.26 108.26 1of3 n ASN 166 Ca -0.06 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 1of3 n ASN 166 Cb 0.63 -4.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.25 1of3 n ASN 166 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1of3 s VAL 167 N -3.52 4.78 -0.04 2.41 1.01 -0.35 -4.00 120.40 120.69 1of3 s VAL 167 Ca 0.09 1.79 0.02 0.00 0.00 0.00 0.00 61.98 63.88 1of3 s VAL 167 Cb -0.02 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.16 1of3 s VAL 167 CO 0.78 -0.09 -0.08 -0.13 0.00 0.00 0.00 175.10 175.58 1of3 s ARG 168 N 2.82 1.02 -0.08 2.72 0.52 0.52 -0.45 118.95 126.02 1of3 s ARG 168 Ca 0.40 -0.25 0.04 0.00 -0.52 0.00 0.00 55.73 55.40 1of3 s ARG 168 Cb -0.16 -0.94 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 1of3 s ARG 168 CO 0.08 0.03 -0.19 -0.51 0.02 0.00 0.00 175.30 174.73 1of3 s LEU 169 N 0.51 2.39 0.07 2.53 1.43 0.03 -0.72 118.68 124.93 1of3 s LEU 169 Ca -0.08 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1of3 s LEU 169 Cb -0.12 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1of3 s LEU 169 CO 0.01 0.25 -0.24 -0.31 0.23 0.00 0.00 176.35 176.29 1of3 s TYR 170 N -0.15 2.08 0.21 0.29 1.51 0.15 0.06 117.35 121.51 1of3 s TYR 170 Ca -0.03 -0.39 0.11 0.00 -1.01 0.00 0.00 57.07 55.75 1of3 s TYR 170 Cb -0.14 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1of3 s TYR 170 CO 0.04 0.16 -0.19 -1.59 -1.11 0.00 0.00 175.55 172.86 1of3 s LYS 171 N -1.46 1.70 0.55 -0.62 -2.85 -0.46 -1.28 119.74 115.32 1of3 s LYS 171 Ca 0.10 -1.52 -0.21 0.00 -1.00 0.00 0.00 55.97 53.34 1of3 s LYS 171 Cb -0.10 -1.91 -0.05 0.00 -2.06 0.00 0.00 37.83 33.72 1of3 s LYS 171 CO 0.03 0.39 1.26 0.50 0.10 0.00 0.00 175.35 177.63 1of3 s ARG 172 N -2.93 3.20 0.00 1.78 3.52 -1.26 -0.89 118.95 122.37 1of3 s ARG 172 Ca 0.24 1.98 0.17 0.00 -0.13 0.00 0.00 55.73 57.99 1of3 s ARG 172 Cb -0.07 -2.16 1.01 0.00 -1.56 0.00 0.00 34.95 32.16 1of3 s ARG 172 CO 0.12 -1.07 1.41 0.25 -0.81 0.00 0.00 175.30 175.21