#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r61 n ALA 0 N 0.00 0.00 -1.76 0.00 0.00 -1.26 -5.05 120.51 112.44 1r61 n ALA 0 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1r61 n ALA 0 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1r61 n ALA 0 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1r61 s MET 1 N 2.58 4.15 -0.08 0.00 1.75 -1.26 -5.00 119.30 121.44 1r61 s MET 1 Ca 0.00 2.53 -0.14 0.00 -1.25 0.00 0.00 55.69 56.83 1r61 s MET 1 Cb 0.00 -3.62 -0.05 0.00 2.84 0.00 0.00 34.83 34.00 1r61 s MET 1 CO 0.00 -0.82 0.35 0.15 -0.65 0.00 0.00 175.02 174.05 1r61 s LYS 2 N 2.78 4.01 -0.09 4.11 3.01 -1.26 -4.99 119.74 127.31 1r61 s LYS 2 Ca 0.80 0.26 0.04 0.00 -1.01 0.00 0.00 55.97 56.05 1r61 s LYS 2 Cb -0.44 -3.30 -0.01 0.00 -1.01 0.00 0.00 37.83 33.07 1r61 s LYS 2 CO 0.36 0.50 -0.23 0.08 0.51 0.00 0.00 175.35 176.57 1r61 s VAL 3 N -0.40 2.18 -0.09 3.17 1.01 -1.26 -1.38 120.40 123.63 1r61 s VAL 3 Ca 0.21 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1r61 s VAL 3 Cb -0.15 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1r61 s VAL 3 CO 0.09 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.24 1r61 s TYR 4 N 0.16 2.62 -0.25 5.22 2.02 0.11 -4.95 117.35 122.28 1r61 s TYR 4 Ca -0.13 -0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 55.68 1r61 s TYR 4 Cb -0.16 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.65 1r61 s TYR 4 CO 0.07 -0.23 0.38 0.34 -1.57 0.00 0.00 175.55 174.54 1r61 s ASP 5 N 0.08 6.31 -0.27 2.29 2.15 -1.26 -0.76 116.67 125.21 1r61 s ASP 5 Ca -0.09 0.36 0.09 0.00 0.43 0.00 0.00 52.55 53.34 1r61 s ASP 5 Cb -0.15 -2.22 0.45 0.00 -0.30 0.00 0.00 42.92 40.70 1r61 s ASP 5 CO 0.06 -0.15 1.27 1.33 -0.17 0.00 0.00 175.17 177.51 1r61 n VAL 6 N 4.88 2.44 -4.40 1.11 0.24 -0.56 -4.97 118.33 117.08 1r61 n VAL 6 Ca -0.08 -3.56 -0.34 0.00 -2.04 0.00 0.00 64.34 58.31 1r61 n VAL 6 Cb 0.51 -0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 32.12 1r61 n VAL 6 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1r61 s THR 7 N -3.85 4.12 0.26 3.34 2.01 -1.26 -0.91 115.64 119.35 1r61 s THR 7 Ca 0.45 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1r61 s THR 7 Cb 0.40 -2.76 -0.09 0.00 0.01 0.00 0.00 72.50 70.06 1r61 s THR 7 CO -0.01 0.56 1.10 0.00 -0.69 0.00 0.00 174.62 175.57 1r61 s ALA 8 N -0.39 3.40 0.43 7.40 0.00 -1.26 -4.90 121.76 126.45 1r61 s ALA 8 Ca 0.07 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 1r61 s ALA 8 Cb -0.12 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1r61 s ALA 8 CO 0.02 -0.17 1.10 -1.25 0.00 0.00 0.00 175.76 175.46 1r61 s PRO 9 N -1.20 3.95 -0.19 0.00 0.04 -1.26 -4.58 135.00 131.76 1r61 s PRO 9 Ca 0.46 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 1r61 s PRO 9 Cb -0.31 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1r61 s PRO 9 CO 0.40 -0.34 0.02 0.42 0.04 0.00 0.00 177.00 177.53 1r61 s ILE 10 N -1.64 4.27 0.03 0.56 1.01 -1.26 -4.98 121.20 119.18 1r61 s ILE 10 Ca 0.61 -0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 1r61 s ILE 10 Cb -0.24 -2.92 0.09 0.00 0.01 0.00 0.00 42.46 39.39 1r61 s ILE 10 CO 0.30 0.44 0.76 -0.72 0.00 0.00 0.00 174.94 175.72 1r61 s TYR 11 N 0.71 -0.48 0.12 3.97 -0.85 -1.26 -5.08 117.35 114.49 1r61 s TYR 11 Ca 0.01 0.47 -0.31 0.00 -0.52 0.00 0.00 57.07 56.72 1r61 s TYR 11 Cb -0.14 0.51 -0.10 0.00 0.38 0.00 0.00 41.96 42.62 1r61 s TYR 11 CO 0.02 -0.64 1.70 -1.21 -1.52 0.00 0.00 175.55 173.90 1r61 s GLU 12 N -2.76 4.17 0.00 -3.49 2.02 -1.26 -1.79 118.70 115.59 1r61 s GLU 12 Ca -0.00 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.44 1r61 s GLU 12 Cb -0.01 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1r61 s GLU 12 CO -0.06 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 174.89 1r61 n GLY 13 N 4.02 0.51 3.62 -1.39 0.00 -1.26 -5.08 105.19 105.61 1r61 n GLY 13 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1r61 n GLY 13 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1r61 s MET 14 N -0.94 0.41 0.18 1.61 0.23 -0.74 -4.92 119.30 115.13 1r61 s MET 14 Ca 0.00 1.32 -0.32 0.00 -1.03 0.00 0.00 55.69 55.66 1r61 s MET 14 Cb 0.00 -1.67 -0.12 0.00 -1.53 0.00 0.00 34.83 31.50 1r61 s MET 14 CO 0.00 -2.97 1.72 -2.30 -2.03 0.00 0.00 175.02 169.44 1r61 n PRO 15 N -4.45 2.64 -4.34 3.16 -0.02 -1.26 -5.00 135.00 125.72 1r61 n PRO 15 Ca 0.09 0.95 -0.18 0.00 -2.02 0.00 0.00 63.50 62.35 1r61 n PRO 15 Cb 0.53 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 1r61 n PRO 15 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1r61 s VAL 16 N 1.47 0.87 0.17 -1.45 -7.23 -1.26 -4.76 120.40 108.20 1r61 s VAL 16 Ca 0.78 -2.01 -0.32 0.00 -1.81 0.00 0.00 61.98 58.62 1r61 s VAL 16 Cb -0.54 -2.53 -0.11 0.00 0.56 0.00 0.00 36.38 33.76 1r61 s VAL 16 CO 0.35 -0.15 1.66 -0.47 -0.31 0.00 0.00 175.10 176.18 1r61 s TYR 17 N -3.53 2.86 -1.22 2.82 5.04 -1.26 -1.57 117.35 120.48 1r61 s TYR 17 Ca 0.33 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1r61 s TYR 17 Cb 0.07 -4.04 0.00 0.00 0.35 0.00 0.00 41.96 38.34 1r61 s TYR 17 CO 0.12 -3.95 0.00 1.63 -1.34 0.00 0.00 175.55 172.01 1r61 n LYS 18 N 4.28 -1.66 -0.82 4.97 5.02 -1.26 -1.80 118.16 126.89 1r61 n LYS 18 Ca 0.15 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1r61 n LYS 18 Cb 0.37 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1r61 n LYS 18 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r61 n ASN 19 N -0.99 -4.53 -4.68 4.39 5.03 -0.61 -4.92 115.26 108.96 1r61 n ASN 19 Ca -0.13 0.00 -0.49 0.00 0.87 0.00 0.00 54.58 54.83 1r61 n ASN 19 Cb 0.49 -3.01 -0.05 0.00 -1.02 0.00 0.00 39.78 36.20 1r61 n ASN 19 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1r61 n LYS 20 N 0.52 2.12 0.15 3.52 5.02 -0.74 -4.87 118.16 123.87 1r61 n LYS 20 Ca 0.00 0.78 0.13 0.00 -2.02 0.00 0.00 58.31 57.20 1r61 n LYS 20 Cb 0.38 -2.62 0.44 0.00 -0.02 0.00 0.00 35.03 33.21 1r61 n LYS 20 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1r61 h PRO 21 N 9.17 0.00 0.00 1.97 0.11 -1.91 -1.88 132.00 139.45 1r61 h PRO 21 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1r61 h PRO 21 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1r61 h PRO 21 CO 0.95 0.00 -0.25 0.93 -0.21 0.00 0.00 178.00 179.42 1r61 h GLU 22 N 0.00 0.00 0.00 1.05 3.07 -1.98 -3.07 114.58 113.65 1r61 h GLU 22 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1r61 h GLU 22 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1r61 h GLU 22 CO 0.00 0.25 0.00 1.63 -1.40 0.00 0.00 179.01 179.49 1r61 n LYS 23 N -3.75 0.50 -2.25 2.33 5.02 -0.71 -4.88 118.16 114.42 1r61 n LYS 23 Ca -0.01 0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.91 1r61 n LYS 23 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1r61 n LYS 23 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1r61 s GLN 24 N -2.42 4.26 0.61 1.97 -1.52 -1.16 -4.56 119.66 116.84 1r61 s GLN 24 Ca 0.29 1.98 -0.17 0.00 -1.95 0.00 0.00 55.36 55.51 1r61 s GLN 24 Cb 0.18 -2.91 -0.02 0.00 -0.22 0.00 0.00 33.01 30.03 1r61 s GLN 24 CO 0.37 -0.19 1.12 -1.25 -0.25 0.00 0.00 175.29 175.10 1r61 s PRO 25 N -1.96 3.01 -0.11 2.91 0.04 -1.26 -4.76 135.00 132.87 1r61 s PRO 25 Ca 0.52 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 1r61 s PRO 25 Cb -0.34 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1r61 s PRO 25 CO 0.45 -1.10 -0.08 0.21 0.04 0.00 0.00 177.00 176.52 1r61 s LYS 26 N -3.79 1.57 0.12 4.56 2.20 0.30 -4.44 119.74 120.26 1r61 s LYS 26 Ca 0.69 -0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 55.82 1r61 s LYS 26 Cb -0.22 -1.57 -0.07 0.00 -1.51 0.00 0.00 37.83 34.46 1r61 s LYS 26 CO 0.36 -0.23 0.63 1.03 -0.36 0.00 0.00 175.35 176.79 1r61 s ARG 27 N 1.57 4.26 -0.00 4.03 0.52 -1.26 -0.63 118.95 127.43 1r61 s ARG 27 Ca 0.02 0.82 0.02 0.00 -0.52 0.00 0.00 55.73 56.08 1r61 s ARG 27 Cb -0.13 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 1r61 s ARG 27 CO -0.07 0.57 -0.07 0.99 0.02 0.00 0.00 175.30 176.74 1r61 s THR 28 N -1.22 0.58 0.46 0.02 2.01 -0.69 -4.98 115.64 111.80 1r61 s THR 28 Ca 0.33 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1r61 s THR 28 Cb -0.19 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1r61 s THR 28 CO 0.21 0.14 0.16 -0.89 -0.69 0.00 0.00 174.62 173.55 1r61 s THR 29 N -0.22 1.90 -0.30 -0.82 2.01 -1.26 -1.12 115.64 115.83 1r61 s THR 29 Ca 0.02 -1.77 -0.06 0.00 0.31 0.00 0.00 61.69 60.19 1r61 s THR 29 Cb -0.03 -2.67 0.18 0.00 0.01 0.00 0.00 72.50 69.99 1r61 s THR 29 CO -0.00 0.00 0.79 -0.63 -0.69 0.00 0.00 174.62 174.09 1r61 s ILE 30 N -2.70 -0.71 0.52 1.82 1.01 -1.26 -4.83 121.20 115.04 1r61 s ILE 30 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.80 1r61 s ILE 30 Cb 0.03 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.42 1r61 s ILE 30 CO 0.17 0.00 0.99 -0.89 0.00 0.00 0.00 174.94 175.22 1r61 s THR 31 N 2.90 4.44 0.00 2.92 2.01 -1.26 -4.30 115.64 122.35 1r61 s THR 31 Ca 0.11 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.32 1r61 s THR 31 Cb -0.13 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1r61 s THR 31 CO -0.17 -0.64 0.00 0.59 -0.69 0.00 0.00 174.62 173.72 1r61 n ASN 32 N -1.54 0.00 0.00 3.53 4.13 -1.26 -5.14 115.26 114.98 1r61 n ASN 32 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1r61 n ASN 32 Cb 0.54 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 1r61 n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r61 n GLY 33 N 1.88 2.00 3.35 7.41 0.00 -1.26 -5.08 105.19 113.48 1r61 n GLY 33 Ca 0.00 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.92 1r61 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1r61 s TYR 34 N 4.22 3.16 0.00 1.61 1.13 -1.26 -4.87 117.35 121.34 1r61 s TYR 34 Ca 0.00 -1.08 0.00 0.00 -1.41 0.00 0.00 57.07 54.58 1r61 s TYR 34 Cb 0.00 -3.76 0.00 0.00 -1.10 0.00 0.00 41.96 37.10 1r61 s TYR 34 CO 0.00 -1.08 0.00 0.28 -2.51 0.00 0.00 175.55 172.24 1r61 n VAL 35 N 5.36 0.00 -1.48 -3.49 0.31 -1.26 -5.14 118.33 112.63 1r61 n VAL 35 Ca -0.12 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.82 1r61 n VAL 35 Cb 0.42 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.37 1r61 n VAL 35 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1r61 n THR 36 N 0.00 2.15 0.00 2.52 -1.04 -1.26 -4.88 114.28 111.77 1r61 n THR 36 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1r61 n THR 36 Cb 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1r61 n THR 36 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1r61 n GLU 37 N 0.16 0.00 -1.24 -2.82 4.07 -1.26 -5.08 120.64 114.46 1r61 n GLU 37 Ca 0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1r61 n GLU 37 Cb 0.44 -0.11 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 1r61 n GLU 37 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1r61 n SER 38 N -1.93 -1.30 -4.11 4.31 3.41 -1.25 -4.99 113.62 107.76 1r61 n SER 38 Ca 0.00 0.45 -0.10 0.00 -0.26 0.00 0.00 58.87 58.97 1r61 n SER 38 Cb 0.00 -2.03 -0.10 0.00 -0.26 0.00 0.00 64.21 61.82 1r61 n SER 38 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r61 s ARG 39 N -2.48 0.66 -0.08 4.33 0.52 -0.28 -4.98 118.95 116.63 1r61 s ARG 39 Ca 0.00 -1.13 0.03 0.00 -0.52 0.00 0.00 55.73 54.11 1r61 s ARG 39 Cb 0.00 -0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.43 1r61 s ARG 39 CO 0.00 -0.04 -0.15 -1.50 0.02 0.00 0.00 175.30 173.62 1r61 s ILE 40 N -3.14 1.41 -0.21 1.52 1.10 -1.26 -1.71 121.20 118.91 1r61 s ILE 40 Ca 0.04 -0.63 -0.03 0.00 -0.51 0.00 0.00 60.65 59.51 1r61 s ILE 40 Cb 0.02 -1.27 -0.01 0.00 0.15 0.00 0.00 42.46 41.36 1r61 s ILE 40 CO -0.05 0.42 -0.06 -0.62 -2.11 0.00 0.00 174.94 172.52 1r61 s ASP 41 N 0.65 4.21 -0.10 4.50 -1.08 0.19 -5.00 116.67 120.04 1r61 s ASP 41 Ca -0.14 -0.40 -0.16 0.00 -0.52 0.00 0.00 52.55 51.32 1r61 s ASP 41 Cb -0.16 -1.71 0.04 0.00 -1.46 0.00 0.00 42.92 39.62 1r61 s ASP 41 CO 0.04 -0.01 0.41 0.00 0.52 0.00 0.00 175.17 176.14 1r61 s MET 42 N 1.40 0.60 0.27 4.34 0.23 -1.26 -0.54 119.30 124.34 1r61 s MET 42 Ca 0.05 0.32 -0.31 0.00 -1.03 0.00 0.00 55.69 54.72 1r61 s MET 42 Cb -0.14 0.28 -0.12 0.00 -1.53 0.00 0.00 34.83 33.32 1r61 s MET 42 CO -0.04 -0.12 1.57 -3.47 -2.03 0.00 0.00 175.02 170.93 1r61 n ASP 43 N 2.18 3.59 0.05 -1.18 2.03 -1.26 -4.89 116.55 117.07 1r61 n ASP 43 Ca -0.16 1.13 0.07 0.00 0.52 0.00 0.00 54.79 56.35 1r61 n ASP 43 Cb 0.57 -1.55 0.32 0.00 -0.72 0.00 0.00 41.12 39.74 1r61 n ASP 43 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1r61 n VAL 44 N 2.35 1.17 -0.56 5.18 0.24 -1.26 -1.71 118.33 123.73 1r61 n VAL 44 Ca 0.10 0.35 0.09 0.00 -2.04 0.00 0.00 64.34 62.84 1r61 n VAL 44 Cb 0.35 -1.22 0.29 0.00 -1.47 0.00 0.00 33.84 31.79 1r61 n VAL 44 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1r61 n HIS 45 N -1.76 1.11 -1.78 6.34 8.25 -1.26 -3.64 115.22 122.48 1r61 n HIS 45 Ca 0.02 -0.62 -0.42 0.00 -0.26 0.00 0.00 57.72 56.44 1r61 n HIS 45 Cb 0.14 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 1r61 n HIS 45 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1r61 s THR 46 N -1.74 2.14 0.00 1.59 2.01 -0.69 -4.89 115.64 114.06 1r61 s THR 46 Ca 0.43 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1r61 s THR 46 Cb 0.28 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1r61 s THR 46 CO 0.21 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1r61 n GLY 47 N 3.27 3.07 3.69 4.40 0.00 -1.26 -4.27 105.19 114.08 1r61 n GLY 47 Ca 0.13 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1r61 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r61 s THR 48 N 0.00 4.81 0.23 2.61 2.01 -1.24 -4.10 115.64 119.95 1r61 s THR 48 Ca 0.00 1.99 -0.22 0.00 0.31 0.00 0.00 61.69 63.77 1r61 s THR 48 Cb 0.00 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.26 1r61 s THR 48 CO 0.00 0.03 0.71 -1.38 -0.69 0.00 0.00 174.62 173.30 1r61 s HIS 49 N 1.87 -0.29 -0.06 4.92 -0.00 -0.48 -1.59 115.29 119.66 1r61 s HIS 49 Ca 0.48 -0.08 0.05 0.00 -0.00 0.00 0.00 55.06 55.50 1r61 s HIS 49 Cb -0.18 0.66 -0.02 0.00 -0.00 0.00 0.00 32.58 33.03 1r61 s HIS 49 CO 0.19 -1.07 -0.19 0.42 -0.00 0.00 0.00 174.74 174.08 1r61 s ILE 50 N -3.79 2.64 -0.25 -5.38 1.01 -0.47 -1.08 121.20 113.89 1r61 s ILE 50 Ca 0.08 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1r61 s ILE 50 Cb -0.04 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1r61 s ILE 50 CO 0.01 0.58 0.24 -0.62 0.00 0.00 0.00 174.94 175.14 1r61 s ASP 51 N -0.43 6.16 0.08 3.58 3.68 -0.56 -2.00 116.67 127.19 1r61 s ASP 51 Ca 0.05 0.17 -0.30 0.00 2.13 0.00 0.00 52.55 54.60 1r61 s ASP 51 Cb -0.12 -2.14 -0.05 0.00 -1.45 0.00 0.00 42.92 39.16 1r61 s ASP 51 CO 0.02 -0.02 0.96 0.00 0.13 0.00 0.00 175.17 176.26 1r61 s ALA 52 N 1.41 3.22 0.22 3.66 0.00 -0.91 -4.41 121.76 124.95 1r61 s ALA 52 Ca 0.10 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.69 1r61 s ALA 52 Cb -0.15 -3.29 0.67 0.00 0.00 0.00 0.00 23.12 20.35 1r61 s ALA 52 CO 0.07 -0.08 1.04 -2.30 0.00 0.00 0.00 175.76 174.50 1r61 n PRO 53 N 3.06 -0.05 -0.25 0.00 -0.02 -1.22 -0.83 135.00 135.70 1r61 n PRO 53 Ca 0.03 0.96 0.32 0.00 -2.02 0.00 0.00 63.50 62.79 1r61 n PRO 53 Cb 0.50 -1.60 0.60 0.00 -0.02 0.00 0.00 33.50 32.97 1r61 n PRO 53 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1r61 h LEU 54 N 0.00 0.00 -0.70 2.45 6.46 0.05 -1.79 115.31 121.78 1r61 h LEU 54 Ca 0.47 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 58.18 1r61 h LEU 54 Cb 1.10 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.00 1r61 h LEU 54 CO -0.57 0.00 0.26 -0.74 -0.62 0.00 0.00 178.44 176.76 1r61 h HIS 55 N 0.00 1.09 -0.01 1.25 2.76 -1.16 -3.26 115.15 115.82 1r61 h HIS 55 Ca 0.52 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1r61 h HIS 55 Cb 2.65 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 31.28 1r61 h HIS 55 CO 0.00 0.85 -0.10 -1.33 -1.30 0.00 0.00 177.93 176.05 1r61 n MET 56 N -4.34 1.55 -4.56 5.26 2.81 -0.91 -4.99 117.12 111.94 1r61 n MET 56 Ca 0.05 -0.66 -0.33 0.00 -1.81 0.00 0.00 57.70 54.95 1r61 n MET 56 Cb 0.19 -1.05 -0.15 0.00 -0.71 0.00 0.00 33.22 31.51 1r61 n MET 56 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1r61 s VAL 57 N -0.97 2.86 0.18 2.03 1.01 -0.72 -5.06 120.40 119.72 1r61 s VAL 57 Ca 0.07 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 1r61 s VAL 57 Cb 0.06 -2.21 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 1r61 s VAL 57 CO 0.16 0.51 1.57 -1.61 0.00 0.00 0.00 175.10 175.73 1r61 s GLU 58 N 0.72 4.21 -0.84 2.72 2.02 -1.26 -2.18 118.70 124.09 1r61 s GLU 58 Ca -0.06 2.38 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1r61 s GLU 58 Cb -0.15 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 30.93 1r61 s GLU 58 CO 0.02 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1r61 n GLY 59 N 3.65 0.85 3.72 -1.39 0.00 -1.26 -4.97 105.19 105.79 1r61 n GLY 59 Ca 0.13 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1r61 n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r61 s GLY 60 N -2.40 1.59 0.58 -0.02 0.00 -0.93 -4.96 107.32 101.19 1r61 s GLY 60 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 44.72 44.27 1r61 s GLY 60 CO 0.00 0.29 1.30 0.00 0.00 0.00 0.00 173.10 174.69 1r61 s ALA 61 N -3.02 2.65 0.35 3.20 0.00 -1.26 -4.12 121.76 119.57 1r61 s ALA 61 Ca 0.64 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.90 1r61 s ALA 61 Cb -0.17 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 1r61 s ALA 61 CO 0.56 -1.36 0.02 -0.08 0.00 0.00 0.00 175.76 174.91 1r61 s THR 62 N -1.39 2.53 0.22 0.00 -1.32 -1.26 0.64 115.64 115.05 1r61 s THR 62 Ca 0.75 -1.97 -0.08 0.00 -1.21 0.00 0.00 61.69 59.19 1r61 s THR 62 Cb -0.37 -2.82 0.16 0.00 -1.51 0.00 0.00 72.50 67.96 1r61 s THR 62 CO 0.42 -0.17 1.78 0.15 -2.21 0.00 0.00 174.62 174.59 1r61 h PHE 63 N 1.79 0.61 0.00 9.09 3.04 -0.43 -2.26 116.94 128.78 1r61 h PHE 63 Ca -0.43 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.55 1r61 h PHE 63 Cb 1.25 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1r61 h PHE 63 CO 0.70 0.24 0.00 1.05 -2.02 0.00 0.00 178.31 178.28 1r61 h GLU 64 N 0.59 0.00 0.00 1.11 9.09 -1.87 -1.20 114.58 122.31 1r61 h GLU 64 Ca 0.32 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.62 1r61 h GLU 64 Cb 0.30 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.39 1r61 h GLU 64 CO -0.24 0.00 -0.52 1.15 0.05 0.00 0.00 179.01 179.45 1r61 h THR 65 N 0.00 1.17 -2.31 -1.06 2.02 -1.76 -3.43 112.91 107.54 1r61 h THR 65 Ca 0.00 -1.90 -0.54 0.00 0.77 0.00 0.00 66.41 64.74 1r61 h THR 65 Cb 0.19 2.09 0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1r61 h THR 65 CO 0.00 0.51 1.24 -0.38 0.37 0.00 0.00 175.52 177.26 1r61 n ILE 66 N -3.63 0.74 -2.39 3.11 2.08 -0.45 -4.94 119.36 113.87 1r61 n ILE 66 Ca -0.01 -0.16 -0.43 0.00 0.56 0.00 0.00 62.75 62.72 1r61 n ILE 66 Cb 0.59 -2.31 -0.02 0.00 -0.75 0.00 0.00 39.64 37.14 1r61 n ILE 66 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1r61 s PRO 67 N 4.56 4.28 0.46 0.38 0.04 -1.26 -4.88 135.00 138.59 1r61 s PRO 67 Ca 0.90 1.74 0.34 0.00 0.04 0.00 0.00 61.00 64.02 1r61 s PRO 67 Cb -0.45 -3.67 1.50 0.00 0.04 0.00 0.00 34.50 31.92 1r61 s PRO 67 CO 0.42 -0.60 1.61 1.25 0.04 0.00 0.00 177.00 179.72 1r61 h LEU 68 N 8.99 0.18 -0.38 -3.56 5.85 -1.92 -2.26 115.31 122.21 1r61 h LEU 68 Ca -0.32 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1r61 h LEU 68 Cb 1.14 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1r61 h LEU 68 CO 0.93 -0.16 0.00 0.78 -0.34 0.00 0.00 178.44 179.64 1r61 h ASN 69 N 0.05 0.00 1.82 1.25 2.35 -1.89 -0.50 115.58 118.65 1r61 h ASN 69 Ca 0.85 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.60 1r61 h ASN 69 Cb 2.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.21 1r61 h ASN 69 CO -0.35 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 175.87 1r61 h ASP 70 N 0.00 0.00 -0.15 5.81 3.32 -1.81 -3.31 116.42 120.28 1r61 h ASP 70 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r61 h ASP 70 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1r61 h ASP 70 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1r61 n LEU 71 N -2.85 2.20 -3.77 1.55 4.77 -0.21 -4.75 117.00 113.94 1r61 n LEU 71 Ca 0.04 -0.85 -0.23 0.00 -0.03 0.00 0.00 56.01 54.94 1r61 n LEU 71 Cb 0.50 -0.09 -0.18 0.00 -2.33 0.00 0.00 43.42 41.32 1r61 n LEU 71 CO 0.33 0.43 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.74 1r61 s VAL 72 N -1.82 0.37 -5.00 4.08 1.01 -1.13 -1.15 120.40 116.76 1r61 s VAL 72 Ca 0.34 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1r61 s VAL 72 Cb 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1r61 s VAL 72 CO 0.30 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1r61 n GLY 73 N 5.15 0.56 3.75 4.51 0.00 -0.73 -4.88 105.19 113.54 1r61 n GLY 73 Ca -0.07 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 1r61 n GLY 73 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1r61 s PRO 74 N -1.82 2.93 0.20 1.61 0.02 -1.26 -0.34 135.00 136.34 1r61 s PRO 74 Ca 0.00 2.04 -0.08 0.00 0.02 0.00 0.00 61.00 62.98 1r61 s PRO 74 Cb 0.00 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.47 1r61 s PRO 74 CO 0.00 -1.30 0.30 0.00 -0.33 0.00 0.00 177.00 175.68 1r61 s LYS 76 N -4.04 2.44 -0.22 0.00 1.02 0.12 -2.37 119.74 116.69 1r61 s LYS 76 Ca 0.25 -0.90 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 1r61 s LYS 76 Cb 0.03 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 1r61 s LYS 76 CO 0.07 0.44 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.72 1r61 s LEU 77 N -0.31 2.91 -0.09 3.17 2.96 -0.46 -0.17 118.68 126.69 1r61 s LEU 77 Ca 0.01 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1r61 s LEU 77 Cb -0.13 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 1r61 s LEU 77 CO 0.02 -0.01 -0.00 -0.36 -1.32 0.00 0.00 176.35 174.68 1r61 s PHE 78 N 1.40 3.14 -0.44 5.38 0.08 0.09 -1.62 117.98 126.01 1r61 s PHE 78 Ca 0.05 0.15 -0.28 0.00 0.12 0.00 0.00 56.93 56.97 1r61 s PHE 78 Cb -0.14 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1r61 s PHE 78 CO -0.03 0.42 1.05 0.34 -0.10 0.00 0.00 175.22 176.90 1r61 s ASP 79 N -0.76 6.65 -0.20 1.36 -1.08 -1.26 -1.97 116.67 119.41 1r61 s ASP 79 Ca 0.12 0.48 0.14 0.00 -0.52 0.00 0.00 52.55 52.77 1r61 s ASP 79 Cb -0.11 -2.51 0.44 0.00 -1.46 0.00 0.00 42.92 39.27 1r61 s ASP 79 CO 0.02 -1.09 1.19 0.18 0.52 0.00 0.00 175.17 175.99 1r61 n LEU 80 N 7.39 2.81 0.24 -1.34 4.77 0.20 -4.82 117.00 126.26 1r61 n LEU 80 Ca 0.10 -3.65 0.15 0.00 -0.03 0.00 0.00 56.01 52.57 1r61 n LEU 80 Cb 0.48 -0.27 0.50 0.00 -2.33 0.00 0.00 43.42 41.80 1r61 n LEU 80 CO 0.66 1.37 0.92 0.71 -1.33 0.00 0.00 177.39 179.72 1r61 h THR 81 N 2.97 0.00 0.00 -5.08 1.35 -1.84 -2.91 112.91 107.39 1r61 h THR 81 Ca 0.03 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1r61 h THR 81 Cb 1.34 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1r61 h THR 81 CO 0.23 0.00 0.00 1.12 -0.25 0.00 0.00 175.52 176.62 1r61 h HIS 82 N 0.00 0.00 -4.09 4.73 2.07 -1.91 -3.39 115.15 112.55 1r61 h HIS 82 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1r61 h HIS 82 Cb 0.66 0.00 0.08 0.00 2.57 0.00 0.00 27.41 30.73 1r61 h HIS 82 CO 0.00 0.00 0.44 0.08 -3.07 0.00 0.00 177.93 175.38 1r61 s VAL 83 N -3.32 3.02 0.07 6.12 1.01 -1.10 -5.05 120.40 121.15 1r61 s VAL 83 Ca 0.06 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.74 1r61 s VAL 83 Cb 0.09 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1r61 s VAL 83 CO 0.53 -0.15 -0.20 0.20 0.00 0.00 0.00 175.10 175.48 1r61 s ASN 84 N -1.76 2.42 0.00 3.32 0.01 -1.26 -4.77 114.94 112.89 1r61 s ASN 84 Ca 0.74 -0.59 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1r61 s ASN 84 Cb -0.25 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.24 1r61 s ASN 84 CO 0.29 0.10 0.00 -0.67 -1.51 0.00 0.00 177.10 175.31 1r61 n ASP 85 N 1.49 0.00 -3.54 -1.22 2.03 -1.26 -4.76 116.55 109.29 1r61 n ASP 85 Ca -0.18 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.03 1r61 n ASP 85 Cb 0.54 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1r61 n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r61 s ARG 86 N 0.00 0.71 -0.35 -0.67 1.70 -1.26 -3.41 118.95 115.67 1r61 s ARG 86 Ca 0.00 -0.07 -0.21 0.00 -0.47 0.00 0.00 55.73 54.98 1r61 s ARG 86 Cb 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1r61 s ARG 86 CO 0.00 -0.27 0.69 0.42 -1.08 0.00 0.00 175.30 175.06 1r61 s ILE 87 N -2.12 4.84 0.48 4.99 1.01 0.18 -4.90 121.20 125.69 1r61 s ILE 87 Ca 0.01 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.43 1r61 s ILE 87 Cb -0.01 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.36 1r61 s ILE 87 CO -0.03 -0.32 0.70 0.42 0.00 0.00 0.00 174.94 175.71 1r61 s THR 88 N 2.83 3.48 0.21 2.92 -4.23 -1.26 -1.22 115.64 118.37 1r61 s THR 88 Ca 0.27 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 60.03 1r61 s THR 88 Cb -0.14 -3.29 0.22 0.00 1.34 0.00 0.00 72.50 70.63 1r61 s THR 88 CO 0.15 -0.20 1.59 0.50 -0.54 0.00 0.00 174.62 176.12 1r61 h LYS 89 N 0.29 -0.07 0.00 3.99 3.64 -1.90 -0.32 116.57 122.20 1r61 h LYS 89 Ca -0.44 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1r61 h LYS 89 Cb 1.27 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1r61 h LYS 89 CO 0.55 -0.05 0.00 -0.44 -2.27 0.00 0.00 179.45 177.24 1r61 h ASP 90 N -0.08 0.00 1.61 4.20 3.45 -1.96 0.19 116.42 123.83 1r61 h ASP 90 Ca 0.30 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.71 1r61 h ASP 90 Cb 0.56 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 1r61 h ASP 90 CO -0.76 0.00 -0.27 0.44 -1.57 0.00 0.00 179.24 177.08 1r61 h ASP 91 N 0.00 0.00 0.00 6.45 3.32 -1.44 -3.37 116.42 121.39 1r61 h ASP 91 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r61 h ASP 91 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1r61 h ASP 91 CO 0.00 0.27 0.00 2.30 -1.72 0.00 0.00 179.24 180.09 1r61 n ILE 92 N -3.19 0.00 0.19 0.35 -5.35 -0.07 -4.80 119.36 106.49 1r61 n ILE 92 Ca 0.03 -0.42 0.05 0.00 -0.27 0.00 0.00 62.75 62.13 1r61 n ILE 92 Cb 0.61 1.10 0.37 0.00 -1.74 0.00 0.00 39.64 39.97 1r61 n ILE 92 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1r61 h ALA 93 N 0.00 1.11 0.00 -1.28 0.00 -1.37 -1.99 119.26 115.73 1r61 h ALA 93 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1r61 h ALA 93 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r61 h ALA 93 CO 0.00 0.47 0.00 -2.39 0.00 0.00 0.00 179.25 177.33 1r61 n HIS 94 N -3.70 0.43 -1.83 0.00 1.44 -1.26 -4.93 115.22 105.37 1r61 n HIS 94 Ca -0.01 0.13 -0.31 0.00 -2.01 0.00 0.00 57.72 55.53 1r61 n HIS 94 Cb 0.47 -0.71 0.03 0.00 0.12 0.00 0.00 29.99 29.90 1r61 n HIS 94 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1r61 s LEU 95 N -3.72 3.04 -1.23 2.39 1.43 -0.75 -4.95 118.68 114.89 1r61 s LEU 95 Ca 0.11 1.31 -0.18 0.00 -1.03 0.00 0.00 54.13 54.35 1r61 s LEU 95 Cb 0.15 -4.21 0.09 0.00 0.03 0.00 0.00 46.19 42.25 1r61 s LEU 95 CO 0.53 -1.18 1.61 -0.62 0.23 0.00 0.00 176.35 176.91 1r61 s ASP 96 N -4.20 6.85 -0.07 2.29 2.15 -1.26 -4.94 116.67 117.49 1r61 s ASP 96 Ca 0.57 -2.45 0.04 0.00 0.43 0.00 0.00 52.55 51.14 1r61 s ASP 96 Cb -0.11 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1r61 s ASP 96 CO 0.53 -1.10 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.60 1r61 s ILE 97 N 3.61 1.71 0.06 4.11 1.01 -1.26 -5.08 121.20 125.36 1r61 s ILE 97 Ca 0.50 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 1r61 s ILE 97 Cb 0.02 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1r61 s ILE 97 CO 0.03 0.48 0.03 -1.10 0.00 0.00 0.00 174.94 174.39 1r61 s GLN 98 N 0.18 0.66 -0.13 2.79 -1.52 -1.26 -5.09 119.66 115.29 1r61 s GLN 98 Ca -0.10 -1.10 -0.38 0.00 -1.95 0.00 0.00 55.36 51.83 1r61 s GLN 98 Cb -0.15 0.24 -0.18 0.00 -0.22 0.00 0.00 33.01 32.70 1r61 s GLN 98 CO 0.05 -0.15 1.11 -1.91 -0.25 0.00 0.00 175.29 174.13 1r61 n GLU 99 N 0.16 0.00 0.00 2.91 2.13 -1.15 -1.17 120.64 123.52 1r61 n GLU 99 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1r61 n GLU 99 Cb 0.61 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.96 1r61 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r61 n GLY 100 N 1.99 1.42 3.79 8.31 0.00 -0.68 -4.91 105.19 115.12 1r61 n GLY 100 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1r61 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r61 s ASP 101 N -2.64 6.57 -0.36 1.61 1.11 -0.32 -4.01 116.67 118.63 1r61 s ASP 101 Ca 0.00 1.95 -0.12 0.00 0.18 0.00 0.00 52.55 54.55 1r61 s ASP 101 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1r61 s ASP 101 CO 0.00 -0.62 0.23 0.12 1.18 0.00 0.00 175.17 176.08 1r61 s PHE 102 N -1.87 3.23 -0.11 4.23 5.36 -1.26 -0.68 117.98 126.87 1r61 s PHE 102 Ca 0.63 -0.55 -0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1r61 s PHE 102 Cb -0.18 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 39.99 1r61 s PHE 102 CO 0.22 -0.51 -0.01 0.14 -1.46 0.00 0.00 175.22 173.61 1r61 s VAL 103 N 1.65 4.20 -0.05 3.12 -7.23 -0.49 -0.70 120.40 120.90 1r61 s VAL 103 Ca 0.05 -0.28 0.07 0.00 -1.81 0.00 0.00 61.98 60.00 1r61 s VAL 103 Cb -0.18 -2.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 1r61 s VAL 103 CO 0.09 0.57 -0.25 -0.76 -0.31 0.00 0.00 175.10 174.44 1r61 s LEU 104 N -0.51 2.05 -0.29 1.32 1.43 0.76 -0.44 118.68 123.01 1r61 s LEU 104 Ca 0.09 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1r61 s LEU 104 Cb -0.12 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.82 1r61 s LEU 104 CO 0.02 0.26 -0.02 -0.36 0.23 0.00 0.00 176.35 176.48 1r61 s PHE 105 N -0.28 3.27 -0.13 0.29 0.08 -0.34 -0.74 117.98 120.14 1r61 s PHE 105 Ca 0.00 -2.00 -0.28 0.00 0.12 0.00 0.00 56.93 54.77 1r61 s PHE 105 Cb -0.13 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1r61 s PHE 105 CO 0.02 -0.83 0.93 0.21 -0.10 0.00 0.00 175.22 175.46 1r61 s LYS 106 N 1.21 4.37 0.19 0.44 2.20 -0.83 -3.92 119.74 123.39 1r61 s LYS 106 Ca -0.06 1.23 0.01 0.00 -0.36 0.00 0.00 55.97 56.79 1r61 s LYS 106 Cb -0.20 -3.55 -0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1r61 s LYS 106 CO -0.02 -0.31 0.03 0.25 -0.36 0.00 0.00 175.35 174.93 1r61 n THR 107 N 4.61 0.00 0.01 3.43 -2.24 -1.26 -0.63 114.28 118.20 1r61 n THR 107 Ca 0.07 -0.98 0.23 0.00 -2.27 0.00 0.00 64.05 61.09 1r61 n THR 107 Cb 0.49 0.28 0.70 0.00 -2.10 0.00 0.00 70.33 69.70 1r61 n THR 107 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1r61 h LYS 108 N 0.00 0.00 -0.95 -0.78 1.57 -1.79 -2.49 116.57 112.14 1r61 h LYS 108 Ca -0.15 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1r61 h LYS 108 Cb 0.51 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 1r61 h LYS 108 CO 0.25 0.00 0.62 -0.91 -0.57 0.00 0.00 179.45 178.84 1r61 h ASN 109 N 0.00 1.05 0.26 0.86 2.35 -1.93 -0.07 115.58 118.10 1r61 h ASN 109 Ca 0.27 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1r61 h ASN 109 Cb 1.45 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1r61 h ASN 109 CO -0.00 0.73 0.00 0.28 -1.65 0.00 0.00 177.43 176.79 1r61 h SER 110 N 1.22 0.00 -0.13 5.81 0.02 -1.64 -1.43 113.55 117.40 1r61 h SER 110 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1r61 h SER 110 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1r61 h SER 110 CO -0.10 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.08 1r61 n PHE 111 N -2.41 0.14 -4.31 3.45 3.72 -0.05 -4.37 117.46 113.64 1r61 n PHE 111 Ca -0.01 -0.07 -0.33 0.00 -0.05 0.00 0.00 57.45 56.99 1r61 n PHE 111 Cb 0.11 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.56 1r61 n PHE 111 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1r61 s GLU 112 N -1.86 2.84 -0.04 -1.08 2.02 -0.54 -5.02 118.70 115.03 1r61 s GLU 112 Ca 0.31 -0.56 0.19 0.00 0.02 0.00 0.00 54.97 54.94 1r61 s GLU 112 Cb 0.21 -2.70 -0.30 0.00 0.10 0.00 0.00 34.13 31.44 1r61 s GLU 112 CO 0.31 0.64 0.40 -0.25 0.02 0.00 0.00 175.26 176.38 1r61 n ASP 113 N 1.58 0.56 -4.97 -0.19 8.00 -1.26 -4.98 116.55 115.28 1r61 n ASP 113 Ca -0.15 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.15 1r61 n ASP 113 Cb 0.53 1.82 -0.01 0.00 -0.02 0.00 0.00 41.12 43.44 1r61 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r61 s ALA 114 N -3.28 4.20 0.29 2.24 0.00 -1.26 -4.74 121.76 119.21 1r61 s ALA 114 Ca -0.07 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 1r61 s ALA 114 Cb 0.12 -1.62 -0.10 0.00 0.00 0.00 0.00 23.12 21.53 1r61 s ALA 114 CO 0.80 -0.03 1.22 0.12 0.00 0.00 0.00 175.76 177.88 1r61 s PHE 115 N -2.19 3.29 -0.01 0.00 5.36 -1.26 -5.03 117.98 118.13 1r61 s PHE 115 Ca 0.45 1.50 0.06 0.00 -0.96 0.00 0.00 56.93 57.98 1r61 s PHE 115 Cb -0.09 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 39.06 1r61 s PHE 115 CO 0.31 -1.34 -0.20 -1.01 -1.46 0.00 0.00 175.22 171.51 1r61 s HIS 116 N -0.97 1.82 0.20 10.12 3.76 -1.26 -5.01 115.29 123.95 1r61 s HIS 116 Ca 0.48 -0.35 0.07 0.00 -0.15 0.00 0.00 55.06 55.11 1r61 s HIS 116 Cb -0.36 -1.17 0.09 0.00 1.11 0.00 0.00 32.58 32.25 1r61 s HIS 116 CO 0.46 -0.02 1.45 0.74 -0.85 0.00 0.00 174.74 176.52 1r61 h PHE 117 N 5.58 0.11 -1.41 1.40 0.04 -2.01 -3.24 116.94 117.41 1r61 h PHE 117 Ca -0.39 -0.06 -0.61 0.00 2.80 0.00 0.00 57.97 59.71 1r61 h PHE 117 Cb 1.14 -0.01 -0.21 0.00 2.20 0.00 0.00 35.95 39.07 1r61 h PHE 117 CO 0.40 0.84 0.71 0.39 -0.60 0.00 0.00 178.31 180.05 1r61 n GLU 118 N -3.64 2.67 -1.92 1.51 1.02 -1.26 -5.00 120.64 114.02 1r61 n GLU 118 Ca -0.02 -2.84 -0.35 0.00 -0.02 0.00 0.00 57.16 53.94 1r61 n GLU 118 Cb 0.76 -2.21 0.04 0.00 -0.02 0.00 0.00 31.44 30.01 1r61 n GLU 118 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1r61 s PHE 119 N -2.56 2.43 0.06 -0.32 -0.12 -1.23 -4.87 117.98 111.37 1r61 s PHE 119 Ca 0.56 1.54 -0.31 0.00 -0.05 0.00 0.00 56.93 58.68 1r61 s PHE 119 Cb 0.39 -3.39 -0.08 0.00 -0.63 0.00 0.00 43.02 39.31 1r61 s PHE 119 CO -0.28 -2.06 1.66 0.42 -0.05 0.00 0.00 175.22 174.90 1r61 s ILE 120 N -1.83 3.07 0.43 -4.49 -1.09 -1.26 -4.79 121.20 111.24 1r61 s ILE 120 Ca 0.74 0.49 0.04 0.00 -2.23 0.00 0.00 60.65 59.69 1r61 s ILE 120 Cb -0.27 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1r61 s ILE 120 CO 0.35 -0.00 0.04 0.72 -1.23 0.00 0.00 174.94 174.82 1r61 s PHE 121 N 2.73 2.04 -0.44 3.97 -0.12 -1.22 -4.75 117.98 120.19 1r61 s PHE 121 Ca 0.74 -0.95 -0.20 0.00 -0.05 0.00 0.00 56.93 56.47 1r61 s PHE 121 Cb -0.39 -1.51 0.03 0.00 -0.63 0.00 0.00 43.02 40.51 1r61 s PHE 121 CO 0.32 0.14 0.61 0.08 -0.05 0.00 0.00 175.22 176.33 1r61 s VAL 122 N -2.97 4.86 0.83 -2.49 1.01 -0.86 0.49 120.40 121.27 1r61 s VAL 122 Ca 0.22 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 1r61 s VAL 122 Cb 0.05 -4.19 0.09 0.00 0.00 0.00 0.00 36.38 32.33 1r61 s VAL 122 CO 0.11 -0.59 1.11 0.00 0.00 0.00 0.00 175.10 175.73 1r61 s ALA 123 N 2.72 1.95 0.16 5.51 0.00 -0.36 -4.75 121.76 127.00 1r61 s ALA 123 Ca 0.21 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1r61 s ALA 123 Cb -0.15 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.73 1r61 s ALA 123 CO 0.18 -2.11 1.77 1.49 0.00 0.00 0.00 175.76 177.09 1r61 h GLU 124 N -1.38 0.35 -0.92 0.00 4.81 -1.96 0.17 114.58 115.65 1r61 h GLU 124 Ca -0.44 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1r61 h GLU 124 Cb 1.25 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1r61 h GLU 124 CO 0.49 0.23 0.60 0.38 -0.73 0.00 0.00 179.01 179.98 1r61 h ASP 125 N 0.36 0.98 -0.27 1.04 2.03 -1.92 0.47 116.42 119.11 1r61 h ASP 125 Ca 0.17 -0.01 -0.17 0.00 -0.73 0.00 0.00 57.03 56.29 1r61 h ASP 125 Cb 0.10 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.38 1r61 h ASP 125 CO -0.14 0.67 -0.47 0.00 -1.03 0.00 0.00 179.24 178.27 1r61 h ALA 126 N 1.47 0.57 -0.35 4.15 0.00 -1.57 -0.89 119.26 122.64 1r61 h ALA 126 Ca 0.37 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1r61 h ALA 126 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1r61 h ALA 126 CO -0.12 0.68 0.17 0.00 0.00 0.00 0.00 179.25 179.98 1r61 h ALA 127 N 0.79 0.45 -0.37 0.00 0.00 0.15 -0.22 119.26 120.05 1r61 h ALA 127 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1r61 h ALA 127 Cb 1.05 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1r61 h ALA 127 CO 0.11 0.01 0.01 0.00 0.00 0.00 0.00 179.25 179.37 1r61 h ARG 128 N 0.42 0.10 -0.65 0.00 3.08 -0.67 0.16 114.38 116.84 1r61 h ARG 128 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1r61 h ARG 128 Cb 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1r61 h ARG 128 CO -0.02 0.07 0.41 -0.92 -1.07 0.00 0.00 179.97 178.44 1r61 h TYR 129 N 0.11 0.83 -0.56 3.04 3.20 -0.91 0.10 116.97 122.78 1r61 h TYR 129 Ca 0.18 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1r61 h TYR 129 Cb 0.25 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1r61 h TYR 129 CO -0.25 0.55 0.06 -0.07 -1.64 0.00 0.00 178.16 176.81 1r61 h LEU 130 N 0.88 0.88 -0.12 2.82 3.38 -0.08 -1.14 115.31 121.93 1r61 h LEU 130 Ca 0.23 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1r61 h LEU 130 Cb -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1r61 h LEU 130 CO -0.05 0.91 -0.27 0.00 0.09 0.00 0.00 178.44 179.12 1r61 h ALA 131 N 1.20 0.19 -0.10 1.53 0.00 -0.03 -1.13 119.26 120.91 1r61 h ALA 131 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1r61 h ALA 131 Cb 0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1r61 h ALA 131 CO 0.01 0.19 0.06 -0.44 0.00 0.00 0.00 179.25 179.07 1r61 h ASP 132 N -0.04 0.12 1.77 0.00 3.32 -0.76 0.12 116.42 120.95 1r61 h ASP 132 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1r61 h ASP 132 Cb 0.87 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1r61 h ASP 132 CO 0.06 0.09 -0.06 0.50 -1.72 0.00 0.00 179.24 178.11 1r61 h LYS 133 N 0.14 0.00 -3.64 3.56 1.63 -0.79 -3.48 116.57 114.00 1r61 h LYS 133 Ca 0.04 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.63 1r61 h LYS 133 Cb -0.01 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 31.70 1r61 h LYS 133 CO -0.01 0.06 -0.37 1.04 -3.45 0.00 0.00 179.45 176.72 1r61 n GLN 134 N -3.12 -4.12 -0.64 1.90 6.02 0.43 -2.94 117.38 114.91 1r61 n GLN 134 Ca 0.03 0.44 -0.30 0.00 -0.01 0.00 0.00 57.00 57.17 1r61 n GLN 134 Cb 0.51 -4.30 0.21 0.00 1.02 0.00 0.00 30.24 27.68 1r61 n GLN 134 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1r61 s ILE 135 N -3.17 2.08 -0.21 5.09 -4.36 -1.18 -1.69 121.20 117.76 1r61 s ILE 135 Ca 0.26 0.02 0.22 0.00 -0.26 0.00 0.00 60.65 60.90 1r61 s ILE 135 Cb -0.11 -2.08 -0.12 0.00 1.25 0.00 0.00 42.46 41.40 1r61 s ILE 135 CO 0.39 -0.03 0.86 -2.11 0.24 0.00 0.00 174.94 174.28 1r61 n ARG 136 N -4.56 0.59 -3.55 0.37 1.85 0.14 -4.60 116.66 106.90 1r61 n ARG 136 Ca 0.07 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.76 1r61 n ARG 136 Cb 0.53 -1.70 -0.06 0.00 -1.05 0.00 0.00 32.46 30.18 1r61 n ARG 136 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1r61 s GLY 137 N -4.34 -0.56 0.00 2.89 0.00 -1.10 -1.91 107.32 102.30 1r61 s GLY 137 Ca -0.03 1.46 0.01 0.00 0.00 0.00 0.00 44.72 46.17 1r61 s GLY 137 CO 0.83 1.12 -0.04 0.54 0.00 0.00 0.00 173.10 175.56 1r61 s VAL 138 N -0.83 0.26 0.00 1.40 0.11 0.67 -1.39 120.40 120.63 1r61 s VAL 138 Ca -0.08 -0.27 0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1r61 s VAL 138 Cb -0.01 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1r61 s VAL 138 CO 0.08 -0.01 -0.17 -0.83 -3.33 0.00 0.00 175.10 170.84 1r61 s GLY 139 N -0.30 0.85 0.21 6.54 0.00 0.42 -0.49 107.32 114.53 1r61 s GLY 139 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 43.97 1r61 s GLY 139 CO -0.00 -0.67 -0.01 -1.50 0.00 0.00 0.00 173.10 170.91 1r61 s ILE 140 N -0.51 0.97 -0.21 0.90 1.10 -0.06 -1.20 121.20 122.19 1r61 s ILE 140 Ca 0.06 -2.03 0.15 0.00 -0.51 0.00 0.00 60.65 58.32 1r61 s ILE 140 Cb -0.07 -2.24 0.56 0.00 0.15 0.00 0.00 42.46 40.86 1r61 s ILE 140 CO -0.00 -0.40 1.48 -0.90 -2.11 0.00 0.00 174.94 173.01 1r61 n ASP 141 N -0.35 3.84 -4.70 4.50 5.75 -1.25 -1.96 116.55 122.38 1r61 n ASP 141 Ca -0.06 -3.15 -0.24 0.00 -0.01 0.00 0.00 54.79 51.33 1r61 n ASP 141 Cb 0.63 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 1r61 n ASP 141 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r61 s ALA 142 N -2.91 3.29 0.56 2.12 0.00 -1.26 -4.36 121.76 119.19 1r61 s ALA 142 Ca 0.44 -1.48 0.24 0.00 0.00 0.00 0.00 51.96 51.16 1r61 s ALA 142 Cb 0.36 -1.00 1.55 0.00 0.00 0.00 0.00 23.12 24.04 1r61 s ALA 142 CO 0.08 0.35 2.18 -0.07 0.00 0.00 0.00 175.76 178.30 1r61 h LEU 143 N 2.11 0.00 -8.57 0.00 3.38 -1.90 0.22 115.31 110.55 1r61 h LEU 143 Ca -0.46 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.11 1r61 h LEU 143 Cb 1.23 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.79 1r61 h LEU 143 CO 0.60 0.00 -0.76 -0.83 0.09 0.00 0.00 178.44 177.54 1r61 s GLY 144 N -4.07 1.03 0.00 0.83 0.00 -1.26 -4.48 107.32 99.37 1r61 s GLY 144 Ca -0.05 -1.26 0.23 0.00 0.00 0.00 0.00 44.72 43.64 1r61 s GLY 144 CO 0.61 -1.32 1.19 4.51 0.00 0.00 0.00 173.10 178.09 1r61 n ILE 145 N 0.58 0.00 -3.87 0.90 3.06 -1.26 -4.91 119.36 113.86 1r61 n ILE 145 Ca -0.16 -0.15 -0.11 0.00 -2.50 0.00 0.00 62.75 59.83 1r61 n ILE 145 Cb 0.57 0.91 -0.11 0.00 0.54 0.00 0.00 39.64 41.55 1r61 n ILE 145 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1r61 s GLU 146 N -2.64 0.35 0.18 9.51 2.12 -1.26 -2.02 118.70 124.93 1r61 s GLU 146 Ca 0.17 -0.22 -0.14 0.00 0.36 0.00 0.00 54.97 55.14 1r61 s GLU 146 Cb 0.18 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.72 1r61 s GLU 146 CO 0.64 -0.07 0.42 -0.98 -0.54 0.00 0.00 175.26 174.72 1r61 s ARG 147 N -0.89 1.29 -1.46 4.30 1.70 -1.26 -5.00 118.95 117.63 1r61 s ARG 147 Ca -0.10 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.15 1r61 s ARG 147 Cb -0.06 0.46 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 1r61 s ARG 147 CO 0.01 -0.52 0.00 0.00 -1.08 0.00 0.00 175.30 173.71 1r61 n ALA 148 N -0.29 -0.25 -3.61 7.88 0.00 -1.26 -4.92 120.51 118.07 1r61 n ALA 148 Ca -0.09 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 1r61 n ALA 148 Cb 0.63 -1.58 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1r61 n ALA 148 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r61 s GLN 149 N -3.44 0.86 -0.15 0.00 -0.21 -1.26 -5.10 119.66 110.36 1r61 s GLN 149 Ca 0.00 -1.52 -0.41 0.00 0.02 0.00 0.00 55.36 53.45 1r61 s GLN 149 Cb 0.00 -1.83 -0.19 0.00 1.00 0.00 0.00 33.01 31.99 1r61 s GLN 149 CO 0.00 -1.14 1.36 -1.91 -2.12 0.00 0.00 175.29 171.47 1r61 n GLU 150 N 4.03 0.38 -0.06 2.91 4.07 -1.26 -1.58 120.64 129.13 1r61 n GLU 150 Ca 0.07 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 1r61 n GLU 150 Cb 0.37 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 1r61 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1r61 n GLY 151 N 2.74 0.66 3.57 8.31 0.00 -1.26 -4.38 105.19 114.82 1r61 n GLY 151 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1r61 n GLY 151 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r61 n HIS 152 N -2.00 -2.08 -0.18 1.61 8.25 -0.62 -4.94 115.22 115.26 1r61 n HIS 152 Ca 0.00 0.90 -0.07 0.00 -0.26 0.00 0.00 57.72 58.28 1r61 n HIS 152 Cb 0.00 -4.74 0.02 0.00 1.12 0.00 0.00 29.99 26.39 1r61 n HIS 152 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1r61 h PRO 153 N -1.91 0.72 -0.63 -0.41 0.13 -1.76 -2.93 132.00 125.19 1r61 h PRO 153 Ca -0.60 -0.07 0.13 0.00 -0.87 0.00 0.00 66.00 64.59 1r61 h PRO 153 Cb 1.35 -0.15 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 1r61 h PRO 153 CO 0.54 0.54 -0.09 1.15 -0.23 0.00 0.00 178.00 179.91 1r61 h THR 154 N 0.70 0.41 -0.82 1.56 2.02 -1.91 0.21 112.91 115.08 1r61 h THR 154 Ca 0.19 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1r61 h THR 154 Cb 0.02 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1r61 h THR 154 CO -0.03 0.01 0.54 0.45 0.37 0.00 0.00 175.52 176.85 1r61 h HIS 155 N 0.04 0.96 0.14 3.16 3.86 -1.90 -2.51 115.15 118.90 1r61 h HIS 155 Ca 0.32 0.02 -0.32 0.00 -1.16 0.00 0.00 60.37 59.23 1r61 h HIS 155 Cb 0.51 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 1r61 h HIS 155 CO -0.45 0.55 -1.67 0.87 0.86 0.00 0.00 177.93 178.09 1r61 h LYS 156 N 0.99 0.29 -0.85 2.45 1.57 -1.15 0.64 116.57 120.51 1r61 h LYS 156 Ca 0.33 -0.49 0.21 0.00 -1.87 0.00 0.00 60.65 58.83 1r61 h LYS 156 Cb 0.07 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 32.43 1r61 h LYS 156 CO -0.10 1.23 0.21 1.15 -0.57 0.00 0.00 179.45 181.37 1r61 h THR 157 N -0.11 0.36 0.11 -0.16 2.02 -0.68 0.25 112.91 114.70 1r61 h THR 157 Ca -0.35 -0.08 -0.28 0.00 0.77 0.00 0.00 66.41 66.48 1r61 h THR 157 Cb 1.92 0.12 0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1r61 h THR 157 CO 0.09 0.04 -1.20 -0.07 0.37 0.00 0.00 175.52 174.75 1r61 h LEU 158 N 0.22 0.60 -0.34 2.58 3.38 -1.34 -3.04 115.31 117.37 1r61 h LEU 158 Ca 0.52 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1r61 h LEU 158 Cb 1.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1r61 h LEU 158 CO -0.63 1.42 -0.07 -0.26 0.09 0.00 0.00 178.44 178.99 1r61 h PHE 159 N 0.16 0.72 -0.63 1.13 0.04 -0.45 -0.89 116.94 117.03 1r61 h PHE 159 Ca -0.15 -0.15 0.08 0.00 2.80 0.00 0.00 57.97 60.55 1r61 h PHE 159 Cb 1.89 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 39.82 1r61 h PHE 159 CO 0.08 0.81 0.42 0.77 -0.60 0.00 0.00 178.31 179.78 1r61 h SER 160 N 0.43 0.50 -0.47 2.17 0.02 -0.57 -0.58 113.55 115.05 1r61 h SER 160 Ca 0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1r61 h SER 160 Cb 0.56 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1r61 h SER 160 CO 0.03 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 1r61 n ALA 161 N -2.48 2.96 -1.67 3.77 0.00 -1.07 -4.93 120.51 117.10 1r61 n ALA 161 Ca 0.09 -1.15 -0.14 0.00 0.00 0.00 0.00 53.44 52.24 1r61 n ALA 161 Cb 0.28 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 1r61 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r61 n GLY 162 N 0.90 0.96 3.75 0.00 0.00 -0.22 -4.97 105.19 105.61 1r61 n GLY 162 Ca 0.19 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1r61 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r61 s VAL 163 N -2.58 4.68 0.31 1.61 1.01 -0.36 -4.88 120.40 120.19 1r61 s VAL 163 Ca 0.00 1.66 -0.21 0.00 0.00 0.00 0.00 61.98 63.42 1r61 s VAL 163 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1r61 s VAL 163 CO 0.00 0.38 0.84 -0.63 0.00 0.00 0.00 175.10 175.69 1r61 s ILE 164 N -0.17 4.44 -0.14 2.22 1.01 -0.80 -4.50 121.20 123.26 1r61 s ILE 164 Ca 0.39 1.45 -0.00 0.00 0.00 0.00 0.00 60.65 62.48 1r61 s ILE 164 Cb -0.21 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1r61 s ILE 164 CO 0.24 0.03 -0.13 -0.63 0.00 0.00 0.00 174.94 174.45 1r61 s ILE 165 N -1.74 2.99 -0.12 2.92 1.01 -1.26 -0.24 121.20 124.77 1r61 s ILE 165 Ca 0.50 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1r61 s ILE 165 Cb -0.15 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1r61 s ILE 165 CO 0.20 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.90 1r61 s ILE 166 N 0.52 3.12 0.32 2.92 1.01 0.35 -1.49 121.20 127.96 1r61 s ILE 166 Ca -0.09 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.01 1r61 s ILE 166 Cb -0.16 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 1r61 s ILE 166 CO 0.04 0.53 -0.07 -1.61 0.00 0.00 0.00 174.94 173.84 1r61 s GLU 167 N 0.16 1.94 -0.60 2.79 2.02 -0.24 -0.88 118.70 123.89 1r61 s GLU 167 Ca -0.07 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.15 1r61 s GLU 167 Cb -0.15 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.23 1r61 s GLU 167 CO 0.05 0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1r61 n GLY 168 N -0.83 0.69 3.81 -1.39 0.00 0.76 -1.38 105.19 106.86 1r61 n GLY 168 Ca -0.05 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1r61 n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r61 s LEU 169 N -1.40 3.22 -0.29 0.99 1.43 -0.83 -3.70 118.68 118.10 1r61 s LEU 169 Ca 0.00 1.69 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1r61 s LEU 169 Cb 0.00 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.80 1r61 s LEU 169 CO 0.00 -1.42 0.05 -0.13 0.23 0.00 0.00 176.35 175.08 1r61 s ARG 170 N -4.77 1.09 0.00 1.70 1.81 -0.09 -4.39 118.95 114.31 1r61 s ARG 170 Ca 0.60 -1.20 0.05 0.00 -1.72 0.00 0.00 55.73 53.46 1r61 s ARG 170 Cb -0.15 -2.42 0.07 0.00 -0.45 0.00 0.00 34.95 32.00 1r61 s ARG 170 CO 0.50 -0.87 0.81 1.28 -0.68 0.00 0.00 175.30 176.35 1r61 n LEU 171 N 4.68 1.76 -0.00 2.53 4.77 -1.26 -4.48 117.00 124.99 1r61 n LEU 171 Ca -0.03 -1.31 0.22 0.00 -0.03 0.00 0.00 56.01 54.85 1r61 n LEU 171 Cb 0.43 -0.03 0.72 0.00 -2.33 0.00 0.00 43.42 42.21 1r61 n LEU 171 CO 0.15 0.40 1.20 0.07 -1.33 0.00 0.00 177.39 177.89 1r61 h LYS 172 N 1.02 0.00 -0.63 3.23 2.10 -1.94 -1.27 116.57 119.07 1r61 h LYS 172 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1r61 h LYS 172 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1r61 h LYS 172 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1r61 n ASP 173 N -4.09 3.79 -4.24 7.07 8.00 -1.26 -4.91 116.55 120.90 1r61 n ASP 173 Ca 0.11 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.27 1r61 n ASP 173 Cb 0.69 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 41.23 1r61 n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r61 s VAL 174 N -1.13 3.01 0.32 2.53 1.01 -0.48 -5.08 120.40 120.59 1r61 s VAL 174 Ca 0.45 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1r61 s VAL 174 Cb 0.24 -2.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.08 1r61 s VAL 174 CO 0.32 0.34 1.50 -2.84 0.00 0.00 0.00 175.10 174.42 1r61 s PRO 175 N 1.39 4.16 0.21 2.72 0.02 -1.26 -4.94 135.00 137.30 1r61 s PRO 175 Ca 0.03 2.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.26 1r61 s PRO 175 Cb -0.15 -3.02 -0.16 0.00 0.02 0.00 0.00 34.50 31.19 1r61 s PRO 175 CO -0.05 -0.51 0.72 -1.91 -0.33 0.00 0.00 177.00 174.91 1r61 n GLU 176 N 1.38 0.40 -0.82 5.54 2.13 -1.26 -4.87 120.64 123.15 1r61 n GLU 176 Ca 0.04 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1r61 n GLU 176 Cb 0.39 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1r61 n GLU 176 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r61 n GLY 177 N 1.78 0.49 3.83 8.31 0.00 -0.64 -5.01 105.19 113.95 1r61 n GLY 177 Ca 0.16 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 1r61 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r61 s ARG 178 N -2.00 3.96 0.12 1.61 0.52 -1.26 -1.35 118.95 120.55 1r61 s ARG 178 Ca 0.00 0.43 0.02 0.00 -0.52 0.00 0.00 55.73 55.66 1r61 s ARG 178 Cb 0.00 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1r61 s ARG 178 CO 0.00 0.66 -0.06 0.71 0.02 0.00 0.00 175.30 176.63 1r61 s TYR 179 N -0.97 1.02 -0.23 -0.53 2.02 -1.00 -4.82 117.35 112.84 1r61 s TYR 179 Ca 0.24 -0.91 -0.17 0.00 -0.37 0.00 0.00 57.07 55.86 1r61 s TYR 179 Cb -0.17 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1r61 s TYR 179 CO 0.13 -0.12 0.46 0.12 -1.57 0.00 0.00 175.55 174.57 1r61 s PHE 180 N -3.58 3.32 -0.14 2.71 5.36 0.22 -0.21 117.98 125.66 1r61 s PHE 180 Ca 0.15 0.63 -0.09 0.00 -0.96 0.00 0.00 56.93 56.66 1r61 s PHE 180 Cb 0.05 -2.63 -0.04 0.00 -0.34 0.00 0.00 43.02 40.06 1r61 s PHE 180 CO -0.02 -0.15 0.17 1.41 -1.46 0.00 0.00 175.22 175.17 1r61 s MET 181 N 1.81 3.77 -0.31 10.12 -2.45 0.54 -0.26 119.30 132.52 1r61 s MET 181 Ca 0.20 -0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 1r61 s MET 181 Cb -0.15 -3.28 0.07 0.00 1.25 0.00 0.00 34.83 32.72 1r61 s MET 181 CO 0.09 0.58 -0.01 0.08 1.05 0.00 0.00 175.02 176.81 1r61 s VAL 182 N -0.49 2.58 -0.41 10.11 1.01 0.06 -1.78 120.40 131.48 1r61 s VAL 182 Ca 0.14 -1.74 -0.09 0.00 0.00 0.00 0.00 61.98 60.29 1r61 s VAL 182 Cb -0.12 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.73 1r61 s VAL 182 CO 0.03 -0.24 0.25 0.00 0.00 0.00 0.00 175.10 175.13 1r61 s ALA 183 N 1.12 3.27 -0.46 5.51 0.00 -0.30 -0.94 121.76 129.95 1r61 s ALA 183 Ca -0.02 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1r61 s ALA 183 Cb -0.20 -2.61 0.12 0.00 0.00 0.00 0.00 23.12 20.43 1r61 s ALA 183 CO -0.04 -1.65 0.23 0.00 0.00 0.00 0.00 175.76 174.30 1r61 s ALA 184 N 1.40 3.21 0.42 0.00 0.00 -0.44 -4.81 121.76 121.54 1r61 s ALA 184 Ca 0.03 -2.84 -0.09 0.00 0.00 0.00 0.00 51.96 49.06 1r61 s ALA 184 Cb -0.23 -2.30 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1r61 s ALA 184 CO 0.02 -1.88 0.76 -1.25 0.00 0.00 0.00 175.76 173.40 1r61 s PRO 185 N 0.53 3.70 0.21 0.00 0.04 -1.26 -1.79 135.00 136.43 1r61 s PRO 185 Ca 0.13 0.36 -0.32 0.00 0.04 0.00 0.00 61.00 61.21 1r61 s PRO 185 Cb -0.22 -2.41 -0.14 0.00 0.04 0.00 0.00 34.50 31.77 1r61 s PRO 185 CO -0.04 -0.06 1.35 1.28 0.04 0.00 0.00 177.00 179.57 1r61 n LEU 186 N -1.53 2.62 -3.37 -3.56 4.77 -0.78 -4.83 117.00 110.32 1r61 n LEU 186 Ca 0.02 1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.79 1r61 n LEU 186 Cb 0.54 -1.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1r61 n LEU 186 CO 0.49 -0.71 2.77 1.17 -1.33 0.00 0.00 177.39 179.78 1r61 n LYS 187 N 2.10 2.73 -2.74 3.23 4.81 -1.26 -4.85 118.16 122.17 1r61 n LYS 187 Ca 0.13 -1.97 -0.41 0.00 -0.87 0.00 0.00 58.31 55.20 1r61 n LYS 187 Cb 0.29 -2.78 -0.05 0.00 0.02 0.00 0.00 35.03 32.51 1r61 n LYS 187 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1r61 s LEU 188 N 0.61 4.52 -0.06 3.14 1.43 -1.26 -5.04 118.68 122.02 1r61 s LEU 188 Ca 0.54 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 1r61 s LEU 188 Cb 0.14 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1r61 s LEU 188 CO -0.03 -0.02 0.39 -0.69 0.23 0.00 0.00 176.35 176.22 1r61 s VAL 189 N -0.21 5.13 -1.28 -1.59 1.01 -1.26 -3.48 120.40 118.73 1r61 s VAL 189 Ca 0.46 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 1r61 s VAL 189 Cb -0.24 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1r61 s VAL 189 CO 0.30 0.50 0.20 0.61 0.00 0.00 0.00 175.10 176.71 1r61 n GLY 190 N 2.40 -0.26 3.60 4.51 0.00 -1.26 -4.96 105.19 109.23 1r61 n GLY 190 Ca -0.12 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1r61 n GLY 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r61 s THR 191 N -2.89 2.14 -2.10 2.61 -4.23 -1.26 -4.80 115.64 105.10 1r61 s THR 191 Ca 0.10 -2.05 0.17 0.00 -1.18 0.00 0.00 61.69 58.73 1r61 s THR 191 Cb -0.04 -2.87 0.42 0.00 1.34 0.00 0.00 72.50 71.35 1r61 s THR 191 CO 0.12 -0.08 1.53 -0.90 -0.54 0.00 0.00 174.62 174.76 1r61 n ASP 192 N -0.93 0.76 0.00 3.99 5.68 -1.26 0.29 116.55 125.09 1r61 n ASP 192 Ca -0.05 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1r61 n ASP 192 Cb 0.65 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1r61 n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r61 n ALA 193 N -0.24 0.00 -3.39 2.12 0.00 -1.26 -2.14 120.51 115.59 1r61 n ALA 193 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 1r61 n ALA 193 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 1r61 n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r61 s ALA 194 N -1.98 -1.29 0.35 0.00 0.00 -0.84 -4.88 121.76 113.11 1r61 s ALA 194 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 1r61 s ALA 194 Cb 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.82 1r61 s ALA 194 CO 0.00 -0.30 1.50 -1.25 0.00 0.00 0.00 175.76 175.71 1r61 s PRO 195 N -0.87 4.13 0.01 0.00 0.04 -1.24 -1.36 135.00 135.72 1r61 s PRO 195 Ca -0.09 2.55 0.05 0.00 0.04 0.00 0.00 61.00 63.54 1r61 s PRO 195 Cb -0.03 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 1r61 s PRO 195 CO 0.06 -0.54 -0.14 0.00 0.04 0.00 0.00 177.00 176.42 1r61 s ALA 196 N -0.79 1.19 -0.41 8.56 0.00 -0.62 -1.87 121.76 127.81 1r61 s ALA 196 Ca 0.56 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.65 1r61 s ALA 196 Cb -0.46 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1r61 s ALA 196 CO 0.58 0.26 0.32 0.50 0.00 0.00 0.00 175.76 177.43 1r61 s ARG 197 N -0.69 3.02 -0.15 0.00 6.06 -0.74 -4.58 118.95 121.86 1r61 s ARG 197 Ca 0.04 -0.95 -0.04 0.00 -2.50 0.00 0.00 55.73 52.28 1r61 s ARG 197 Cb -0.06 -3.97 -0.03 0.00 0.06 0.00 0.00 34.95 30.95 1r61 s ARG 197 CO 0.00 -0.76 -0.01 0.08 -2.50 0.00 0.00 175.30 172.11 1r61 s VAL 198 N 1.77 4.11 0.04 7.11 1.01 -1.26 -1.33 120.40 131.85 1r61 s VAL 198 Ca 0.06 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1r61 s VAL 198 Cb -0.19 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 1r61 s VAL 198 CO 0.11 0.50 -0.14 -0.76 0.00 0.00 0.00 175.10 174.81 1r61 s LEU 199 N 0.20 2.18 -0.11 3.92 1.43 -0.12 -1.50 118.68 124.68 1r61 s LEU 199 Ca -0.01 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1r61 s LEU 199 Cb -0.13 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1r61 s LEU 199 CO 0.02 0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 175.66 1r61 s LEU 200 N -1.19 1.98 -0.09 1.79 1.43 0.06 -0.76 118.68 121.89 1r61 s LEU 200 Ca 0.01 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1r61 s LEU 200 Cb -0.08 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1r61 s LEU 200 CO 0.01 0.09 -0.06 -0.36 0.23 0.00 0.00 176.35 176.26 1r61 s PHE 201 N 0.68 2.96 -1.92 0.29 0.08 0.64 0.08 117.98 120.79 1r61 s PHE 201 Ca -0.11 -0.10 0.01 0.00 0.12 0.00 0.00 56.93 56.85 1r61 s PHE 201 Cb -0.16 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1r61 s PHE 201 CO 0.02 0.21 0.99 -0.40 -0.10 0.00 0.00 175.22 175.94 1r61 n ASP 202 N 2.64 0.25 0.00 1.36 5.68 -0.48 -0.61 116.55 125.38 1r61 n ASP 202 Ca -0.18 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1r61 n ASP 202 Cb 0.53 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1r61 n ASP 202 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73