#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 -2.21 -2.45 0.00 0.00 -1.26 -5.01 120.51 109.59 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 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.51 4.41 -0.16 0.00 0.00 -1.26 -5.03 119.30 114.75 1r61 s MET 1 Ca 0.00 1.72 -0.08 0.00 0.00 0.00 0.00 55.69 57.33 1r61 s MET 1 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 34.83 31.36 1r61 s MET 1 CO 0.00 -0.31 0.10 0.15 0.00 0.00 0.00 175.02 174.96 1r61 s LYS 2 N 1.47 3.83 -0.17 4.11 1.02 -1.26 -5.00 119.74 123.74 1r61 s LYS 2 Ca 0.57 -0.26 -0.10 0.00 0.02 0.00 0.00 55.97 56.21 1r61 s LYS 2 Cb -0.27 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1r61 s LYS 2 CO 0.27 0.44 0.15 0.08 -0.92 0.00 0.00 175.35 175.37 1r61 s VAL 3 N -0.08 5.42 -0.16 3.17 1.01 -1.26 -1.50 120.40 127.00 1r61 s VAL 3 Ca 0.08 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 1r61 s VAL 3 Cb -0.12 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1r61 s VAL 3 CO 0.01 0.49 -0.11 -0.31 0.00 0.00 0.00 175.10 175.17 1r61 s TYR 4 N -0.04 2.85 -0.19 5.22 2.02 0.16 -4.96 117.35 122.41 1r61 s TYR 4 Ca 0.11 -0.87 -0.22 0.00 -0.37 0.00 0.00 57.07 55.72 1r61 s TYR 4 Cb -0.12 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1r61 s TYR 4 CO 0.00 -0.39 0.70 0.34 -1.57 0.00 0.00 175.55 174.63 1r61 s ASP 5 N 0.81 6.78 -0.24 2.29 2.15 -1.26 -0.83 116.67 126.37 1r61 s ASP 5 Ca -0.04 0.96 0.10 0.00 0.43 0.00 0.00 52.55 53.99 1r61 s ASP 5 Cb -0.15 -2.39 0.44 0.00 -0.30 0.00 0.00 42.92 40.52 1r61 s ASP 5 CO 0.01 -0.32 1.25 1.33 -0.17 0.00 0.00 175.17 177.27 1r61 n VAL 6 N 4.71 2.34 -4.30 1.11 0.24 -0.52 -4.95 118.33 116.96 1r61 n VAL 6 Ca 0.01 -3.39 -0.30 0.00 -2.04 0.00 0.00 64.34 58.62 1r61 n VAL 6 Cb 0.49 -0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 32.31 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 -3.54 3.24 0.24 3.34 2.01 -1.26 -0.49 115.64 119.18 1r61 s THR 7 Ca 0.42 -1.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 1r61 s THR 7 Cb 0.38 -2.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 1r61 s THR 7 CO -0.04 0.15 0.59 0.00 -0.69 0.00 0.00 174.62 174.63 1r61 s ALA 8 N -1.16 3.51 0.56 7.40 0.00 -1.26 -4.84 121.76 125.97 1r61 s ALA 8 Ca 0.20 -0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 1r61 s ALA 8 Cb -0.11 -2.53 -0.06 0.00 0.00 0.00 0.00 23.12 20.43 1r61 s ALA 8 CO 0.12 0.46 1.02 -1.25 0.00 0.00 0.00 175.76 176.11 1r61 s PRO 9 N -2.73 3.65 -0.21 0.00 0.04 -1.26 -4.65 135.00 129.85 1r61 s PRO 9 Ca 0.48 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 1r61 s PRO 9 Cb -0.12 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1r61 s PRO 9 CO 0.20 -0.52 -0.04 0.42 0.04 0.00 0.00 177.00 177.10 1r61 s ILE 10 N -2.62 3.42 0.06 0.56 1.01 -1.26 -4.99 121.20 117.39 1r61 s ILE 10 Ca 0.60 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 1r61 s ILE 10 Cb -0.12 -2.55 0.06 0.00 0.01 0.00 0.00 42.46 39.86 1r61 s ILE 10 CO 0.36 0.43 0.58 -0.72 0.00 0.00 0.00 174.94 175.58 1r61 s TYR 11 N 1.38 -0.50 0.17 3.97 -0.85 -1.26 -5.09 117.35 115.17 1r61 s TYR 11 Ca 0.05 0.55 -0.32 0.00 -0.52 0.00 0.00 57.07 56.83 1r61 s TYR 11 Cb -0.14 0.42 -0.11 0.00 0.38 0.00 0.00 41.96 42.51 1r61 s TYR 11 CO -0.02 -0.70 1.73 -1.21 -1.52 0.00 0.00 175.55 173.83 1r61 s GLU 12 N -2.62 4.14 0.00 -3.49 2.02 -1.26 -1.98 118.70 115.51 1r61 s GLU 12 Ca -0.04 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.50 1r61 s GLU 12 Cb -0.01 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1r61 s GLU 12 CO -0.03 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.90 1r61 n GLY 13 N 4.03 0.55 3.79 -1.39 0.00 -1.26 -5.08 105.19 105.83 1r61 n GLY 13 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.91 2.79 0.17 1.61 0.23 -0.84 -4.99 119.30 117.36 1r61 s MET 14 Ca 0.00 1.13 -0.33 0.00 -1.03 0.00 0.00 55.69 55.45 1r61 s MET 14 Cb 0.00 -1.97 -0.13 0.00 -1.53 0.00 0.00 34.83 31.20 1r61 s MET 14 CO 0.00 -1.23 1.63 -2.30 -2.03 0.00 0.00 175.02 171.09 1r61 n PRO 15 N -2.93 2.33 -4.13 3.16 -0.02 -1.26 -5.00 135.00 127.14 1r61 n PRO 15 Ca 0.09 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.32 1r61 n PRO 15 Cb 0.53 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 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 1.08 0.44 -0.08 -1.45 -7.23 -1.26 -4.73 120.40 107.17 1r61 s VAL 16 Ca 0.78 -1.87 -0.35 0.00 -1.81 0.00 0.00 61.98 58.73 1r61 s VAL 16 Cb -0.63 -1.59 -0.13 0.00 0.56 0.00 0.00 36.38 34.58 1r61 s VAL 16 CO 0.37 -0.94 1.78 0.00 -0.31 0.00 0.00 175.10 176.00 1r61 n TYR 17 N 0.04 2.22 -1.44 2.82 9.36 -1.26 -0.47 117.16 128.44 1r61 n TYR 17 Ca -0.13 0.18 -0.15 0.00 3.32 0.00 0.00 57.90 61.11 1r61 n TYR 17 Cb 0.61 -2.59 -0.06 0.00 -0.63 0.00 0.00 39.34 36.67 1r61 n TYR 17 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1r61 n LYS 18 N 5.71 -1.54 -1.20 2.98 5.02 -1.26 -2.74 118.16 125.13 1r61 n LYS 18 Ca 0.22 1.03 -0.07 0.00 -2.02 0.00 0.00 58.31 57.47 1r61 n LYS 18 Cb 0.25 -5.41 -0.03 0.00 -0.02 0.00 0.00 35.03 29.82 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 -1.20 -5.26 -4.68 4.39 5.03 0.38 -4.93 115.26 109.00 1r61 n ASN 19 Ca -0.15 0.17 -0.42 0.00 0.87 0.00 0.00 54.58 55.05 1r61 n ASN 19 Cb 0.62 -3.37 -0.03 0.00 -1.02 0.00 0.00 39.78 35.98 1r61 n ASN 19 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1r61 s LYS 20 N -2.36 4.23 0.42 3.52 1.02 -1.11 -4.89 119.74 120.57 1r61 s LYS 20 Ca 0.00 2.10 0.08 0.00 0.02 0.00 0.00 55.97 58.17 1r61 s LYS 20 Cb 0.00 -3.69 0.89 0.00 -0.52 0.00 0.00 37.83 34.51 1r61 s LYS 20 CO 0.00 -0.69 2.06 -1.35 -0.92 0.00 0.00 175.35 174.45 1r61 h PRO 21 N 8.39 0.48 -0.96 -1.68 0.11 -1.93 -0.42 132.00 135.99 1r61 h PRO 21 Ca -0.39 -0.03 0.25 0.00 0.11 0.00 0.00 66.00 65.94 1r61 h PRO 21 Cb 1.18 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 1r61 h PRO 21 CO 0.93 0.33 0.66 0.93 -0.21 0.00 0.00 178.00 180.64 1r61 h GLU 22 N 0.49 0.18 0.00 1.05 3.07 -2.00 -2.32 114.58 115.06 1r61 h GLU 22 Ca 0.13 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1r61 h GLU 22 Cb -0.03 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1r61 h GLU 22 CO -0.03 0.12 0.00 1.63 -1.40 0.00 0.00 179.01 179.34 1r61 n LYS 23 N -4.39 0.09 -2.39 2.33 5.02 -0.17 -4.86 118.16 113.79 1r61 n LYS 23 Ca 0.21 0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 56.24 1r61 n LYS 23 Cb 0.90 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.40 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 -2.89 3.65 0.60 1.97 -1.52 -0.87 -4.52 119.66 116.07 1r61 s GLN 24 Ca 0.14 1.53 -0.13 0.00 -1.95 0.00 0.00 55.36 54.94 1r61 s GLN 24 Cb 0.15 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.76 1r61 s GLN 24 CO 0.40 -0.59 1.02 -1.25 -0.25 0.00 0.00 175.29 174.62 1r61 s PRO 25 N -3.12 3.57 -0.08 2.91 0.04 -1.26 -4.72 135.00 132.33 1r61 s PRO 25 Ca 0.68 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.65 1r61 s PRO 25 Cb -0.21 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1r61 s PRO 25 CO 0.25 -0.59 -0.13 0.15 0.04 0.00 0.00 177.00 176.72 1r61 s LYS 26 N -4.65 1.85 -0.09 4.56 1.02 -0.07 -4.45 119.74 117.91 1r61 s LYS 26 Ca 0.58 -0.46 -0.12 0.00 0.02 0.00 0.00 55.97 55.99 1r61 s LYS 26 Cb -0.12 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 35.60 1r61 s LYS 26 CO 0.45 0.01 0.28 0.50 -0.92 0.00 0.00 175.35 175.67 1r61 s ARG 27 N 0.74 3.87 -0.00 1.68 3.52 -1.26 -1.10 118.95 126.39 1r61 s ARG 27 Ca -0.13 0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.63 1r61 s ARG 27 Cb -0.16 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1r61 s ARG 27 CO 0.03 0.58 -0.10 0.95 -0.81 0.00 0.00 175.30 175.94 1r61 s THR 28 N -0.57 0.80 0.12 4.11 -4.23 -0.68 -4.99 115.64 110.20 1r61 s THR 28 Ca 0.18 -0.46 0.10 0.00 -1.18 0.00 0.00 61.69 60.33 1r61 s THR 28 Cb -0.14 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 1r61 s THR 28 CO 0.07 0.20 -0.25 -0.89 -0.54 0.00 0.00 174.62 173.21 1r61 s THR 29 N -0.28 2.12 0.08 3.99 2.01 -1.26 -0.56 115.64 121.73 1r61 s THR 29 Ca 0.03 -1.71 0.06 0.00 0.31 0.00 0.00 61.69 60.38 1r61 s THR 29 Cb -0.04 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1r61 s THR 29 CO -0.00 0.05 -0.16 0.27 -0.69 0.00 0.00 174.62 174.08 1r61 s ILE 30 N -1.10 1.26 -0.07 1.82 -0.00 -0.04 -5.00 121.20 118.07 1r61 s ILE 30 Ca 0.12 -1.34 0.03 0.00 -0.00 0.00 0.00 60.65 59.46 1r61 s ILE 30 Cb -0.10 -1.19 0.00 0.00 -0.00 0.00 0.00 42.46 41.18 1r61 s ILE 30 CO 0.06 -0.17 -0.17 -0.89 -0.00 0.00 0.00 174.94 173.77 1r61 s THR 31 N -1.22 1.44 -0.48 8.37 2.01 -1.26 -1.93 115.64 122.57 1r61 s THR 31 Ca 0.00 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.35 1r61 s THR 31 Cb -0.10 -1.27 0.14 0.00 0.01 0.00 0.00 72.50 71.28 1r61 s THR 31 CO 0.03 0.42 0.28 0.20 -0.69 0.00 0.00 174.62 174.85 1r61 s ASN 32 N 0.39 3.78 1.82 3.53 0.02 0.15 -5.00 114.94 119.63 1r61 s ASN 32 Ca -0.12 -2.87 0.00 0.00 -1.02 0.00 0.00 52.86 48.85 1r61 s ASN 32 Cb -0.15 -1.19 0.00 0.00 0.02 0.00 0.00 41.25 39.93 1r61 s ASN 32 CO 0.04 -0.23 0.00 0.61 0.02 0.00 0.00 177.10 177.54 1r61 n GLY 33 N 3.24 4.03 0.28 0.66 0.00 -1.26 -2.40 105.19 109.74 1r61 n GLY 33 Ca 0.10 0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.34 1r61 n GLY 33 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1r61 h TYR 34 N 0.00 0.00 -3.14 1.61 -0.00 -2.04 -3.46 116.97 109.95 1r61 h TYR 34 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.73 58.13 1r61 h TYR 34 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 36.73 36.65 1r61 h TYR 34 CO 0.00 0.05 -0.29 0.08 -0.00 0.00 0.00 178.16 178.01 1r61 s VAL 35 N -3.94 5.24 -0.09 -0.90 1.01 -1.01 -5.07 120.40 115.64 1r61 s VAL 35 Ca -0.02 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1r61 s VAL 35 Cb 0.11 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.87 1r61 s VAL 35 CO 0.53 0.46 -0.01 -0.89 0.00 0.00 0.00 175.10 175.19 1r61 s THR 36 N -0.14 0.50 -0.03 3.92 2.01 -1.26 -0.68 115.64 119.96 1r61 s THR 36 Ca 0.19 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1r61 s THR 36 Cb -0.14 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1r61 s THR 36 CO 0.07 0.25 -0.09 -1.61 -0.69 0.00 0.00 174.62 172.55 1r61 s GLU 37 N 1.92 1.03 0.09 4.92 2.02 -0.81 -5.02 118.70 122.85 1r61 s GLU 37 Ca 0.05 -0.31 0.06 0.00 0.02 0.00 0.00 54.97 54.78 1r61 s GLU 37 Cb -0.13 -0.95 -0.03 0.00 0.10 0.00 0.00 34.13 33.12 1r61 s GLU 37 CO -0.06 0.10 -0.16 -1.12 0.02 0.00 0.00 175.26 174.04 1r61 s SER 38 N 0.25 1.98 0.18 -0.19 0.01 -1.26 -0.86 113.70 113.81 1r61 s SER 38 Ca -0.04 -0.67 0.09 0.00 1.31 0.00 0.00 55.95 56.64 1r61 s SER 38 Cb -0.09 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1r61 s SER 38 CO 0.01 -0.05 -0.12 -0.13 0.41 0.00 0.00 173.24 173.35 1r61 s ARG 39 N -1.95 1.96 -0.11 12.44 0.52 0.27 -4.99 118.95 127.10 1r61 s ARG 39 Ca 0.02 -1.31 0.04 0.00 -0.52 0.00 0.00 55.73 53.96 1r61 s ARG 39 Cb -0.09 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1r61 s ARG 39 CO 0.03 0.43 -0.23 -1.50 0.02 0.00 0.00 175.30 174.05 1r61 s ILE 40 N -1.68 1.99 -0.26 1.52 1.10 -1.26 -1.69 121.20 120.92 1r61 s ILE 40 Ca 0.24 -0.97 -0.04 0.00 -0.51 0.00 0.00 60.65 59.37 1r61 s ILE 40 Cb -0.09 -1.73 0.01 0.00 0.15 0.00 0.00 42.46 40.80 1r61 s ILE 40 CO 0.14 0.54 -0.01 -0.62 -2.11 0.00 0.00 174.94 172.88 1r61 s ASP 41 N 0.46 4.58 0.00 4.50 2.15 -0.26 -4.99 116.67 123.13 1r61 s ASP 41 Ca -0.16 -0.70 -0.05 0.00 0.43 0.00 0.00 52.55 52.07 1r61 s ASP 41 Cb -0.17 -1.75 -0.00 0.00 -0.30 0.00 0.00 42.92 40.69 1r61 s ASP 41 CO 0.06 -0.12 0.09 0.00 -0.17 0.00 0.00 175.17 175.03 1r61 s MET 42 N 1.42 0.42 0.28 4.34 0.23 -1.26 -0.89 119.30 123.83 1r61 s MET 42 Ca 0.02 -0.42 -0.30 0.00 -1.03 0.00 0.00 55.69 53.96 1r61 s MET 42 Cb -0.16 0.17 -0.12 0.00 -1.53 0.00 0.00 34.83 33.19 1r61 s MET 42 CO -0.02 -0.09 1.57 -3.47 -2.03 0.00 0.00 175.02 170.98 1r61 n ASP 43 N 1.59 3.66 0.00 -1.18 2.03 -1.26 -4.88 116.55 116.51 1r61 n ASP 43 Ca -0.22 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.27 1r61 n ASP 43 Cb 0.56 -1.56 0.18 0.00 -0.72 0.00 0.00 41.12 39.57 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 2.14 1.36 -0.43 5.18 0.24 -1.26 -1.54 118.33 124.02 1r61 n VAL 44 Ca 0.09 0.34 0.08 0.00 -2.04 0.00 0.00 64.34 62.81 1r61 n VAL 44 Cb 0.36 -1.20 0.25 0.00 -1.47 0.00 0.00 33.84 31.78 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 -1.48 0.86 -1.69 6.34 8.25 -1.26 -2.67 115.22 123.57 1r61 n HIS 45 Ca 0.02 -0.58 -0.44 0.00 -0.26 0.00 0.00 57.72 56.46 1r61 n HIS 45 Cb 0.09 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 1r61 n HIS 45 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1r61 n THR 46 N 0.72 0.15 -0.65 1.59 -1.04 -0.59 -4.80 114.28 109.66 1r61 n THR 46 Ca 0.19 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1r61 n THR 46 Cb 0.64 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1r61 n THR 46 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r61 n GLY 47 N 3.40 3.11 3.68 3.41 0.00 -1.26 -4.26 105.19 113.27 1r61 n GLY 47 Ca 0.16 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 4.80 0.17 2.61 2.01 -1.26 -4.22 115.64 119.75 1r61 s THR 48 Ca 0.00 1.90 -0.22 0.00 0.31 0.00 0.00 61.69 63.68 1r61 s THR 48 Cb 0.00 -4.25 0.06 0.00 0.01 0.00 0.00 72.50 68.32 1r61 s THR 48 CO 0.00 -0.02 0.58 -1.38 -0.69 0.00 0.00 174.62 173.12 1r61 s HIS 49 N 2.25 -0.46 -0.07 4.92 -0.00 -0.07 -1.63 115.29 120.23 1r61 s HIS 49 Ca 0.44 0.21 0.01 0.00 -0.00 0.00 0.00 55.06 55.73 1r61 s HIS 49 Cb -0.17 0.53 -0.03 0.00 -0.00 0.00 0.00 32.58 32.91 1r61 s HIS 49 CO 0.14 -0.86 -0.08 0.42 -0.00 0.00 0.00 174.74 174.36 1r61 s ILE 50 N -3.77 3.61 -0.11 -5.38 -1.09 -0.25 -0.78 121.20 113.43 1r61 s ILE 50 Ca 0.02 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 57.92 1r61 s ILE 50 Cb -0.01 -2.47 0.03 0.00 -1.58 0.00 0.00 42.46 38.43 1r61 s ILE 50 CO -0.11 0.60 -0.05 -0.62 -1.23 0.00 0.00 174.94 173.52 1r61 s ASP 51 N -0.78 2.07 0.16 3.58 2.15 0.60 -1.87 116.67 122.58 1r61 s ASP 51 Ca 0.12 -0.27 0.08 0.00 0.43 0.00 0.00 52.55 52.91 1r61 s ASP 51 Cb -0.11 -0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 41.74 1r61 s ASP 51 CO 0.01 -0.15 -0.10 0.00 -0.17 0.00 0.00 175.17 174.77 1r61 s ALA 52 N 1.78 2.94 0.25 3.66 0.00 -0.37 -0.47 121.76 129.56 1r61 s ALA 52 Ca 0.05 -1.40 -0.31 0.00 0.00 0.00 0.00 51.96 50.30 1r61 s ALA 52 Cb -0.13 -0.78 -0.13 0.00 0.00 0.00 0.00 23.12 22.08 1r61 s ALA 52 CO -0.07 0.52 1.47 -2.30 0.00 0.00 0.00 175.76 175.38 1r61 n PRO 53 N 0.26 2.25 -0.24 0.00 -0.02 -1.26 -4.82 135.00 131.17 1r61 n PRO 53 Ca -0.12 0.80 0.28 0.00 -2.02 0.00 0.00 63.50 62.44 1r61 n PRO 53 Cb 0.54 -2.50 0.67 0.00 -0.02 0.00 0.00 33.50 32.19 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 4.44 0.13 0.00 2.45 5.85 -1.93 -1.31 115.31 124.95 1r61 h LEU 54 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1r61 h LEU 54 Cb 1.26 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1r61 h LEU 54 CO 0.77 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 1r61 n HIS 55 N -4.34 0.00 1.26 1.25 1.44 -1.26 -2.09 115.22 111.48 1r61 n HIS 55 Ca 0.21 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.06 1r61 n HIS 55 Cb 0.97 -0.48 0.56 0.00 0.12 0.00 0.00 29.99 31.16 1r61 n HIS 55 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1r61 n MET 56 N -1.48 0.43 -3.55 -1.40 2.81 -0.49 -4.51 117.12 108.92 1r61 n MET 56 Ca 0.03 -0.14 -0.29 0.00 -1.81 0.00 0.00 57.70 55.49 1r61 n MET 56 Cb 0.14 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.03 1r61 n MET 56 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1r61 s VAL 57 N -2.67 0.50 -0.73 2.03 -7.23 -0.89 -4.71 120.40 106.70 1r61 s VAL 57 Ca 0.23 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1r61 s VAL 57 Cb 0.19 -1.36 0.18 0.00 0.56 0.00 0.00 36.38 35.95 1r61 s VAL 57 CO 0.52 -0.92 0.53 -0.70 -0.31 0.00 0.00 175.10 174.22 1r61 s GLU 58 N 1.02 2.58 0.00 4.82 2.56 -1.26 -4.76 118.70 123.66 1r61 s GLU 58 Ca 0.17 -3.36 0.00 0.00 0.00 0.00 0.00 54.97 51.78 1r61 s GLU 58 Cb -0.22 -3.50 0.00 0.00 2.00 0.00 0.00 34.13 32.41 1r61 s GLU 58 CO -0.04 -1.29 0.00 0.41 -0.56 0.00 0.00 175.26 173.78 1r61 n GLY 59 N 1.99 0.50 0.00 -1.50 0.00 -1.26 -4.95 105.19 99.97 1r61 n GLY 59 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1r61 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r61 n GLY 60 N -0.35 0.27 0.15 -0.02 0.00 -1.26 -4.71 105.19 99.28 1r61 n GLY 60 Ca 0.00 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 1r61 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r61 n ALA 61 N -1.00 1.39 -0.96 4.61 0.00 -1.26 -4.92 120.51 118.37 1r61 n ALA 61 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1r61 n ALA 61 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1r61 n ALA 61 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1r61 n THR 62 N -3.66 0.00 -1.57 0.00 -1.04 -1.26 -2.47 114.28 104.29 1r61 n THR 62 Ca -0.47 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.29 1r61 n THR 62 Cb 0.92 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.52 1r61 n THR 62 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1r61 n PHE 63 N 10.91 2.68 -2.90 -1.42 0.99 -1.26 -4.91 117.46 121.55 1r61 n PHE 63 Ca 0.00 -2.41 -0.40 0.00 -0.00 0.00 0.00 57.45 54.64 1r61 n PHE 63 Cb 0.00 -0.88 -0.05 0.00 -1.00 0.00 0.00 39.48 37.54 1r61 n PHE 63 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1r61 s GLU 64 N -3.61 4.62 0.06 -1.08 2.12 -1.03 -4.88 118.70 114.90 1r61 s GLU 64 Ca 0.56 1.24 -0.00 0.00 0.36 0.00 0.00 54.97 57.13 1r61 s GLU 64 Cb 0.46 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1r61 s GLU 64 CO 0.02 0.41 -0.04 0.95 -0.54 0.00 0.00 175.26 176.06 1r61 s THR 65 N -0.61 0.34 0.04 -1.70 -4.23 -1.26 0.83 115.64 109.06 1r61 s THR 65 Ca 0.40 -1.78 -0.35 0.00 -1.18 0.00 0.00 61.69 58.77 1r61 s THR 65 Cb -0.23 -1.48 -0.14 0.00 1.34 0.00 0.00 72.50 71.99 1r61 s THR 65 CO 0.27 -0.93 1.65 -0.38 -0.54 0.00 0.00 174.62 174.69 1r61 n ILE 66 N 0.17 0.20 -2.54 2.99 5.41 -1.26 -4.88 119.36 119.45 1r61 n ILE 66 Ca -0.14 -0.04 -0.33 0.00 1.00 0.00 0.00 62.75 63.25 1r61 n ILE 66 Cb 0.61 -1.52 -0.04 0.00 -0.71 0.00 0.00 39.64 37.97 1r61 n ILE 66 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1r61 s PRO 67 N 2.01 4.00 0.00 0.38 0.04 -1.26 -4.99 135.00 135.19 1r61 s PRO 67 Ca 0.85 1.06 0.23 0.00 0.04 0.00 0.00 61.00 63.18 1r61 s PRO 67 Cb -0.75 -2.14 0.10 0.00 0.04 0.00 0.00 34.50 31.75 1r61 s PRO 67 CO 0.45 -0.23 1.16 1.28 0.04 0.00 0.00 177.00 179.71 1r61 n LEU 68 N -1.23 2.04 -0.34 -3.56 4.77 -1.26 -4.57 117.00 112.85 1r61 n LEU 68 Ca 0.07 -0.73 0.21 0.00 -0.03 0.00 0.00 56.01 55.52 1r61 n LEU 68 Cb 0.54 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 42.05 1r61 n LEU 68 CO 0.43 0.37 1.13 0.78 -1.33 0.00 0.00 177.39 178.77 1r61 h ASN 69 N 2.57 0.56 0.00 -1.43 4.21 -1.94 -1.85 115.58 117.71 1r61 h ASN 69 Ca 0.00 0.17 -0.06 0.00 1.21 0.00 0.00 56.30 57.62 1r61 h ASN 69 Cb 0.76 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 1r61 h ASN 69 CO 0.00 -0.04 -1.70 0.47 -1.29 0.00 0.00 177.43 174.87 1r61 n ASP 70 N -4.99 1.79 0.14 5.81 8.00 -1.26 -4.24 116.55 121.80 1r61 n ASP 70 Ca 0.29 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.92 1r61 n ASP 70 Cb 0.87 1.44 0.51 0.00 -0.02 0.00 0.00 41.12 43.92 1r61 n ASP 70 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1r61 h LEU 71 N 0.00 0.00 -7.62 0.64 3.38 -1.69 -3.39 115.31 106.63 1r61 h LEU 71 Ca -0.09 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.26 1r61 h LEU 71 Cb 0.93 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.29 1r61 h LEU 71 CO 0.00 0.00 -0.77 -0.69 0.09 0.00 0.00 178.44 177.07 1r61 s VAL 72 N -3.35 1.71 -5.00 1.22 1.01 -0.74 -0.73 120.40 114.52 1r61 s VAL 72 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.46 1r61 s VAL 72 Cb 0.09 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1r61 s VAL 72 CO 0.40 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1r61 n GLY 73 N 4.56 -0.52 3.77 4.51 0.00 -0.39 -4.86 105.19 112.26 1r61 n GLY 73 Ca -0.08 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.00 4.01 0.22 1.61 0.02 -1.26 -0.11 135.00 137.49 1r61 s PRO 74 Ca 0.00 1.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.74 1r61 s PRO 74 Cb 0.00 -2.59 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 1r61 s PRO 74 CO 0.00 -0.33 0.22 0.00 -0.33 0.00 0.00 177.00 176.56 1r61 s LYS 76 N -4.05 2.68 -0.13 0.00 1.02 -0.70 -1.59 119.74 116.98 1r61 s LYS 76 Ca 0.36 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.58 1r61 s LYS 76 Cb 0.05 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 1r61 s LYS 76 CO 0.13 0.02 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.37 1r61 s LEU 77 N 0.74 3.28 -0.08 3.17 0.20 0.28 -0.38 118.68 125.89 1r61 s LEU 77 Ca -0.10 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.70 1r61 s LEU 77 Cb -0.16 -1.77 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1r61 s LEU 77 CO 0.01 0.24 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.71 1r61 s PHE 78 N -0.06 2.51 -0.56 5.38 0.08 -0.77 -1.77 117.98 122.79 1r61 s PHE 78 Ca 0.02 -0.84 -0.26 0.00 0.12 0.00 0.00 56.93 55.97 1r61 s PHE 78 Cb -0.13 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1r61 s PHE 78 CO 0.03 -0.29 1.07 0.34 -0.10 0.00 0.00 175.22 176.27 1r61 s ASP 79 N 0.04 6.41 -0.26 1.36 -1.08 -1.26 -1.69 116.67 120.19 1r61 s ASP 79 Ca -0.10 -0.09 0.09 0.00 -0.52 0.00 0.00 52.55 51.94 1r61 s ASP 79 Cb -0.15 -2.50 0.45 0.00 -1.46 0.00 0.00 42.92 39.25 1r61 s ASP 79 CO 0.06 -1.35 1.27 0.18 0.52 0.00 0.00 175.17 175.85 1r61 n LEU 80 N 7.95 3.76 0.11 -1.34 4.77 0.11 -4.74 117.00 127.61 1r61 n LEU 80 Ca 0.05 -4.17 0.10 0.00 -0.03 0.00 0.00 56.01 51.97 1r61 n LEU 80 Cb 0.48 -0.50 0.45 0.00 -2.33 0.00 0.00 43.42 41.53 1r61 n LEU 80 CO 0.68 1.61 0.82 0.35 -1.33 0.00 0.00 177.39 179.52 1r61 n THR 81 N -0.99 0.93 0.44 -5.08 -2.24 -1.11 -1.73 114.28 104.50 1r61 n THR 81 Ca 0.30 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.52 1r61 n THR 81 Cb 0.83 -1.22 0.40 0.00 -2.10 0.00 0.00 70.33 68.24 1r61 n THR 81 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1r61 h HIS 82 N 0.00 0.00 -3.87 4.78 2.07 -1.90 -3.39 115.15 112.83 1r61 h HIS 82 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 1r61 h HIS 82 Cb 0.28 0.00 0.06 0.00 2.57 0.00 0.00 27.41 30.33 1r61 h HIS 82 CO 0.00 0.00 0.63 0.08 -3.07 0.00 0.00 177.93 175.57 1r61 s VAL 83 N -3.24 2.74 0.10 6.12 1.01 -0.71 -5.03 120.40 121.39 1r61 s VAL 83 Ca 0.07 0.75 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1r61 s VAL 83 Cb 0.10 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1r61 s VAL 83 CO 0.57 0.18 -0.08 0.20 0.00 0.00 0.00 175.10 175.96 1r61 s ASN 84 N -0.49 4.51 0.00 3.32 0.01 -1.26 -4.76 114.94 116.27 1r61 s ASN 84 Ca 0.49 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1r61 s ASN 84 Cb -0.40 -0.91 0.00 0.00 0.41 0.00 0.00 41.25 40.36 1r61 s ASN 84 CO 0.52 0.18 0.00 -0.67 -1.51 0.00 0.00 177.10 175.63 1r61 n ASP 85 N 0.73 0.00 -3.56 -1.22 2.03 -1.26 -4.76 116.55 108.51 1r61 n ASP 85 Ca -0.13 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.05 1r61 n ASP 85 Cb 0.52 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.75 -0.09 -0.67 1.70 -1.26 -3.45 118.95 115.93 1r61 s ARG 86 Ca 0.00 0.23 -0.23 0.00 -0.47 0.00 0.00 55.73 55.25 1r61 s ARG 86 Cb 0.00 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1r61 s ARG 86 CO 0.00 -0.23 0.71 0.42 -1.08 0.00 0.00 175.30 175.13 1r61 s ILE 87 N -1.03 5.02 0.41 4.99 1.01 0.14 -4.92 121.20 126.82 1r61 s ILE 87 Ca -0.05 1.45 0.07 0.00 0.00 0.00 0.00 60.65 62.12 1r61 s ILE 87 Cb -0.01 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1r61 s ILE 87 CO 0.04 0.21 0.12 0.42 0.00 0.00 0.00 174.94 175.73 1r61 s THR 88 N 1.07 2.21 0.24 2.92 -4.23 -1.26 -1.53 115.64 115.06 1r61 s THR 88 Ca 0.37 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1r61 s THR 88 Cb -0.17 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 70.89 1r61 s THR 88 CO 0.17 -0.00 1.68 0.50 -0.54 0.00 0.00 174.62 176.42 1r61 h LYS 89 N 1.54 0.23 0.00 3.99 3.64 -1.90 0.41 116.57 124.48 1r61 h LYS 89 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1r61 h LYS 89 Cb 1.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1r61 h LYS 89 CO 0.73 0.15 -0.02 -0.25 -2.27 0.00 0.00 179.45 177.80 1r61 n ASP 90 N -5.18 0.19 0.25 4.20 10.43 -1.26 -1.05 116.55 124.13 1r61 n ASP 90 Ca 0.13 0.50 0.16 0.00 2.57 0.00 0.00 54.79 58.14 1r61 n ASP 90 Cb 0.43 -0.54 0.57 0.00 1.84 0.00 0.00 41.12 43.42 1r61 n ASP 90 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1r61 h ASP 91 N 0.00 0.00 0.00 -2.24 3.32 -1.30 -3.39 116.42 112.82 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 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1r61 h ASP 91 CO 0.00 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 1r61 n ILE 92 N -3.02 0.00 0.24 0.35 -5.35 -0.36 -4.83 119.36 106.39 1r61 n ILE 92 Ca 0.01 -0.25 0.08 0.00 -0.27 0.00 0.00 62.75 62.32 1r61 n ILE 92 Cb 0.34 1.25 0.58 0.00 -1.74 0.00 0.00 39.64 40.08 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 1.46 -0.00 -1.28 0.00 -1.28 -1.61 119.26 116.54 1r61 h ALA 93 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1r61 h ALA 93 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1r61 h ALA 93 CO 0.00 0.23 -0.13 -2.39 0.00 0.00 0.00 179.25 176.95 1r61 n HIS 94 N -3.97 0.00 -1.64 0.00 1.44 -1.26 -4.93 115.22 104.85 1r61 n HIS 94 Ca -0.02 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.38 1r61 n HIS 94 Cb 0.27 -0.36 0.04 0.00 0.12 0.00 0.00 29.99 30.05 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 -2.86 3.14 -1.27 2.39 1.43 -0.61 -4.93 118.68 115.97 1r61 s LEU 95 Ca 0.17 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.68 1r61 s LEU 95 Cb 0.19 -4.48 0.11 0.00 0.03 0.00 0.00 46.19 42.05 1r61 s LEU 95 CO 0.55 -1.32 1.64 -0.67 0.23 0.00 0.00 176.35 176.79 1r61 n ASP 96 N -3.05 5.02 -4.34 2.29 2.03 -1.26 -4.94 116.55 112.30 1r61 n ASP 96 Ca 0.07 -2.95 -0.33 0.00 0.52 0.00 0.00 54.79 52.11 1r61 n ASP 96 Cb 0.54 -1.67 -0.15 0.00 -0.72 0.00 0.00 41.12 39.12 1r61 n ASP 96 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1r61 s ILE 97 N 3.03 2.85 0.23 5.18 1.01 -1.26 -5.09 121.20 127.15 1r61 s ILE 97 Ca 0.49 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1r61 s ILE 97 Cb 0.02 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1r61 s ILE 97 CO 0.04 0.53 -0.02 -1.10 0.00 0.00 0.00 174.94 174.40 1r61 s GLN 98 N 0.31 1.33 0.19 2.79 -1.52 -1.26 -5.07 119.66 116.42 1r61 s GLN 98 Ca -0.12 -1.66 -0.33 0.00 -1.95 0.00 0.00 55.36 51.30 1r61 s GLN 98 Cb -0.16 -0.66 -0.14 0.00 -0.22 0.00 0.00 33.01 31.82 1r61 s GLN 98 CO 0.06 -0.07 1.42 -1.91 -0.25 0.00 0.00 175.29 174.55 1r61 n GLU 99 N -0.41 1.86 0.00 2.91 2.13 -1.25 -1.17 120.64 124.71 1r61 n GLU 99 Ca -0.06 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1r61 n GLU 99 Cb 0.63 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 30.01 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 2.59 1.68 3.82 8.31 0.00 -0.55 -4.89 105.19 116.16 1r61 n GLY 100 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.22 5.70 -0.23 1.61 1.01 -0.31 -4.04 116.67 118.18 1r61 s ASP 101 Ca 0.00 1.65 -0.03 0.00 0.71 0.00 0.00 52.55 54.88 1r61 s ASP 101 Cb 0.00 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1r61 s ASP 101 CO 0.00 -1.23 -0.05 0.12 0.21 0.00 0.00 175.17 174.22 1r61 s PHE 102 N -2.85 2.99 -0.00 4.23 5.99 -1.26 0.33 117.98 127.42 1r61 s PHE 102 Ca 0.59 -1.21 0.06 0.00 0.00 0.00 0.00 56.93 56.37 1r61 s PHE 102 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 43.02 40.77 1r61 s PHE 102 CO 0.47 -0.64 -0.18 0.14 -0.00 0.00 0.00 175.22 175.01 1r61 s VAL 103 N 1.41 2.73 -0.05 3.12 -7.23 0.14 -1.71 120.40 118.81 1r61 s VAL 103 Ca 0.04 -1.02 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 1r61 s VAL 103 Cb -0.15 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1r61 s VAL 103 CO -0.04 0.47 -0.25 -0.76 -0.31 0.00 0.00 175.10 174.21 1r61 s LEU 104 N -1.04 2.10 -0.30 1.32 1.43 0.48 -0.53 118.68 122.14 1r61 s LEU 104 Ca 0.13 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1r61 s LEU 104 Cb -0.10 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.77 1r61 s LEU 104 CO 0.02 0.26 0.02 -0.36 0.23 0.00 0.00 176.35 176.52 1r61 s PHE 105 N -0.24 3.20 -0.24 0.29 0.08 -0.45 -1.84 117.98 118.77 1r61 s PHE 105 Ca -0.01 -1.56 -0.24 0.00 0.12 0.00 0.00 56.93 55.24 1r61 s PHE 105 Cb -0.13 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.16 1r61 s PHE 105 CO 0.03 -0.74 0.80 0.21 -0.10 0.00 0.00 175.22 175.43 1r61 s LYS 106 N 1.34 4.18 0.30 0.44 2.20 -0.68 -3.99 119.74 123.53 1r61 s LYS 106 Ca -0.02 0.90 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1r61 s LYS 106 Cb -0.19 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1r61 s LYS 106 CO -0.00 -0.50 0.08 0.25 -0.36 0.00 0.00 175.35 174.82 1r61 n THR 107 N 5.22 0.00 -0.11 3.43 -2.24 -1.26 0.03 114.28 119.36 1r61 n THR 107 Ca 0.05 -1.66 0.27 0.00 -2.27 0.00 0.00 64.05 60.43 1r61 n THR 107 Cb 0.48 0.55 0.71 0.00 -2.10 0.00 0.00 70.33 69.97 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 -0.55 -0.78 1.57 -1.79 -0.57 116.57 114.45 1r61 h LYS 108 Ca -0.23 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1r61 h LYS 108 Cb 0.85 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1r61 h LYS 108 CO 0.38 0.00 0.37 -0.91 -0.57 0.00 0.00 179.45 178.71 1r61 h ASN 109 N 0.00 0.38 0.19 0.86 -0.26 -1.92 -0.65 115.58 114.18 1r61 h ASN 109 Ca 0.37 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.11 1r61 h ASN 109 Cb 1.67 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.86 1r61 h ASN 109 CO -0.00 0.24 -0.01 0.28 -1.06 0.00 0.00 177.43 176.87 1r61 h SER 110 N 0.43 0.00 -0.68 5.81 0.02 -1.28 -2.14 113.55 115.71 1r61 h SER 110 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1r61 h SER 110 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1r61 h SER 110 CO -0.07 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.13 1r61 n PHE 111 N -3.24 1.36 -5.08 3.45 3.72 -0.25 -4.42 117.46 113.00 1r61 n PHE 111 Ca -0.02 -0.58 -0.29 0.00 -0.05 0.00 0.00 57.45 56.51 1r61 n PHE 111 Cb 0.12 -0.18 -0.16 0.00 -0.94 0.00 0.00 39.48 38.32 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 -1.61 2.18 -0.05 -1.08 2.02 -0.81 -5.04 118.70 114.31 1r61 s GLU 112 Ca 0.51 -0.78 0.19 0.00 0.02 0.00 0.00 54.97 54.91 1r61 s GLU 112 Cb 0.31 -1.88 -0.23 0.00 0.10 0.00 0.00 34.13 32.43 1r61 s GLU 112 CO 0.27 0.33 0.47 -0.25 0.02 0.00 0.00 175.26 176.11 1r61 n ASP 113 N 2.99 0.33 -4.94 -0.19 8.00 -1.26 -4.96 116.55 116.52 1r61 n ASP 113 Ca -0.18 0.14 -0.24 0.00 0.71 0.00 0.00 54.79 55.22 1r61 n ASP 113 Cb 0.52 0.96 0.02 0.00 -0.02 0.00 0.00 41.12 42.60 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 -2.95 3.60 0.15 2.24 0.00 -1.26 -4.80 121.76 118.74 1r61 s ALA 114 Ca -0.07 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 50.67 1r61 s ALA 114 Cb 0.09 -2.31 -0.09 0.00 0.00 0.00 0.00 23.12 20.82 1r61 s ALA 114 CO 0.84 -0.50 1.43 0.12 0.00 0.00 0.00 175.76 177.65 1r61 s PHE 115 N -2.70 3.18 -0.14 0.00 5.36 -1.26 -5.01 117.98 117.41 1r61 s PHE 115 Ca 0.50 0.91 0.02 0.00 -0.96 0.00 0.00 56.93 57.40 1r61 s PHE 115 Cb -0.10 -3.75 0.01 0.00 -0.34 0.00 0.00 43.02 38.84 1r61 s PHE 115 CO 0.40 -2.61 -0.20 -1.01 -1.46 0.00 0.00 175.22 170.34 1r61 s HIS 116 N 0.90 2.69 0.35 10.12 3.76 -1.26 -5.01 115.29 126.84 1r61 s HIS 116 Ca 0.65 -1.25 0.05 0.00 -0.15 0.00 0.00 55.06 54.36 1r61 s HIS 116 Cb -0.39 -1.83 0.72 0.00 1.11 0.00 0.00 32.58 32.19 1r61 s HIS 116 CO 0.33 -0.57 1.94 0.74 -0.85 0.00 0.00 174.74 176.33 1r61 h PHE 117 N 7.28 0.82 -2.16 1.40 0.04 -2.01 -3.14 116.94 119.17 1r61 h PHE 117 Ca -0.32 0.02 -0.80 0.00 2.80 0.00 0.00 57.97 59.68 1r61 h PHE 117 Cb 1.19 -0.27 -0.27 0.00 2.20 0.00 0.00 35.95 38.81 1r61 h PHE 117 CO 0.48 0.41 1.04 0.39 -0.60 0.00 0.00 178.31 180.03 1r61 n GLU 118 N -4.49 4.53 -1.55 1.51 1.02 -1.26 -4.99 120.64 115.41 1r61 n GLU 118 Ca 0.12 -4.28 -0.33 0.00 -0.02 0.00 0.00 57.16 52.65 1r61 n GLU 118 Cb 0.26 -2.40 0.07 0.00 -0.02 0.00 0.00 31.44 29.35 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 -4.25 2.42 0.01 -0.32 -0.12 -1.19 -4.89 117.98 109.65 1r61 s PHE 119 Ca 0.43 1.58 -0.30 0.00 -0.05 0.00 0.00 56.93 58.59 1r61 s PHE 119 Cb 0.28 -3.23 -0.06 0.00 -0.63 0.00 0.00 43.02 39.38 1r61 s PHE 119 CO -0.23 -1.98 1.39 0.42 -0.05 0.00 0.00 175.22 174.77 1r61 s ILE 120 N -2.35 3.70 0.35 -4.49 -1.09 -1.26 -4.81 121.20 111.25 1r61 s ILE 120 Ca 0.68 1.11 0.04 0.00 -2.23 0.00 0.00 60.65 60.25 1r61 s ILE 120 Cb -0.22 -3.71 -0.07 0.00 -1.58 0.00 0.00 42.46 36.88 1r61 s ILE 120 CO 0.45 0.01 0.05 0.72 -1.23 0.00 0.00 174.94 174.94 1r61 s PHE 121 N 2.22 2.07 -0.36 3.97 -0.12 -1.22 -4.76 117.98 119.77 1r61 s PHE 121 Ca 0.63 -0.91 -0.22 0.00 -0.05 0.00 0.00 56.93 56.39 1r61 s PHE 121 Cb -0.32 -1.39 0.01 0.00 -0.63 0.00 0.00 43.02 40.70 1r61 s PHE 121 CO 0.27 0.09 0.70 0.08 -0.05 0.00 0.00 175.22 176.30 1r61 s VAL 122 N -3.17 4.82 0.74 -2.49 1.01 -0.17 -0.69 120.40 120.46 1r61 s VAL 122 Ca 0.35 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 1r61 s VAL 122 Cb 0.09 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.37 1r61 s VAL 122 CO 0.16 -0.38 1.08 0.00 0.00 0.00 0.00 175.10 175.96 1r61 s ALA 123 N 2.87 2.52 0.22 5.51 0.00 -0.58 -4.73 121.76 127.57 1r61 s ALA 123 Ca 0.27 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.01 1r61 s ALA 123 Cb -0.14 -3.11 0.35 0.00 0.00 0.00 0.00 23.12 20.22 1r61 s ALA 123 CO 0.16 -1.43 1.71 1.49 0.00 0.00 0.00 175.76 177.69 1r61 h GLU 124 N -0.87 0.31 -0.08 0.00 4.81 -1.94 -0.54 114.58 116.27 1r61 h GLU 124 Ca -0.46 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 1r61 h GLU 124 Cb 1.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1r61 h GLU 124 CO 0.60 0.21 -0.42 0.38 -0.73 0.00 0.00 179.01 179.04 1r61 h ASP 125 N 0.32 0.20 -0.06 1.04 -0.00 -1.92 0.12 116.42 116.12 1r61 h ASP 125 Ca 0.35 -0.08 -0.22 0.00 -0.00 0.00 0.00 57.03 57.08 1r61 h ASP 125 Cb 0.52 -0.06 0.01 0.00 -0.00 0.00 0.00 39.33 39.81 1r61 h ASP 125 CO -0.40 0.61 -0.82 0.00 -0.00 0.00 0.00 179.24 178.63 1r61 h ALA 126 N 1.41 0.19 -0.99 4.15 0.00 -1.53 -1.67 119.26 120.81 1r61 h ALA 126 Ca 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1r61 h ALA 126 Cb 0.82 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1r61 h ALA 126 CO 0.06 0.59 0.66 0.00 0.00 0.00 0.00 179.25 180.56 1r61 h ALA 127 N 0.45 1.30 -0.29 0.00 0.00 -0.04 -0.94 119.26 119.73 1r61 h ALA 127 Ca -0.08 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 1r61 h ALA 127 Cb 1.47 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1r61 h ALA 127 CO 0.16 0.65 -0.48 0.00 0.00 0.00 0.00 179.25 179.59 1r61 h ARG 128 N 1.34 0.84 -0.47 0.00 3.08 -0.72 0.11 114.38 118.56 1r61 h ARG 128 Ca 0.37 -0.51 0.07 0.00 0.07 0.00 0.00 59.98 59.98 1r61 h ARG 128 Cb -0.14 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 1r61 h ARG 128 CO -0.08 1.15 0.11 -0.92 -1.07 0.00 0.00 179.97 179.15 1r61 h TYR 129 N 0.61 0.18 -0.22 3.04 3.20 -0.93 -0.09 116.97 122.75 1r61 h TYR 129 Ca 0.02 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.73 1r61 h TYR 129 Cb 1.08 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1r61 h TYR 129 CO 0.07 0.02 -0.62 -0.07 -1.64 0.00 0.00 178.16 175.92 1r61 h LEU 130 N 0.25 0.86 -0.63 2.82 3.38 -0.73 -1.39 115.31 119.87 1r61 h LEU 130 Ca 0.23 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1r61 h LEU 130 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1r61 h LEU 130 CO -0.29 1.28 0.19 0.00 0.09 0.00 0.00 178.44 179.71 1r61 h ALA 131 N 0.73 0.83 0.00 1.53 0.00 -0.42 -1.40 119.26 120.52 1r61 h ALA 131 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1r61 h ALA 131 Cb 1.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1r61 h ALA 131 CO 0.13 0.50 -0.27 -0.44 0.00 0.00 0.00 179.25 179.17 1r61 h ASP 132 N 0.91 0.00 1.64 0.00 5.19 -0.90 -0.43 116.42 122.83 1r61 h ASP 132 Ca 0.20 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1r61 h ASP 132 Cb 0.30 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.81 1r61 h ASP 132 CO -0.01 0.27 -0.03 0.50 -3.12 0.00 0.00 179.24 176.85 1r61 h LYS 133 N 0.00 0.00 -4.09 3.56 1.63 -0.34 -3.47 116.57 113.86 1r61 h LYS 133 Ca -0.00 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 1r61 h LYS 133 Cb 0.84 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 32.56 1r61 h LYS 133 CO 0.03 0.03 -0.44 1.04 -3.45 0.00 0.00 179.45 176.67 1r61 n GLN 134 N -3.11 -4.54 -0.65 1.90 6.02 -0.17 -3.90 117.38 112.92 1r61 n GLN 134 Ca 0.03 0.51 -0.31 0.00 -0.01 0.00 0.00 57.00 57.22 1r61 n GLN 134 Cb 0.47 -4.57 0.18 0.00 1.02 0.00 0.00 30.24 27.33 1r61 n GLN 134 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1r61 n ILE 135 N -3.55 0.00 0.93 5.09 -5.35 -1.21 -1.48 119.36 113.78 1r61 n ILE 135 Ca -0.07 -0.09 0.09 0.00 -0.27 0.00 0.00 62.75 62.41 1r61 n ILE 135 Cb 0.57 -0.96 -0.11 0.00 -1.74 0.00 0.00 39.64 37.40 1r61 n ILE 135 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1r61 n ARG 136 N -4.13 0.54 -3.56 6.28 3.00 0.15 -4.60 116.66 114.34 1r61 n ARG 136 Ca 0.10 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.85 57.77 1r61 n ARG 136 Cb 0.53 -1.43 -0.05 0.00 0.00 0.00 0.00 32.46 31.50 1r61 n ARG 136 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1r61 s GLY 137 N -2.83 -0.38 -0.02 5.14 0.00 -1.05 -2.15 107.32 106.03 1r61 s GLY 137 Ca 0.08 1.78 0.01 0.00 0.00 0.00 0.00 44.72 46.59 1r61 s GLY 137 CO 0.79 1.03 -0.03 0.54 0.00 0.00 0.00 173.10 175.43 1r61 s VAL 138 N -1.10 0.31 0.03 1.40 0.11 -0.35 -0.68 120.40 120.13 1r61 s VAL 138 Ca -0.05 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.02 1r61 s VAL 138 Cb -0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1r61 s VAL 138 CO 0.05 0.14 -0.25 -0.83 -3.33 0.00 0.00 175.10 170.88 1r61 s GLY 139 N 0.54 1.29 0.14 6.54 0.00 0.31 -1.58 107.32 114.56 1r61 s GLY 139 Ca -0.06 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1r61 s GLY 139 CO -0.01 -1.05 -0.06 -1.50 0.00 0.00 0.00 173.10 170.48 1r61 s ILE 140 N -0.75 0.91 -0.22 0.90 1.10 -0.38 -1.34 121.20 121.41 1r61 s ILE 140 Ca 0.10 -2.00 0.13 0.00 -0.51 0.00 0.00 60.65 58.37 1r61 s ILE 140 Cb -0.10 -1.87 0.47 0.00 0.15 0.00 0.00 42.46 41.11 1r61 s ILE 140 CO 0.01 -0.72 1.37 -0.90 -2.11 0.00 0.00 174.94 172.60 1r61 n ASP 141 N -0.17 2.71 -4.61 4.50 5.75 -1.26 -2.09 116.55 121.39 1r61 n ASP 141 Ca -0.10 -3.49 -0.23 0.00 -0.01 0.00 0.00 54.79 50.96 1r61 n ASP 141 Cb 0.61 -0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 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 -3.08 3.09 0.44 2.12 0.00 -1.26 -4.28 121.76 118.79 1r61 s ALA 142 Ca 0.41 -1.70 0.38 0.00 0.00 0.00 0.00 51.96 51.05 1r61 s ALA 142 Cb 0.36 -0.68 1.90 0.00 0.00 0.00 0.00 23.12 24.70 1r61 s ALA 142 CO 0.02 0.27 2.19 -0.07 0.00 0.00 0.00 175.76 178.16 1r61 h LEU 143 N 1.95 0.00 -8.54 0.00 3.38 -1.91 -0.12 115.31 110.07 1r61 h LEU 143 Ca -0.43 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.09 1r61 h LEU 143 Cb 1.25 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.80 1r61 h LEU 143 CO 0.60 0.02 -0.78 -0.83 0.09 0.00 0.00 178.44 177.54 1r61 s GLY 144 N -4.17 1.03 0.00 0.83 0.00 -1.26 -4.49 107.32 99.26 1r61 s GLY 144 Ca -0.03 -1.17 0.24 0.00 0.00 0.00 0.00 44.72 43.77 1r61 s GLY 144 CO 0.49 -1.20 1.29 4.51 0.00 0.00 0.00 173.10 178.19 1r61 n ILE 145 N 0.94 0.00 -3.89 0.90 3.06 -1.26 -4.88 119.36 114.23 1r61 n ILE 145 Ca -0.19 -0.12 -0.12 0.00 -2.50 0.00 0.00 62.75 59.83 1r61 n ILE 145 Cb 0.55 0.71 -0.14 0.00 0.54 0.00 0.00 39.64 41.30 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 -2.68 0.04 0.28 9.51 2.12 -1.26 -1.00 118.70 125.72 1r61 s GLU 146 Ca 0.17 -0.04 -0.07 0.00 0.36 0.00 0.00 54.97 55.39 1r61 s GLU 146 Cb 0.18 -0.02 -0.00 0.00 0.26 0.00 0.00 34.13 34.55 1r61 s GLU 146 CO 0.63 0.00 0.44 -0.98 -0.54 0.00 0.00 175.26 174.82 1r61 s ARG 147 N -0.07 1.67 -2.00 4.30 1.70 -1.26 -4.96 118.95 118.32 1r61 s ARG 147 Ca -0.01 -1.50 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 1r61 s ARG 147 Cb -0.01 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1r61 s ARG 147 CO -0.00 -0.68 0.00 0.00 -1.08 0.00 0.00 175.30 173.54 1r61 n ALA 148 N -0.44 -0.44 -3.75 7.88 0.00 -1.26 -4.91 120.51 117.59 1r61 n ALA 148 Ca -0.00 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 1r61 n ALA 148 Cb 0.62 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.83 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 -4.28 0.74 0.26 0.00 -0.21 -1.26 -5.12 119.66 109.79 1r61 s GLN 149 Ca 0.00 -1.10 -0.31 0.00 0.02 0.00 0.00 55.36 53.97 1r61 s GLN 149 Cb 0.00 -2.04 -0.13 0.00 1.00 0.00 0.00 33.01 31.85 1r61 s GLN 149 CO 0.00 -0.98 1.53 -1.91 -2.12 0.00 0.00 175.29 171.81 1r61 n GLU 150 N 4.82 2.40 -0.18 2.91 2.13 -1.26 -1.74 120.64 129.72 1r61 n GLU 150 Ca -0.02 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.66 1r61 n GLU 150 Cb 0.42 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.54 1r61 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r61 n GLY 151 N 2.40 1.89 3.44 8.31 0.00 -1.26 -4.44 105.19 115.52 1r61 n GLY 151 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.19 0.20 1.61 8.25 -0.71 -4.86 115.22 115.52 1r61 n HIS 152 Ca 0.00 0.93 0.05 0.00 -0.26 0.00 0.00 57.72 58.44 1r61 n HIS 152 Cb 0.00 -4.99 0.49 0.00 1.12 0.00 0.00 29.99 26.61 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 -1.85 0.05 0.15 -0.41 0.13 -1.78 -1.46 132.00 126.84 1r61 h PRO 153 Ca -0.59 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.53 1r61 h PRO 153 Cb 1.34 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1r61 h PRO 153 CO 0.50 0.21 -0.16 1.15 -0.23 0.00 0.00 178.00 179.46 1r61 h THR 154 N 0.05 0.64 -0.40 1.56 2.02 -1.90 -0.93 112.91 113.95 1r61 h THR 154 Ca 0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1r61 h THR 154 Cb 0.30 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1r61 h THR 154 CO 0.02 0.00 0.08 0.45 0.37 0.00 0.00 175.52 176.44 1r61 h HIS 155 N -0.35 0.70 -0.02 3.16 3.86 -1.82 -2.65 115.15 118.03 1r61 h HIS 155 Ca 0.01 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.04 1r61 h HIS 155 Cb 0.34 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1r61 h HIS 155 CO -0.14 0.68 -0.38 0.87 0.86 0.00 0.00 177.93 179.82 1r61 h LYS 156 N 0.52 0.04 0.05 2.45 1.57 -1.19 -0.54 116.57 119.46 1r61 h LYS 156 Ca 0.12 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.61 1r61 h LYS 156 Cb 0.34 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.67 1r61 h LYS 156 CO 0.00 0.41 -1.13 0.00 -0.57 0.00 0.00 179.45 178.17 1r61 h THR 157 N 0.03 1.29 -0.88 -0.16 1.03 -1.10 -1.80 112.91 111.33 1r61 h THR 157 Ca 0.00 -2.36 0.02 0.00 -0.01 0.00 0.00 66.41 64.06 1r61 h THR 157 Cb 0.69 2.52 -0.05 0.00 -1.07 0.00 0.00 68.15 70.24 1r61 h THR 157 CO 0.05 0.72 0.57 -0.07 -0.01 0.00 0.00 175.52 176.79 1r61 h LEU 158 N 0.33 0.97 -0.29 0.00 3.38 -1.19 -2.84 115.31 115.68 1r61 h LEU 158 Ca -0.15 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.60 1r61 h LEU 158 Cb 1.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1r61 h LEU 158 CO 0.22 0.69 -0.86 -0.26 0.09 0.00 0.00 178.44 178.32 1r61 h PHE 159 N 1.15 0.43 -0.80 1.13 0.04 -0.97 -0.76 116.94 117.16 1r61 h PHE 159 Ca 0.34 -0.23 0.09 0.00 2.80 0.00 0.00 57.97 60.97 1r61 h PHE 159 Cb -0.07 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 37.98 1r61 h PHE 159 CO -0.01 1.02 0.52 1.03 -0.60 0.00 0.00 178.31 180.27 1r61 h SER 160 N 0.18 0.69 0.03 2.17 0.87 -1.12 -0.95 113.55 115.43 1r61 h SER 160 Ca -0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1r61 h SER 160 Cb 1.47 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1r61 h SER 160 CO 0.14 0.42 -0.06 0.00 -0.53 0.00 0.00 176.83 176.80 1r61 n ALA 161 N -2.44 2.68 -0.60 6.23 0.00 -0.91 -4.91 120.51 120.57 1r61 n ALA 161 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1r61 n ALA 161 Cb 0.30 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.23 0.66 3.74 0.00 0.00 -0.36 -4.98 105.19 105.48 1r61 n GLY 162 Ca 0.17 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 3.91 0.01 1.61 1.01 -0.37 -4.88 120.40 119.70 1r61 s VAL 163 Ca 0.00 1.70 -0.18 0.00 0.00 0.00 0.00 61.98 63.49 1r61 s VAL 163 Cb 0.00 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 1r61 s VAL 163 CO 0.00 0.31 0.52 -0.63 0.00 0.00 0.00 175.10 175.31 1r61 s ILE 164 N -0.41 4.90 -0.13 2.22 1.01 -0.91 -4.36 121.20 123.52 1r61 s ILE 164 Ca 0.48 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 62.19 1r61 s ILE 164 Cb -0.29 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1r61 s ILE 164 CO 0.35 0.50 -0.00 -0.63 0.00 0.00 0.00 174.94 175.16 1r61 s ILE 165 N -0.69 4.23 -0.09 2.92 1.01 0.38 -1.20 121.20 127.76 1r61 s ILE 165 Ca 0.28 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1r61 s ILE 165 Cb -0.18 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1r61 s ILE 165 CO 0.16 0.54 -0.15 -0.63 0.00 0.00 0.00 174.94 174.86 1r61 s ILE 166 N -0.21 2.92 0.23 2.92 1.01 -0.62 -0.29 121.20 127.16 1r61 s ILE 166 Ca 0.05 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1r61 s ILE 166 Cb -0.12 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1r61 s ILE 166 CO 0.02 0.56 -0.08 -1.61 0.00 0.00 0.00 174.94 173.83 1r61 s GLU 167 N -0.19 1.36 -0.94 2.79 2.02 0.04 -1.25 118.70 122.54 1r61 s GLU 167 Ca -0.00 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.33 1r61 s GLU 167 Cb -0.13 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.14 1r61 s GLU 167 CO 0.03 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.78 1r61 n GLY 168 N -0.43 1.02 3.71 -1.39 0.00 -0.06 -0.89 105.19 107.15 1r61 n GLY 168 Ca -0.07 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.05 3.11 -0.32 0.99 1.43 -0.89 -4.14 118.68 116.81 1r61 s LEU 169 Ca 0.00 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 55.38 1r61 s LEU 169 Cb 0.00 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.74 1r61 s LEU 169 CO 0.00 -2.58 0.04 -0.13 0.23 0.00 0.00 176.35 173.90 1r61 s ARG 170 N -4.28 1.38 0.00 1.70 1.81 0.35 -4.44 118.95 115.48 1r61 s ARG 170 Ca 0.70 -1.57 0.08 0.00 -1.72 0.00 0.00 55.73 53.23 1r61 s ARG 170 Cb -0.26 -2.85 0.18 0.00 -0.45 0.00 0.00 34.95 31.58 1r61 s ARG 170 CO 0.51 -0.89 1.07 1.28 -0.68 0.00 0.00 175.30 176.60 1r61 n LEU 171 N 4.44 2.41 -0.20 2.53 4.77 -1.26 -4.49 117.00 125.19 1r61 n LEU 171 Ca -0.00 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.27 1r61 n LEU 171 Cb 0.42 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.48 1r61 n LEU 171 CO 0.19 0.58 0.80 0.50 -1.33 0.00 0.00 177.39 178.13 1r61 h LYS 172 N 1.55 0.07 -0.06 3.23 3.64 -1.95 -1.61 116.57 121.45 1r61 h LYS 172 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r61 h LYS 172 Cb 0.58 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1r61 h LYS 172 CO 0.00 0.05 0.00 -0.25 -2.27 0.00 0.00 179.45 176.98 1r61 n ASP 173 N -5.33 0.74 -4.49 4.20 8.00 -1.26 -4.85 116.55 113.56 1r61 n ASP 173 Ca 0.08 -1.48 -0.35 0.00 0.71 0.00 0.00 54.79 53.75 1r61 n ASP 173 Cb 0.35 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.93 4.24 0.32 2.53 1.01 -0.61 -5.08 120.40 120.89 1r61 s VAL 174 Ca 0.33 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1r61 s VAL 174 Cb 0.16 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1r61 s VAL 174 CO 0.26 0.40 1.21 -2.84 0.00 0.00 0.00 175.10 174.14 1r61 s PRO 175 N 1.06 4.43 -0.08 2.72 0.02 -1.26 -4.96 135.00 136.93 1r61 s PRO 175 Ca 0.03 2.02 -0.35 0.00 0.02 0.00 0.00 61.00 62.72 1r61 s PRO 175 Cb -0.14 -3.07 -0.17 0.00 0.02 0.00 0.00 34.50 31.14 1r61 s PRO 175 CO 0.02 -0.05 0.98 -1.91 -0.33 0.00 0.00 177.00 175.72 1r61 n GLU 176 N 0.86 0.00 -2.10 5.54 2.13 -1.26 -4.84 120.64 120.98 1r61 n GLU 176 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1r61 n GLU 176 Cb 0.43 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.89 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 1.66 -0.43 3.82 8.31 0.00 -0.73 -5.02 105.19 112.79 1r61 n GLY 177 Ca 0.19 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 3.21 0.04 1.61 0.52 -1.26 -0.55 118.95 120.52 1r61 s ARG 178 Ca 0.00 -0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.80 1r61 s ARG 178 Cb 0.00 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 1r61 s ARG 178 CO 0.00 0.68 0.03 0.71 0.02 0.00 0.00 175.30 176.74 1r61 s TYR 179 N -1.17 0.33 -0.31 -0.53 2.02 -0.62 -4.80 117.35 112.26 1r61 s TYR 179 Ca 0.22 -0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 56.00 1r61 s TYR 179 Cb -0.12 -0.24 -0.01 0.00 -0.40 0.00 0.00 41.96 41.19 1r61 s TYR 179 CO 0.13 -0.36 0.53 0.12 -1.57 0.00 0.00 175.55 174.39 1r61 s PHE 180 N -3.03 3.22 -0.02 2.71 5.36 -0.30 -0.48 117.98 125.44 1r61 s PHE 180 Ca -0.01 0.42 -0.07 0.00 -0.96 0.00 0.00 56.93 56.30 1r61 s PHE 180 Cb 0.01 -2.85 -0.05 0.00 -0.34 0.00 0.00 43.02 39.80 1r61 s PHE 180 CO -0.07 -0.43 0.25 1.41 -1.46 0.00 0.00 175.22 174.92 1r61 s MET 181 N 2.39 3.57 -0.31 10.12 -2.45 0.84 -0.55 119.30 132.92 1r61 s MET 181 Ca 0.20 -0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.60 1r61 s MET 181 Cb -0.15 -3.12 0.09 0.00 1.25 0.00 0.00 34.83 32.90 1r61 s MET 181 CO 0.12 0.68 0.05 0.08 1.05 0.00 0.00 175.02 177.00 1r61 s VAL 182 N -1.22 1.49 -0.51 10.11 1.01 0.15 -1.27 120.40 130.16 1r61 s VAL 182 Ca 0.24 -1.70 -0.14 0.00 0.00 0.00 0.00 61.98 60.38 1r61 s VAL 182 Cb -0.13 -2.05 0.12 0.00 0.00 0.00 0.00 36.38 34.31 1r61 s VAL 182 CO 0.13 -0.54 0.44 0.00 0.00 0.00 0.00 175.10 175.12 1r61 s ALA 183 N 1.32 3.56 -0.50 5.51 0.00 0.09 -1.42 121.76 130.32 1r61 s ALA 183 Ca 0.07 -2.46 -0.08 0.00 0.00 0.00 0.00 51.96 49.50 1r61 s ALA 183 Cb -0.18 -3.11 0.13 0.00 0.00 0.00 0.00 23.12 19.96 1r61 s ALA 183 CO -0.15 -1.93 0.36 0.00 0.00 0.00 0.00 175.76 174.03 1r61 s ALA 184 N 1.54 3.42 0.45 0.00 0.00 -0.09 -4.73 121.76 122.35 1r61 s ALA 184 Ca 0.04 -2.66 -0.21 0.00 0.00 0.00 0.00 51.96 49.13 1r61 s ALA 184 Cb -0.28 -2.79 -0.10 0.00 0.00 0.00 0.00 23.12 19.95 1r61 s ALA 184 CO 0.03 -1.93 0.97 -1.25 0.00 0.00 0.00 175.76 173.58 1r61 s PRO 185 N 1.11 4.11 0.11 0.00 0.04 -1.26 -1.77 135.00 137.34 1r61 s PRO 185 Ca 0.08 1.17 -0.36 0.00 0.04 0.00 0.00 61.00 61.93 1r61 s PRO 185 Cb -0.24 -2.16 -0.17 0.00 0.04 0.00 0.00 34.50 31.98 1r61 s PRO 185 CO -0.02 -0.14 1.27 -0.11 0.04 0.00 0.00 177.00 178.04 1r61 n LEU 186 N -0.77 1.50 -3.55 -3.56 7.94 -0.43 -4.82 117.00 113.31 1r61 n LEU 186 Ca 0.08 1.13 -0.40 0.00 -1.11 0.00 0.00 56.01 55.70 1r61 n LEU 186 Cb 0.54 -1.18 -0.01 0.00 0.53 0.00 0.00 43.42 43.30 1r61 n LEU 186 CO 0.38 -1.18 2.51 1.17 -1.11 0.00 0.00 177.39 179.16 1r61 n LYS 187 N 2.25 4.14 -3.18 1.96 4.81 -1.26 -4.90 118.16 121.97 1r61 n LYS 187 Ca 0.18 -3.20 -0.41 0.00 -0.87 0.00 0.00 58.31 54.01 1r61 n LYS 187 Cb 0.20 -2.76 -0.07 0.00 0.02 0.00 0.00 35.03 32.42 1r61 n LYS 187 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1r61 s LEU 188 N -1.06 4.12 0.28 3.14 2.96 -1.26 -5.02 118.68 121.83 1r61 s LEU 188 Ca 0.53 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.60 1r61 s LEU 188 Cb 0.16 -2.73 -0.10 0.00 0.50 0.00 0.00 46.19 44.03 1r61 s LEU 188 CO -0.07 -0.38 1.37 -0.69 -1.32 0.00 0.00 176.35 175.26 1r61 s VAL 189 N 2.44 2.72 -0.95 1.68 1.01 -1.26 -3.56 120.40 122.48 1r61 s VAL 189 Ca 0.23 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1r61 s VAL 189 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1r61 s VAL 189 CO 0.10 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1r61 n GLY 190 N 1.57 1.03 3.55 4.51 0.00 0.24 -4.97 105.19 111.12 1r61 n GLY 190 Ca 0.04 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1r61 n GLY 190 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r61 s THR 191 N -2.18 3.41 -2.67 2.61 -1.32 -1.23 -4.93 115.64 109.33 1r61 s THR 191 Ca 0.00 -0.83 0.26 0.00 -1.21 0.00 0.00 61.69 59.91 1r61 s THR 191 Cb 0.00 -2.45 0.42 0.00 -1.51 0.00 0.00 72.50 68.96 1r61 s THR 191 CO 0.00 0.42 1.57 -0.90 -2.21 0.00 0.00 174.62 173.49 1r61 n ASP 192 N 1.68 2.05 -4.02 8.08 5.75 -1.26 -4.46 116.55 124.36 1r61 n ASP 192 Ca -0.16 -1.68 -0.11 0.00 -0.01 0.00 0.00 54.79 52.83 1r61 n ASP 192 Cb 0.52 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1r61 n ASP 192 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r61 s ALA 193 N -1.99 0.34 -0.11 2.12 0.00 -1.26 -1.23 121.76 119.63 1r61 s ALA 193 Ca 0.34 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1r61 s ALA 193 Cb 0.21 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.50 1r61 s ALA 193 CO 0.32 -0.09 0.74 0.00 0.00 0.00 0.00 175.76 176.73 1r61 s ALA 194 N -1.43 -1.80 0.65 0.00 0.00 -0.78 -4.88 121.76 113.52 1r61 s ALA 194 Ca -0.13 1.49 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1r61 s ALA 194 Cb -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1r61 s ALA 194 CO -0.00 -0.35 1.13 -2.30 0.00 0.00 0.00 175.76 174.23 1r61 n PRO 195 N 1.23 0.92 -3.89 0.00 -0.02 -1.09 -1.09 135.00 131.06 1r61 n PRO 195 Ca -0.17 0.37 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 1r61 n PRO 195 Cb 0.57 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 1r61 n PRO 195 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r61 s ALA 196 N -1.51 -0.16 -0.27 3.55 0.00 -0.65 -1.32 121.76 121.41 1r61 s ALA 196 Ca 0.79 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 1r61 s ALA 196 Cb -0.38 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1r61 s ALA 196 CO 0.44 -0.40 0.08 0.50 0.00 0.00 0.00 175.76 176.38 1r61 s ARG 197 N -3.10 3.47 -0.13 0.00 6.06 -0.73 -4.62 118.95 119.90 1r61 s ARG 197 Ca -0.01 -0.60 0.01 0.00 -2.50 0.00 0.00 55.73 52.63 1r61 s ARG 197 Cb 0.02 -3.34 -0.00 0.00 0.06 0.00 0.00 34.95 31.68 1r61 s ARG 197 CO -0.07 -0.28 -0.17 0.08 -2.50 0.00 0.00 175.30 172.36 1r61 s VAL 198 N 1.58 2.56 0.02 7.11 1.01 -1.26 -0.92 120.40 130.50 1r61 s VAL 198 Ca 0.05 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1r61 s VAL 198 Cb -0.16 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1r61 s VAL 198 CO 0.03 0.53 -0.18 -0.76 0.00 0.00 0.00 175.10 174.73 1r61 s LEU 199 N 0.59 2.11 -0.14 3.92 1.43 -0.51 -1.43 118.68 124.65 1r61 s LEU 199 Ca -0.10 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1r61 s LEU 199 Cb -0.16 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1r61 s LEU 199 CO 0.03 0.15 -0.22 -0.76 0.23 0.00 0.00 176.35 175.79 1r61 s LEU 200 N -0.85 2.10 -0.12 1.79 1.43 -0.01 -0.67 118.68 122.34 1r61 s LEU 200 Ca 0.06 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1r61 s LEU 200 Cb -0.08 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1r61 s LEU 200 CO 0.01 0.08 0.06 -0.36 0.23 0.00 0.00 176.35 176.37 1r61 s PHE 201 N 0.82 3.33 -1.72 0.29 0.08 0.29 0.39 117.98 121.46 1r61 s PHE 201 Ca -0.07 0.28 0.29 0.00 0.12 0.00 0.00 56.93 57.55 1r61 s PHE 201 Cb -0.15 -1.91 1.37 0.00 -0.57 0.00 0.00 43.02 41.76 1r61 s PHE 201 CO -0.02 0.48 1.94 -0.40 -0.10 0.00 0.00 175.22 177.13 1r61 n ASP 202 N 2.43 0.39 0.00 1.36 5.68 -0.56 -1.15 116.55 124.70 1r61 n ASP 202 Ca -0.19 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 1r61 n ASP 202 Cb 0.54 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1r61 n ASP 202 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73