#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x50 n SER 2 N 0.00 -4.18 -3.81 1.61 7.64 -1.26 -4.97 113.62 108.66 1x50 n SER 2 Ca 0.00 -0.77 -0.11 0.00 1.01 0.00 0.00 58.87 59.00 1x50 n SER 2 Cb 0.00 -3.99 -0.08 0.00 -1.01 0.00 0.00 64.21 59.13 1x50 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x50 s SER 3 N -3.52 -0.02 0.00 6.43 0.15 -1.26 -5.14 113.70 110.33 1x50 s SER 3 Ca 0.53 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1x50 s SER 3 Cb -0.26 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1x50 s SER 3 CO 0.82 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 175.26 1x50 n GLY 4 N 0.53 -0.56 3.48 9.45 0.00 -1.26 -5.17 105.19 111.65 1x50 n GLY 4 Ca -0.18 0.81 -0.11 0.00 0.00 0.00 0.00 46.02 46.53 1x50 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 5 N 0.00 -0.68 -0.25 1.61 0.01 -1.26 -5.14 113.70 107.99 1x50 s SER 5 Ca 0.00 1.20 0.02 0.00 1.31 0.00 0.00 55.95 58.48 1x50 s SER 5 Cb 0.00 1.14 0.06 0.00 0.21 0.00 0.00 66.02 67.44 1x50 s SER 5 CO 0.00 -0.21 -0.07 -0.94 0.41 0.00 0.00 173.24 172.43 1x50 s SER 6 N 0.91 4.16 0.00 2.44 1.04 -1.26 -4.99 113.70 116.00 1x50 s SER 6 Ca -0.05 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1x50 s SER 6 Cb -0.05 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.71 1x50 s SER 6 CO -0.08 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1x50 n GLY 7 N 4.55 -2.05 2.98 7.32 0.00 -1.26 -5.09 105.19 111.63 1x50 n GLY 7 Ca -0.12 1.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.59 1x50 n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x50 s HIS 8 N 0.00 3.62 0.23 1.61 4.02 -1.26 -4.94 115.29 118.57 1x50 s HIS 8 Ca 0.00 -3.20 -0.09 0.00 1.02 0.00 0.00 55.06 52.78 1x50 s HIS 8 Cb 0.00 -2.90 0.35 0.00 -1.02 0.00 0.00 32.58 29.01 1x50 s HIS 8 CO 0.00 -0.64 1.65 0.37 1.02 0.00 0.00 174.74 177.14 1x50 h GLN 9 N 5.77 0.10 -3.72 1.40 4.15 -2.06 -3.40 115.11 117.35 1x50 h GLN 9 Ca 0.12 -0.01 -0.33 0.00 0.77 0.00 0.00 58.65 59.20 1x50 h GLN 9 Cb 0.80 -0.02 -0.33 0.00 0.21 0.00 0.00 27.48 28.13 1x50 h GLN 9 CO 0.75 0.06 -0.74 -0.65 -1.93 0.00 0.00 178.83 176.33 1x50 s GLN 10 N -6.14 0.25 -0.26 1.69 -1.52 -1.26 -5.13 119.66 107.28 1x50 s GLN 10 Ca -0.14 0.07 -0.09 0.00 -1.95 0.00 0.00 55.36 53.25 1x50 s GLN 10 Cb 0.20 -0.42 -0.04 0.00 -0.22 0.00 0.00 33.01 32.53 1x50 s GLN 10 CO 0.74 -0.12 0.13 -0.51 -0.25 0.00 0.00 175.29 175.29 1x50 s LEU 11 N 0.90 3.75 -0.03 2.90 1.43 -1.26 -4.97 118.68 121.40 1x50 s LEU 11 Ca -0.09 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1x50 s LEU 11 Cb -0.12 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1x50 s LEU 11 CO -0.02 -0.04 -0.11 -0.46 0.23 0.00 0.00 176.35 175.95 1x50 n ASN 12 N 4.96 0.91 -3.51 2.29 6.94 -1.26 -5.11 115.26 120.48 1x50 n ASN 12 Ca -0.15 0.14 -0.16 0.00 -0.02 0.00 0.00 54.58 54.40 1x50 n ASN 12 Cb 0.52 -0.45 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 1x50 n ASN 12 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1x50 s SER 13 N -5.30 -0.60 0.77 0.53 1.04 -1.26 -5.16 113.70 103.73 1x50 s SER 13 Ca -0.09 0.51 -0.15 0.00 0.48 0.00 0.00 55.95 56.70 1x50 s SER 13 Cb 0.01 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1x50 s SER 13 CO 0.14 -0.65 0.94 0.00 0.98 0.00 0.00 173.24 174.64 1x50 n LEU 14 N 0.58 3.10 0.00 2.42 -0.00 -1.26 -5.01 117.00 116.83 1x50 n LEU 14 Ca -0.17 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1x50 n LEU 14 Cb 0.59 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 1x50 n LEU 14 CO 0.20 -2.22 0.00 -0.81 -0.00 0.00 0.00 177.39 174.56 1x50 n PRO 15 N -2.18 0.26 -3.12 1.47 -0.04 -1.26 -5.02 135.00 125.11 1x50 n PRO 15 Ca 0.12 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 1x50 n PRO 15 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 1x50 n PRO 15 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 16 N -0.37 4.65 -0.98 0.52 2.01 -1.26 -4.95 115.64 115.25 1x50 s THR 16 Ca 0.00 1.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.84 1x50 s THR 16 Cb 0.00 -3.65 0.13 0.00 0.01 0.00 0.00 72.50 68.99 1x50 s THR 16 CO 0.00 -0.12 1.20 -0.04 -0.69 0.00 0.00 174.62 174.97 1x50 s MET 17 N -2.81 3.69 0.37 4.92 1.00 -1.26 -4.99 119.30 120.21 1x50 s MET 17 Ca 0.52 -1.87 0.08 0.00 0.00 0.00 0.00 55.69 54.42 1x50 s MET 17 Cb -0.11 -4.97 -0.05 0.00 0.00 0.00 0.00 34.83 29.70 1x50 s MET 17 CO 0.18 -1.80 0.15 -1.21 0.00 0.00 0.00 175.02 172.34 1x50 s GLU 18 N 2.61 2.28 2.24 2.03 2.02 -1.26 -5.00 118.70 123.63 1x50 s GLU 18 Ca 0.35 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1x50 s GLU 18 Cb -0.04 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.11 1x50 s GLU 18 CO -0.08 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1x50 n GLY 19 N -1.17 0.28 3.67 -1.39 0.00 -1.26 -4.94 105.19 100.38 1x50 n GLY 19 Ca -0.02 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 1x50 n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x50 s PRO 20 N 0.00 0.35 1.21 1.61 0.04 -1.26 -5.05 135.00 131.89 1x50 s PRO 20 Ca 0.00 0.50 -0.20 0.00 0.04 0.00 0.00 61.00 61.34 1x50 s PRO 20 Cb 0.00 -1.73 0.30 0.00 0.04 0.00 0.00 34.50 33.11 1x50 s PRO 20 CO 0.00 -2.78 1.07 -0.35 0.04 0.00 0.00 177.00 174.98 1x50 n PRO 21 N -4.21 -3.11 -3.06 0.56 -0.04 -1.26 -5.05 135.00 118.83 1x50 n PRO 21 Ca 0.05 -1.72 -0.26 0.00 -0.04 0.00 0.00 63.50 61.53 1x50 n PRO 21 Cb 0.57 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1x50 n PRO 21 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x50 s THR 22 N -2.94 5.00 -0.20 0.52 2.01 -1.13 -5.03 115.64 113.87 1x50 s THR 22 Ca 0.70 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 1x50 s THR 22 Cb -0.07 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.66 1x50 s THR 22 CO 0.53 -0.63 0.51 -0.36 -0.69 0.00 0.00 174.62 173.99 1x50 s PHE 23 N -2.44 -0.61 -1.54 4.92 0.40 -1.26 -3.86 117.98 113.60 1x50 s PHE 23 Ca 0.44 1.42 -0.04 0.00 -0.60 0.00 0.00 56.93 58.15 1x50 s PHE 23 Cb -0.10 0.24 0.04 0.00 0.51 0.00 0.00 43.02 43.71 1x50 s PHE 23 CO 0.38 -0.30 0.32 0.09 0.70 0.00 0.00 175.22 176.40 1x50 n ASN 24 N 3.14 -0.31 -4.77 1.36 4.13 -0.34 -4.87 115.26 113.60 1x50 n ASN 24 Ca -0.15 -1.13 -0.40 0.00 1.68 0.00 0.00 54.58 54.57 1x50 n ASN 24 Cb 0.56 -2.34 -0.03 0.00 -1.54 0.00 0.00 39.78 36.43 1x50 n ASN 24 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x50 s PRO 25 N -6.98 4.46 1.22 3.52 0.04 -1.25 -5.02 135.00 131.00 1x50 s PRO 25 Ca 0.16 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 1x50 s PRO 25 Cb -0.09 -3.11 0.30 0.00 0.04 0.00 0.00 34.50 31.64 1x50 s PRO 25 CO 0.95 -0.04 1.11 -1.25 0.04 0.00 0.00 177.00 177.81 1x50 s PRO 26 N -1.67 -1.39 -0.00 0.56 0.04 -1.26 -4.50 135.00 126.77 1x50 s PRO 26 Ca 0.47 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.39 1x50 s PRO 26 Cb -0.37 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1x50 s PRO 26 CO 0.48 -3.81 -0.00 0.08 0.04 0.00 0.00 177.00 173.78 1x50 s VAL 27 N -3.01 0.06 0.41 -0.36 1.01 -1.26 -2.96 120.40 114.29 1x50 s VAL 27 Ca 0.71 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 1x50 s VAL 27 Cb -0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 36.38 36.13 1x50 s VAL 27 CO 0.56 0.03 1.19 -2.16 0.00 0.00 0.00 175.10 174.72 1x50 s PRO 28 N 0.16 3.99 -0.36 2.72 0.04 -1.26 -5.05 135.00 135.24 1x50 s PRO 28 Ca -0.01 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 1x50 s PRO 28 Cb -0.02 -2.64 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 1x50 s PRO 28 CO -0.00 -0.38 0.45 -0.47 0.04 0.00 0.00 177.00 176.63 1x50 s TYR 29 N -1.42 3.18 -0.49 0.56 6.14 -0.13 -4.90 117.35 120.30 1x50 s TYR 29 Ca 0.58 0.00 -0.17 0.00 0.64 0.00 0.00 57.07 58.13 1x50 s TYR 29 Cb -0.31 -2.84 0.07 0.00 0.42 0.00 0.00 41.96 39.29 1x50 s TYR 29 CO 0.39 -0.54 0.49 -0.06 0.64 0.00 0.00 175.55 176.47 1x50 s PHE 30 N 2.23 3.16 -0.29 4.97 0.08 -1.26 -1.40 117.98 125.47 1x50 s PHE 30 Ca 0.15 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 56.46 1x50 s PHE 30 Cb -0.16 -3.32 0.07 0.00 -0.57 0.00 0.00 43.02 39.05 1x50 s PHE 30 CO 0.13 -0.89 -0.04 0.20 -0.10 0.00 0.00 175.22 174.52 1x50 s GLY 31 N 2.63 1.77 -0.02 4.36 0.00 0.27 -5.00 107.32 111.34 1x50 s GLY 31 Ca 0.09 -2.05 -0.30 0.00 0.00 0.00 0.00 44.72 42.45 1x50 s GLY 31 CO 0.09 0.74 1.07 1.09 0.00 0.00 0.00 173.10 176.09 1x50 s ARG 32 N 1.05 4.47 -0.08 2.90 1.04 -1.26 -0.54 118.95 126.52 1x50 s ARG 32 Ca -0.01 1.53 -0.30 0.00 -1.04 0.00 0.00 55.73 55.91 1x50 s ARG 32 Cb -0.20 -3.47 -0.04 0.00 -2.04 0.00 0.00 34.95 29.20 1x50 s ARG 32 CO -0.06 -0.22 1.40 -0.51 -0.04 0.00 0.00 175.30 175.87 1x50 s LEU 33 N 1.44 4.27 -1.27 -1.89 1.43 0.31 -4.75 118.68 118.23 1x50 s LEU 33 Ca 0.53 1.97 -0.19 0.00 -1.03 0.00 0.00 54.13 55.41 1x50 s LEU 33 Cb -0.23 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1x50 s LEU 33 CO 0.25 -0.77 1.81 0.00 0.23 0.00 0.00 176.35 177.86 1x50 n GLN 34 N 6.24 2.74 0.00 1.70 3.00 -1.26 -3.58 117.38 126.23 1x50 n GLN 34 Ca 0.14 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 1x50 n GLN 34 Cb 0.44 -3.55 0.00 0.00 0.00 0.00 0.00 30.24 27.13 1x50 n GLN 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1x50 n GLY 35 N 5.45 4.10 0.00 1.08 0.00 -1.26 -5.06 105.19 109.51 1x50 n GLY 35 Ca 0.48 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1x50 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x50 n GLY 36 N 0.00 2.26 3.47 -0.02 0.00 -1.23 -4.90 105.19 104.76 1x50 n GLY 36 Ca 0.00 -2.00 -0.46 0.00 0.00 0.00 0.00 46.02 43.56 1x50 n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x50 n LEU 37 N 0.00 1.86 -4.22 0.99 4.77 -0.43 -4.92 117.00 115.05 1x50 n LEU 37 Ca 0.00 0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 1x50 n LEU 37 Cb 0.00 -1.27 -0.15 0.00 -2.33 0.00 0.00 43.42 39.67 1x50 n LEU 37 CO 0.00 -0.89 -0.52 0.42 -1.33 0.00 0.00 177.39 175.06 1x50 s THR 38 N 8.53 1.60 0.58 -5.08 -4.23 -1.26 -4.10 115.64 111.67 1x50 s THR 38 Ca 1.12 -0.94 0.37 0.00 -1.18 0.00 0.00 61.69 61.06 1x50 s THR 38 Cb -0.80 -1.34 0.54 0.00 1.34 0.00 0.00 72.50 72.24 1x50 s THR 38 CO 0.45 0.39 1.55 0.00 -0.54 0.00 0.00 174.62 176.47 1x50 h ALA 39 N 5.45 3.24 -1.01 3.99 0.00 -1.71 0.86 119.26 130.08 1x50 h ALA 39 Ca -0.40 -0.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.79 1x50 h ALA 39 Cb 1.15 0.10 -0.32 0.00 0.00 0.00 0.00 17.79 18.72 1x50 h ALA 39 CO 0.47 -1.84 0.51 0.54 0.00 0.00 0.00 179.25 178.93 1x50 n ARG 40 N -3.70 2.92 -4.56 0.00 5.12 -1.26 -4.54 116.66 110.64 1x50 n ARG 40 Ca 0.30 -3.60 -0.21 0.00 -1.93 0.00 0.00 57.85 52.40 1x50 n ARG 40 Cb 1.56 -2.28 -0.15 0.00 -1.16 0.00 0.00 32.46 30.43 1x50 n ARG 40 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1x50 s ARG 41 N -3.83 1.01 -0.04 5.56 3.52 0.30 -1.66 118.95 123.81 1x50 s ARG 41 Ca 0.58 -0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 55.72 1x50 s ARG 41 Cb 0.47 -0.98 0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1x50 s ARG 41 CO -0.13 0.27 0.05 0.99 -0.81 0.00 0.00 175.30 175.67 1x50 s THR 42 N -0.28 -0.07 -0.07 4.11 2.01 -0.44 -1.23 115.64 119.66 1x50 s THR 42 Ca 0.05 0.38 -0.18 0.00 0.31 0.00 0.00 61.69 62.24 1x50 s THR 42 Cb -0.05 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 1x50 s THR 42 CO -0.00 0.17 0.49 -0.63 -0.69 0.00 0.00 174.62 173.96 1x50 s ILE 43 N 1.98 5.10 -0.17 1.82 1.09 0.21 -2.31 121.20 128.92 1x50 s ILE 43 Ca 0.03 1.00 0.00 0.00 -1.10 0.00 0.00 60.65 60.58 1x50 s ILE 43 Cb -0.12 -3.83 0.03 0.00 -1.06 0.00 0.00 42.46 37.49 1x50 s ILE 43 CO -0.03 0.39 -0.11 -0.63 -0.10 0.00 0.00 174.94 174.46 1x50 s ILE 44 N 0.16 1.53 -0.29 2.92 1.01 -1.18 0.82 121.20 126.16 1x50 s ILE 44 Ca 0.27 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1x50 s ILE 44 Cb -0.16 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.83 1x50 s ILE 44 CO 0.12 0.29 -0.03 -0.63 0.00 0.00 0.00 174.94 174.69 1x50 s ILE 45 N 1.47 2.48 -0.31 2.92 1.01 0.15 -3.07 121.20 125.86 1x50 s ILE 45 Ca 0.02 -1.72 -0.05 0.00 0.00 0.00 0.00 60.65 58.90 1x50 s ILE 45 Cb -0.15 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1x50 s ILE 45 CO -0.09 -0.19 0.05 -0.54 0.00 0.00 0.00 174.94 174.17 1x50 s LYS 46 N 1.11 2.75 0.00 2.79 1.02 -0.40 -1.73 119.74 125.28 1x50 s LYS 46 Ca -0.03 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1x50 s LYS 46 Cb -0.20 -3.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1x50 s LYS 46 CO -0.04 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 1x50 n GLY 47 N 4.77 5.11 3.57 -3.33 0.00 -1.21 -0.82 105.19 113.28 1x50 n GLY 47 Ca -0.14 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 1x50 n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x50 s TYR 48 N 1.15 -0.64 -0.25 1.61 6.14 0.12 -3.30 117.35 122.17 1x50 s TYR 48 Ca 0.00 1.22 -0.29 0.00 0.64 0.00 0.00 57.07 58.64 1x50 s TYR 48 Cb 0.00 0.39 -0.00 0.00 0.42 0.00 0.00 41.96 42.76 1x50 s TYR 48 CO 0.00 -0.32 1.27 0.08 0.64 0.00 0.00 175.55 177.22 1x50 s VAL 49 N 1.76 4.22 0.72 3.14 1.01 -1.21 -1.45 120.40 128.59 1x50 s VAL 49 Ca -0.07 1.42 -0.13 0.00 0.00 0.00 0.00 61.98 63.21 1x50 s VAL 49 Cb -0.05 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1x50 s VAL 49 CO -0.16 -0.35 1.10 -2.16 0.00 0.00 0.00 175.10 173.53 1x50 s PRO 50 N 3.89 2.53 0.38 2.72 0.04 -1.26 -1.30 135.00 142.01 1x50 s PRO 50 Ca 0.55 1.28 0.28 0.00 0.04 0.00 0.00 61.00 63.14 1x50 s PRO 50 Cb -0.18 -1.92 1.16 0.00 0.04 0.00 0.00 34.50 33.60 1x50 s PRO 50 CO 0.19 -1.44 1.83 -1.00 0.04 0.00 0.00 177.00 176.62 1x50 h PRO 51 N -0.55 0.00 -0.27 0.56 0.13 -1.94 -2.62 132.00 127.31 1x50 h PRO 51 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1x50 h PRO 51 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x50 h PRO 51 CO 0.53 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 1x50 n THR 52 N -2.59 2.26 -3.87 1.56 -2.24 -1.26 -4.94 114.28 103.20 1x50 n THR 52 Ca 0.01 -1.86 -0.36 0.00 -2.27 0.00 0.00 64.05 59.58 1x50 n THR 52 Cb 0.26 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.11 1x50 n THR 52 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x50 s GLY 53 N -1.90 1.68 0.06 3.38 0.00 -0.99 -5.01 107.32 104.54 1x50 s GLY 53 Ca 0.42 -1.37 -0.35 0.00 0.00 0.00 0.00 44.72 43.42 1x50 s GLY 53 CO 0.09 0.54 1.53 0.50 0.00 0.00 0.00 173.10 175.76 1x50 h LYS 54 N 8.12 -1.19 -1.52 2.90 1.57 -1.87 -3.45 116.57 121.14 1x50 h LYS 54 Ca -0.35 0.08 0.22 0.00 -1.87 0.00 0.00 60.65 58.73 1x50 h LYS 54 Cb 1.13 0.27 -0.20 0.00 0.08 0.00 0.00 32.23 33.51 1x50 h LYS 54 CO 0.59 -0.79 0.76 -1.54 -0.57 0.00 0.00 179.45 177.91 1x50 s SER 55 N -3.92 -0.18 0.18 0.86 1.04 -1.26 -4.29 113.70 106.14 1x50 s SER 55 Ca -0.18 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1x50 s SER 55 Cb 0.02 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.33 1x50 s SER 55 CO 0.56 -0.26 0.10 2.22 0.98 0.00 0.00 173.24 176.84 1x50 n PHE 56 N 0.08 -0.79 -3.66 5.02 -1.74 -1.25 -1.73 117.46 113.39 1x50 n PHE 56 Ca -0.02 -0.78 -0.15 0.00 -0.56 0.00 0.00 57.45 55.94 1x50 n PHE 56 Cb 0.59 -0.14 -0.08 0.00 1.52 0.00 0.00 39.48 41.37 1x50 n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1x50 s ALA 57 N -2.27 -1.33 -0.33 1.98 0.00 -0.10 -3.76 121.76 115.95 1x50 s ALA 57 Ca 0.07 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1x50 s ALA 57 Cb -0.01 -0.38 0.10 0.00 0.00 0.00 0.00 23.12 22.83 1x50 s ALA 57 CO 0.05 -0.29 0.07 0.42 0.00 0.00 0.00 175.76 176.01 1x50 s ILE 58 N -0.56 1.63 -0.03 0.00 1.09 0.75 -2.37 121.20 121.72 1x50 s ILE 58 Ca -0.07 -1.91 -0.02 0.00 -1.10 0.00 0.00 60.65 57.55 1x50 s ILE 58 Cb -0.03 -2.22 -0.04 0.00 -1.06 0.00 0.00 42.46 39.11 1x50 s ILE 58 CO 0.04 -0.64 0.13 0.20 -0.10 0.00 0.00 174.94 174.58 1x50 s ASN 59 N 1.23 6.07 -0.36 3.58 0.01 -1.02 -1.86 114.94 122.59 1x50 s ASN 59 Ca 0.10 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.56 1x50 s ASN 59 Cb -0.18 -1.85 0.10 0.00 0.41 0.00 0.00 41.25 39.73 1x50 s ASN 59 CO -0.16 0.29 0.10 -0.36 -1.51 0.00 0.00 177.10 175.46 1x50 s PHE 60 N -1.22 3.71 0.47 2.20 0.40 0.28 -1.79 117.98 122.04 1x50 s PHE 60 Ca 0.23 -2.83 0.03 0.00 -0.60 0.00 0.00 56.93 53.76 1x50 s PHE 60 Cb -0.12 -3.02 0.01 0.00 0.51 0.00 0.00 43.02 40.40 1x50 s PHE 60 CO 0.14 -0.96 0.67 0.21 0.70 0.00 0.00 175.22 175.98 1x50 s LYS 61 N 0.97 2.79 -0.26 0.44 2.20 0.24 -1.39 119.74 124.73 1x50 s LYS 61 Ca 0.10 -0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 1x50 s LYS 61 Cb -0.20 -2.61 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1x50 s LYS 61 CO -0.07 -0.42 0.18 0.08 -0.36 0.00 0.00 175.35 174.77 1x50 s VAL 62 N -2.55 5.33 0.41 4.02 1.01 -0.84 -0.17 120.40 127.61 1x50 s VAL 62 Ca 0.53 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1x50 s VAL 62 Cb -0.10 -3.52 0.29 0.00 0.00 0.00 0.00 36.38 33.05 1x50 s VAL 62 CO 0.36 0.30 2.01 1.23 0.00 0.00 0.00 175.10 179.00 1x50 h GLY 63 N 7.90 0.63 0.00 4.51 0.00 -1.78 -0.96 103.07 113.37 1x50 h GLY 63 Ca -0.37 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1x50 h GLY 63 CO 0.61 0.17 0.00 1.44 0.00 0.00 0.00 176.54 178.76 1x50 n SER 64 N -4.47 0.00 0.00 0.19 7.64 -1.26 -4.71 113.62 111.01 1x50 n SER 64 Ca 0.07 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1x50 n SER 64 Cb 0.20 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1x50 n SER 64 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x50 n SER 65 N -1.21 0.00 0.00 6.43 2.88 -1.23 -5.04 113.62 115.44 1x50 n SER 65 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1x50 n SER 65 Cb 0.00 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1x50 n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 66 N 1.74 0.54 3.50 0.46 0.00 -0.37 -4.95 105.19 106.11 1x50 n GLY 66 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1x50 n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 67 N -0.71 4.14 -0.27 1.61 1.01 -1.26 -4.68 116.67 116.51 1x50 s ASP 67 Ca 0.00 -0.23 -0.23 0.00 0.71 0.00 0.00 52.55 52.80 1x50 s ASP 67 Cb 0.00 -0.86 -0.01 0.00 1.01 0.00 0.00 42.92 43.06 1x50 s ASP 67 CO 0.00 0.31 0.75 -0.63 0.21 0.00 0.00 175.17 175.82 1x50 s ILE 68 N -0.84 4.86 -0.07 0.77 1.01 0.10 -1.99 121.20 125.05 1x50 s ILE 68 Ca 0.13 1.27 0.13 0.00 0.00 0.00 0.00 60.65 62.19 1x50 s ILE 68 Cb -0.11 -4.08 -0.23 0.00 0.01 0.00 0.00 42.46 38.05 1x50 s ILE 68 CO 0.03 -0.12 0.55 0.00 0.00 0.00 0.00 174.94 175.41 1x50 n ALA 69 N 6.00 1.49 -3.75 9.38 0.00 -0.49 -1.64 120.51 131.51 1x50 n ALA 69 Ca 0.03 -0.87 -0.14 0.00 0.00 0.00 0.00 53.44 52.46 1x50 n ALA 69 Cb 0.48 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 1x50 n ALA 69 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x50 s LEU 70 N -5.99 0.82 -0.37 0.00 2.96 -1.25 -4.52 118.68 110.32 1x50 s LEU 70 Ca -0.06 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1x50 s LEU 70 Cb 0.08 0.20 0.13 0.00 0.50 0.00 0.00 46.19 47.09 1x50 s LEU 70 CO 0.83 -0.15 0.19 -2.28 -1.32 0.00 0.00 176.35 173.62 1x50 s HIS 71 N 1.18 1.31 -0.14 5.38 5.65 0.65 -0.55 115.29 128.77 1x50 s HIS 71 Ca -0.09 -1.85 -0.15 0.00 0.25 0.00 0.00 55.06 53.22 1x50 s HIS 71 Cb -0.12 -1.41 -0.05 0.00 -1.18 0.00 0.00 32.58 29.83 1x50 s HIS 71 CO -0.05 -0.82 0.35 0.42 -0.65 0.00 0.00 174.74 173.99 1x50 s ILE 72 N 1.02 5.26 -0.25 0.89 1.01 -0.78 -0.50 121.20 127.86 1x50 s ILE 72 Ca 0.15 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 1x50 s ILE 72 Cb -0.22 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 38.65 1x50 s ILE 72 CO -0.08 0.39 0.08 0.21 0.00 0.00 0.00 174.94 175.54 1x50 s ASN 73 N 0.39 3.29 0.67 3.58 3.04 -0.11 -0.18 114.94 125.62 1x50 s ASN 73 Ca 0.20 -1.13 -0.14 0.00 0.04 0.00 0.00 52.86 51.82 1x50 s ASN 73 Cb -0.14 -0.55 0.01 0.00 -1.54 0.00 0.00 41.25 39.03 1x50 s ASN 73 CO 0.06 -0.38 1.11 -2.16 -3.04 0.00 0.00 177.10 172.70 1x50 s PRO 74 N 1.90 2.73 -0.29 0.43 0.04 -1.25 -1.96 135.00 136.60 1x50 s PRO 74 Ca 0.05 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1x50 s PRO 74 Cb -0.17 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1x50 s PRO 74 CO -0.20 -1.30 0.07 1.03 0.04 0.00 0.00 177.00 176.64 1x50 s ARG 75 N -4.20 0.84 0.65 4.56 0.52 -1.15 -4.48 118.95 115.68 1x50 s ARG 75 Ca 0.66 -1.06 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 1x50 s ARG 75 Cb -0.20 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 1x50 s ARG 75 CO 0.43 -0.91 1.28 -1.33 0.02 0.00 0.00 175.30 174.79 1x50 n MET 76 N 4.81 1.10 0.00 3.54 2.81 -1.26 -2.36 117.12 125.76 1x50 n MET 76 Ca -0.03 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1x50 n MET 76 Cb 0.43 -2.51 0.00 0.00 -0.71 0.00 0.00 33.22 30.42 1x50 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x50 n GLY 77 N 0.94 1.73 0.34 3.03 0.00 -1.26 -4.48 105.19 105.49 1x50 n GLY 77 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1x50 n GLY 77 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1x50 h ASN 78 N 0.00 -1.11 -0.24 1.61 -1.24 -2.01 -3.47 115.58 109.12 1x50 h ASN 78 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1x50 h ASN 78 Cb 0.00 0.53 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1x50 h ASN 78 CO 0.00 -0.31 0.00 0.61 -1.29 0.00 0.00 177.43 176.44 1x50 n GLY 79 N -1.42 0.61 2.80 1.57 0.00 -0.99 -5.10 105.19 102.65 1x50 n GLY 79 Ca 0.02 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1x50 n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x50 s THR 80 N -1.47 -0.25 -0.34 2.61 -4.23 -1.24 -4.84 115.64 105.89 1x50 s THR 80 Ca 0.00 0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.65 1x50 s THR 80 Cb 0.00 -0.35 -0.01 0.00 1.34 0.00 0.00 72.50 73.48 1x50 s THR 80 CO 0.00 0.07 0.22 -0.69 -0.54 0.00 0.00 174.62 173.68 1x50 s VAL 81 N 2.28 5.05 0.26 2.29 1.01 -1.26 -2.94 120.40 127.08 1x50 s VAL 81 Ca 0.04 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1x50 s VAL 81 Cb -0.13 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1x50 s VAL 81 CO -0.07 -0.03 0.81 -0.69 0.00 0.00 0.00 175.10 175.12 1x50 s VAL 82 N 1.68 4.43 -0.11 2.92 1.01 -0.83 -4.36 120.40 125.14 1x50 s VAL 82 Ca 0.05 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.55 1x50 s VAL 82 Cb -0.18 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1x50 s VAL 82 CO 0.09 0.20 -0.14 -0.13 0.00 0.00 0.00 175.10 175.13 1x50 s ARG 83 N -1.95 2.06 0.34 2.72 3.00 -0.22 -0.94 118.95 123.95 1x50 s ARG 83 Ca 0.45 -0.50 0.04 0.00 0.00 0.00 0.00 55.73 55.73 1x50 s ARG 83 Cb -0.18 -1.79 -0.03 0.00 0.00 0.00 0.00 34.95 32.95 1x50 s ARG 83 CO 0.22 -0.09 0.18 -0.80 0.00 0.00 0.00 175.30 174.81 1x50 s ASN 84 N 1.08 1.88 -0.29 0.23 -0.87 0.35 -1.50 114.94 115.83 1x50 s ASN 84 Ca -0.05 -1.63 0.02 0.00 -1.57 0.00 0.00 52.86 49.63 1x50 s ASN 84 Cb -0.15 0.45 0.18 0.00 -0.02 0.00 0.00 41.25 41.72 1x50 s ASN 84 CO -0.02 -0.93 0.54 -0.55 -2.57 0.00 0.00 177.10 173.56 1x50 s SER 85 N -3.43 -1.01 -0.25 -1.22 0.15 -1.26 0.24 113.70 106.92 1x50 s SER 85 Ca 0.34 0.37 -0.29 0.00 0.70 0.00 0.00 55.95 57.06 1x50 s SER 85 Cb 0.04 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.18 1x50 s SER 85 CO 0.19 -0.29 1.20 -0.22 1.20 0.00 0.00 173.24 175.32 1x50 s LEU 86 N 2.76 4.02 0.37 3.45 2.96 -0.65 -0.58 118.68 131.02 1x50 s LEU 86 Ca 0.14 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.44 1x50 s LEU 86 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1x50 s LEU 86 CO -0.23 -0.87 0.56 -0.76 -1.32 0.00 0.00 176.35 173.72 1x50 s LEU 87 N 3.76 3.91 -0.86 -0.68 1.43 0.68 0.03 118.68 126.94 1x50 s LEU 87 Ca 0.52 0.25 -0.33 0.00 -1.03 0.00 0.00 54.13 53.53 1x50 s LEU 87 Cb -0.17 -3.12 -0.21 0.00 0.03 0.00 0.00 46.19 42.72 1x50 s LEU 87 CO 0.16 -0.43 2.56 0.59 0.23 0.00 0.00 176.35 179.46 1x50 n ASN 88 N -1.82 0.51 0.00 2.29 3.02 -1.26 0.20 115.26 118.19 1x50 n ASN 88 Ca -0.02 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1x50 n ASN 88 Cb 0.57 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1x50 n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x50 n GLY 89 N 6.68 0.26 3.52 7.41 0.00 -1.26 -4.91 105.19 116.90 1x50 n GLY 89 Ca 0.62 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.40 1x50 n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x50 s SER 90 N -2.23 2.93 0.19 1.61 0.15 0.53 -5.17 113.70 111.70 1x50 s SER 90 Ca 0.00 -1.43 0.06 0.00 0.70 0.00 0.00 55.95 55.28 1x50 s SER 90 Cb 0.00 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.22 1x50 s SER 90 CO 0.00 -0.63 -0.11 0.26 1.20 0.00 0.00 173.24 173.96 1x50 s TRP 91 N -3.11 1.53 0.00 3.44 0.52 -1.26 0.25 118.94 120.30 1x50 s TRP 91 Ca 0.32 -0.68 0.00 0.00 0.02 0.00 0.00 56.10 55.76 1x50 s TRP 91 Cb 0.08 -0.75 0.00 0.00 -1.15 0.00 0.00 33.47 31.64 1x50 s TRP 91 CO 0.15 0.21 0.00 0.41 0.02 0.00 0.00 176.95 177.74 1x50 n GLY 92 N -0.32 0.69 3.58 0.98 0.00 0.26 -4.72 105.19 105.66 1x50 n GLY 92 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1x50 n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x50 s SER 93 N -1.00 0.24 -0.24 1.61 0.01 -1.26 -4.95 113.70 108.11 1x50 s SER 93 Ca 0.00 -1.14 -0.09 0.00 1.31 0.00 0.00 55.95 56.04 1x50 s SER 93 Cb 0.00 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 1x50 s SER 93 CO 0.00 -1.25 0.12 -1.61 0.41 0.00 0.00 173.24 170.91 1x50 s GLU 94 N -3.52 3.91 -0.12 12.44 2.02 -1.26 -3.96 118.70 128.21 1x50 s GLU 94 Ca 0.24 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.90 1x50 s GLU 94 Cb -0.01 -3.42 0.01 0.00 0.10 0.00 0.00 34.13 30.81 1x50 s GLU 94 CO 0.13 0.00 -0.18 -1.21 0.02 0.00 0.00 175.26 174.02 1x50 s GLU 95 N 1.17 2.55 -0.12 1.61 0.41 -0.56 -4.91 118.70 118.85 1x50 s GLU 95 Ca 0.06 -0.69 -0.00 0.00 -0.41 0.00 0.00 54.97 53.93 1x50 s GLU 95 Cb -0.14 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.14 1x50 s GLU 95 CO 0.05 -0.02 -0.07 0.15 -0.49 0.00 0.00 175.26 174.87 1x50 s LYS 96 N 0.86 1.50 -0.30 1.61 1.02 -1.26 -1.06 119.74 122.10 1x50 s LYS 96 Ca -0.08 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 1x50 s LYS 96 Cb -0.15 -1.67 0.18 0.00 -0.52 0.00 0.00 37.83 35.67 1x50 s LYS 96 CO -0.01 -0.30 0.94 0.21 -0.92 0.00 0.00 175.35 175.27 1x50 s LYS 97 N 1.70 0.27 0.01 1.68 2.47 -1.26 -5.06 119.74 119.55 1x50 s LYS 97 Ca 0.04 0.40 -0.06 0.00 -1.56 0.00 0.00 55.97 54.79 1x50 s LYS 97 Cb -0.13 0.21 -0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1x50 s LYS 97 CO -0.08 -0.36 0.12 -1.50 0.16 0.00 0.00 175.35 173.69 1x50 s ILE 98 N 2.93 0.09 -0.15 5.43 2.07 -1.26 -4.75 121.20 125.56 1x50 s ILE 98 Ca 0.10 -0.76 -0.18 0.00 -1.41 0.00 0.00 60.65 58.41 1x50 s ILE 98 Cb -0.09 -0.47 -0.24 0.00 0.13 0.00 0.00 42.46 41.79 1x50 s ILE 98 CO -0.17 -0.42 0.43 0.00 -1.91 0.00 0.00 174.94 172.88 1x50 h THR 99 N 4.23 1.02 -2.90 4.00 1.03 -1.87 -3.47 112.91 114.94 1x50 h THR 99 Ca -0.31 -2.31 -0.19 0.00 -0.01 0.00 0.00 66.41 63.59 1x50 h THR 99 Cb 1.19 2.58 -0.30 0.00 -1.07 0.00 0.00 68.15 70.55 1x50 h THR 99 CO 0.42 0.58 -0.48 -1.38 -0.01 0.00 0.00 175.52 174.65 1x50 s HIS 100 N -2.42 -0.41 -0.54 0.00 -3.43 -1.26 -5.12 115.29 102.11 1x50 s HIS 100 Ca -0.23 0.94 -0.16 0.00 -0.80 0.00 0.00 55.06 54.80 1x50 s HIS 100 Cb 0.04 0.05 0.12 0.00 -1.43 0.00 0.00 32.58 31.36 1x50 s HIS 100 CO 0.70 -0.30 0.51 1.21 -2.00 0.00 0.00 174.74 174.86 1x50 s ASN 101 N 1.77 6.18 0.21 7.38 3.84 -1.26 -4.92 114.94 128.14 1x50 s ASN 101 Ca -0.05 -1.69 -0.03 0.00 0.21 0.00 0.00 52.86 51.31 1x50 s ASN 101 Cb -0.11 -2.22 0.17 0.00 -0.55 0.00 0.00 41.25 38.54 1x50 s ASN 101 CO -0.09 -0.86 1.57 1.55 -2.79 0.00 0.00 177.10 176.48 1x50 h PRO 102 N 8.90 0.61 -5.97 0.43 0.13 -1.99 -3.44 132.00 130.67 1x50 h PRO 102 Ca -0.30 -0.32 -0.75 0.00 -0.87 0.00 0.00 66.00 63.76 1x50 h PRO 102 Cb 1.10 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1x50 h PRO 102 CO 1.02 0.92 1.35 1.19 -0.23 0.00 0.00 178.00 182.25 1x50 n PHE 103 N -4.02 1.20 -4.00 1.56 3.72 -1.26 -4.90 117.46 109.75 1x50 n PHE 103 Ca -0.02 0.69 -0.14 0.00 -0.05 0.00 0.00 57.45 57.93 1x50 n PHE 103 Cb 0.53 -2.33 -0.14 0.00 -0.94 0.00 0.00 39.48 36.60 1x50 n PHE 103 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x50 s GLY 104 N 6.27 0.14 -0.53 1.37 0.00 -1.26 -4.69 107.32 108.62 1x50 s GLY 104 Ca 1.19 -0.07 -0.27 0.00 0.00 0.00 0.00 44.72 45.57 1x50 s GLY 104 CO 0.63 0.00 1.81 2.56 0.00 0.00 0.00 173.10 178.11 1x50 s PRO 105 N 0.09 2.86 0.00 2.90 0.04 -1.26 -2.31 135.00 137.33 1x50 s PRO 105 Ca -0.01 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1x50 s PRO 105 Cb -0.03 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1x50 s PRO 105 CO -0.00 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1x50 n GLY 106 N 5.59 0.98 3.00 0.56 0.00 -0.42 -4.72 105.19 110.18 1x50 n GLY 106 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1x50 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x50 s GLN 107 N 0.00 0.41 1.06 1.61 -2.07 -0.98 -4.99 119.66 114.69 1x50 s GLN 107 Ca 0.00 -0.49 -0.15 0.00 -1.82 0.00 0.00 55.36 52.90 1x50 s GLN 107 Cb 0.00 -0.23 0.22 0.00 -1.09 0.00 0.00 33.01 31.91 1x50 s GLN 107 CO 0.00 0.05 1.11 -0.59 -1.32 0.00 0.00 175.29 174.54 1x50 s PHE 108 N -0.88 1.62 -0.27 9.60 -0.12 -1.26 -3.36 117.98 123.30 1x50 s PHE 108 Ca -0.06 0.77 -0.23 0.00 -0.05 0.00 0.00 56.93 57.36 1x50 s PHE 108 Cb -0.07 -3.38 0.07 0.00 -0.63 0.00 0.00 43.02 39.02 1x50 s PHE 108 CO -0.00 -3.16 0.72 -0.59 -0.05 0.00 0.00 175.22 172.15 1x50 s PHE 109 N -3.06 -0.85 -0.39 3.49 -0.71 -1.21 -4.83 117.98 110.43 1x50 s PHE 109 Ca 0.67 1.96 -0.09 0.00 -1.04 0.00 0.00 56.93 58.43 1x50 s PHE 109 Cb -0.15 0.36 0.05 0.00 -1.21 0.00 0.00 43.02 42.08 1x50 s PHE 109 CO 0.56 -0.41 0.21 0.34 -1.34 0.00 0.00 175.22 174.58 1x50 s ASP 110 N 0.69 5.60 -0.10 1.98 2.15 -1.26 -3.34 116.67 122.38 1x50 s ASP 110 Ca -0.02 -1.25 -0.01 0.00 0.43 0.00 0.00 52.55 51.69 1x50 s ASP 110 Cb -0.05 -1.97 -0.03 0.00 -0.30 0.00 0.00 42.92 40.57 1x50 s ASP 110 CO -0.04 -0.44 -0.04 -0.22 -0.17 0.00 0.00 175.17 174.26 1x50 s LEU 111 N 1.46 3.30 -0.17 -1.34 1.98 -0.70 -1.94 118.68 121.27 1x50 s LEU 111 Ca 0.02 -0.01 -0.04 0.00 -2.89 0.00 0.00 54.13 51.21 1x50 s LEU 111 Cb -0.21 -1.75 0.08 0.00 0.66 0.00 0.00 46.19 44.97 1x50 s LEU 111 CO 0.04 0.31 0.22 -0.44 -1.89 0.00 0.00 176.35 174.58 1x50 s SER 112 N -0.48 1.10 -0.04 3.68 0.01 -0.67 0.30 113.70 117.59 1x50 s SER 112 Ca 0.08 0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.21 1x50 s SER 112 Cb -0.12 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 1x50 s SER 112 CO 0.02 -0.30 0.38 -0.63 0.41 0.00 0.00 173.24 173.13 1x50 s ILE 113 N 2.33 5.12 -0.12 1.44 1.09 0.24 -0.53 121.20 130.77 1x50 s ILE 113 Ca 0.05 0.78 -0.02 0.00 -1.10 0.00 0.00 60.65 60.36 1x50 s ILE 113 Cb -0.14 -3.69 -0.03 0.00 -1.06 0.00 0.00 42.46 37.53 1x50 s ILE 113 CO -0.10 0.52 -0.05 -0.13 -0.10 0.00 0.00 174.94 175.08 1x50 s ARG 114 N -0.65 3.31 -0.33 2.79 0.52 -0.33 0.66 118.95 124.92 1x50 s ARG 114 Ca 0.23 -0.53 -0.12 0.00 -0.52 0.00 0.00 55.73 54.79 1x50 s ARG 114 Cb -0.16 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 1x50 s ARG 114 CO 0.11 0.41 0.21 0.00 0.02 0.00 0.00 175.30 176.06 1x50 n GLY 116 N 5.07 3.70 0.01 0.00 0.00 -1.19 -4.10 105.19 108.68 1x50 n GLY 116 Ca -0.13 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 1x50 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x50 n LEU 117 N 0.00 1.44 -0.10 0.99 4.77 -1.26 -3.97 117.00 118.87 1x50 n LEU 117 Ca 0.00 -0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1x50 n LEU 117 Cb 0.00 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 1x50 n LEU 117 CO 0.00 0.27 -1.03 0.47 -1.33 0.00 0.00 177.39 175.77 1x50 n ASP 118 N -2.29 1.97 -2.87 -1.43 9.92 -1.26 -5.01 116.55 115.58 1x50 n ASP 118 Ca -0.03 0.24 -0.11 0.00 -0.53 0.00 0.00 54.79 54.35 1x50 n ASP 118 Cb 0.54 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 1x50 n ASP 118 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x50 n ARG 119 N -3.94 0.94 -4.04 -1.24 1.74 -1.26 -3.44 116.66 105.42 1x50 n ARG 119 Ca -0.42 -2.47 -0.24 0.00 -0.77 0.00 0.00 57.85 53.95 1x50 n ARG 119 Cb 0.89 2.73 -0.04 0.00 -1.02 0.00 0.00 32.46 35.02 1x50 n ARG 119 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1x50 s PHE 120 N -2.55 3.27 -0.32 -1.55 0.40 -0.70 -3.17 117.98 113.36 1x50 s PHE 120 Ca 0.22 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1x50 s PHE 120 Cb -0.03 -1.52 0.10 0.00 0.51 0.00 0.00 43.02 42.08 1x50 s PHE 120 CO 0.16 0.50 0.09 0.15 0.70 0.00 0.00 175.22 176.82 1x50 s LYS 121 N -3.55 0.87 -0.11 0.44 1.02 -0.78 -2.74 119.74 114.90 1x50 s LYS 121 Ca 0.33 -1.23 -0.21 0.00 0.02 0.00 0.00 55.97 54.88 1x50 s LYS 121 Cb -0.09 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1x50 s LYS 121 CO 0.26 -0.98 0.60 0.08 -0.92 0.00 0.00 175.35 174.39 1x50 s VAL 122 N 1.47 5.10 0.13 3.17 1.01 -0.89 -1.18 120.40 129.22 1x50 s VAL 122 Ca 0.10 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.36 1x50 s VAL 122 Cb -0.18 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1x50 s VAL 122 CO -0.22 0.26 -0.14 -0.31 0.00 0.00 0.00 175.10 174.69 1x50 s TYR 123 N 0.91 2.60 -0.22 5.22 1.51 0.31 -1.22 117.35 126.46 1x50 s TYR 123 Ca 0.31 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.11 1x50 s TYR 123 Cb -0.16 -1.35 0.07 0.00 -0.11 0.00 0.00 41.96 40.41 1x50 s TYR 123 CO 0.14 0.43 0.07 0.00 -1.11 0.00 0.00 175.55 175.08 1x50 s ALA 124 N -1.32 0.89 -1.45 3.71 0.00 0.26 -1.67 121.76 122.18 1x50 s ALA 124 Ca 0.21 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1x50 s ALA 124 Cb -0.10 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1x50 s ALA 124 CO 0.12 -1.33 0.50 0.09 0.00 0.00 0.00 175.76 175.14 1x50 n ASN 125 N 5.11 -5.20 -0.07 0.00 3.02 -0.82 -1.41 115.26 115.90 1x50 n ASN 125 Ca -0.07 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1x50 n ASN 125 Cb 0.46 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 1x50 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x50 n GLY 126 N -1.34 0.50 2.75 7.41 0.00 -1.26 -5.06 105.19 108.19 1x50 n GLY 126 Ca -0.09 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 1x50 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x50 s GLN 127 N -4.02 0.19 -0.56 1.61 -1.52 -0.50 -5.08 119.66 109.78 1x50 s GLN 127 Ca 0.00 0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 53.34 1x50 s GLN 127 Cb 0.00 -0.58 -0.10 0.00 -0.22 0.00 0.00 33.01 32.10 1x50 s GLN 127 CO 0.00 -0.25 2.44 1.58 -0.25 0.00 0.00 175.29 178.81 1x50 n HIS 128 N 4.82 1.31 0.01 0.91 -0.00 -1.26 -0.58 115.22 120.44 1x50 n HIS 128 Ca -0.13 0.16 -0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1x50 n HIS 128 Cb 0.50 -2.59 -0.00 0.00 -0.00 0.00 0.00 29.99 27.90 1x50 n HIS 128 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1x50 h LEU 129 N 17.36 -0.02 -7.73 0.27 5.85 -1.48 -3.45 115.31 126.10 1x50 h LEU 129 Ca -0.22 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.66 1x50 h LEU 129 Cb 1.28 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1x50 h LEU 129 CO 1.18 -0.01 0.43 0.72 -0.34 0.00 0.00 178.44 180.42 1x50 s PHE 130 N -2.08 -0.15 0.26 1.25 -0.12 -1.21 -3.82 117.98 112.11 1x50 s PHE 130 Ca -0.00 -0.19 0.09 0.00 -0.05 0.00 0.00 56.93 56.77 1x50 s PHE 130 Cb 0.00 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1x50 s PHE 130 CO 0.01 -0.92 0.05 -0.51 -0.05 0.00 0.00 175.22 173.80 1x50 s ASP 131 N -2.93 4.79 -0.27 1.98 1.01 -1.26 -2.09 116.67 117.89 1x50 s ASP 131 Ca 0.12 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.83 1x50 s ASP 131 Cb -0.02 -0.98 0.08 0.00 1.01 0.00 0.00 42.92 43.00 1x50 s ASP 131 CO 0.03 -0.01 0.05 0.12 0.21 0.00 0.00 175.17 175.57 1x50 s PHE 132 N -2.27 1.82 0.27 4.23 5.36 -1.11 -4.95 117.98 121.34 1x50 s PHE 132 Ca 0.32 -1.62 -0.30 0.00 -0.96 0.00 0.00 56.93 54.37 1x50 s PHE 132 Cb -0.07 -1.61 -0.11 0.00 -0.34 0.00 0.00 43.02 40.90 1x50 s PHE 132 CO 0.21 -0.80 1.53 0.00 -1.46 0.00 0.00 175.22 174.71 1x50 s ALA 133 N 1.58 3.70 -0.39 11.12 0.00 -1.26 -1.73 121.76 134.78 1x50 s ALA 133 Ca 0.04 1.47 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 1x50 s ALA 133 Cb -0.18 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 1x50 s ALA 133 CO -0.16 -0.88 2.34 0.72 0.00 0.00 0.00 175.76 177.77 1x50 n HIS 134 N 2.29 1.62 -0.07 0.00 -0.00 -1.22 -4.82 115.22 113.01 1x50 n HIS 134 Ca 0.08 0.04 -0.12 0.00 -0.00 0.00 0.00 57.72 57.72 1x50 n HIS 134 Cb 0.38 -2.66 -0.08 0.00 -0.00 0.00 0.00 29.99 27.63 1x50 n HIS 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x50 h ARG 135 N 17.17 0.00 -5.32 -0.41 3.08 -1.89 -3.43 114.38 123.58 1x50 h ARG 135 Ca -0.30 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.09 1x50 h ARG 135 Cb 1.26 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.15 1x50 h ARG 135 CO 1.08 0.63 0.16 -1.17 -1.07 0.00 0.00 179.97 179.61 1x50 s LEU 136 N -8.21 4.61 0.42 3.04 2.96 -1.26 -4.92 118.68 115.32 1x50 s LEU 136 Ca -0.17 -0.55 0.24 0.00 -0.22 0.00 0.00 54.13 53.44 1x50 s LEU 136 Cb 0.01 -2.64 1.26 0.00 0.50 0.00 0.00 46.19 45.31 1x50 s LEU 136 CO 0.44 -0.89 1.70 -1.28 -1.32 0.00 0.00 176.35 175.01 1x50 h SER 137 N 8.98 0.34 -0.14 3.68 0.87 -2.00 0.85 113.55 126.14 1x50 h SER 137 Ca -0.26 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1x50 h SER 137 Cb 1.09 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.08 1x50 h SER 137 CO 0.95 -0.04 0.09 0.00 -0.53 0.00 0.00 176.83 177.29 1x50 n ALA 138 N -2.50 2.92 -0.26 6.23 0.00 -1.26 -4.43 120.51 121.22 1x50 n ALA 138 Ca 0.31 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1x50 n ALA 138 Cb 1.14 -1.06 0.19 0.00 0.00 0.00 0.00 19.45 19.72 1x50 n ALA 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1x50 h PHE 139 N 0.14 0.25 -0.95 0.00 -0.00 0.35 0.12 116.94 116.84 1x50 h PHE 139 Ca 0.09 0.05 0.24 0.00 -0.00 0.00 0.00 57.97 58.34 1x50 h PHE 139 Cb 1.25 0.01 -0.13 0.00 -0.00 0.00 0.00 35.95 37.09 1x50 h PHE 139 CO 0.22 -0.12 0.49 -0.56 -0.00 0.00 0.00 178.31 178.34 1x50 h GLN 140 N 0.24 0.45 -0.89 6.09 3.07 -1.78 0.25 115.11 122.55 1x50 h GLN 140 Ca 0.43 -0.03 0.12 0.00 0.09 0.00 0.00 58.65 59.26 1x50 h GLN 140 Cb 0.76 -0.10 -0.08 0.00 0.08 0.00 0.00 27.48 28.13 1x50 h GLN 140 CO -0.54 0.30 0.52 0.00 0.09 0.00 0.00 178.83 179.19 1x50 h ARG 141 N 0.46 0.79 -5.49 0.06 3.08 -1.04 -2.79 114.38 109.45 1x50 h ARG 141 Ca 0.61 -0.05 -0.54 0.00 0.07 0.00 0.00 59.98 60.07 1x50 h ARG 141 Cb 1.19 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 1x50 h ARG 141 CO -0.52 0.52 1.62 0.28 -1.07 0.00 0.00 179.97 180.80 1x50 n VAL 142 N -4.73 0.02 -1.73 2.04 0.31 0.89 -4.41 118.33 110.72 1x50 n VAL 142 Ca 0.16 -0.33 0.06 0.00 -0.01 0.00 0.00 64.34 64.22 1x50 n VAL 142 Cb 0.35 -1.54 0.16 0.00 -0.91 0.00 0.00 33.84 31.89 1x50 n VAL 142 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1x50 n ASP 143 N 12.00 1.58 -3.83 4.52 5.68 -1.17 -1.31 116.55 134.02 1x50 n ASP 143 Ca 0.50 -3.35 -0.21 0.00 -0.50 0.00 0.00 54.79 51.23 1x50 n ASP 143 Cb 0.25 -0.46 -0.17 0.00 -1.14 0.00 0.00 41.12 39.60 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1x50 s THR 144 N -2.43 0.42 -0.27 2.12 2.01 0.76 0.11 115.64 118.37 1x50 s THR 144 Ca 0.35 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.38 1x50 s THR 144 Cb 0.35 -0.51 0.07 0.00 0.01 0.00 0.00 72.50 72.42 1x50 s THR 144 CO -0.07 0.23 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.84 1x50 s LEU 145 N 1.39 3.19 0.15 4.42 2.96 0.30 -0.59 118.68 130.49 1x50 s LEU 145 Ca -0.04 -1.48 0.07 0.00 -0.22 0.00 0.00 54.13 52.46 1x50 s LEU 145 Cb -0.13 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1x50 s LEU 145 CO -0.03 -0.28 -0.00 -1.83 -1.32 0.00 0.00 176.35 172.90 1x50 s GLU 146 N 1.25 2.43 -0.11 1.98 -1.05 -0.74 -0.56 118.70 121.91 1x50 s GLU 146 Ca -0.01 -1.04 -0.03 0.00 -0.15 0.00 0.00 54.97 53.74 1x50 s GLU 146 Cb -0.19 -2.40 0.04 0.00 -0.44 0.00 0.00 34.13 31.14 1x50 s GLU 146 CO -0.08 0.48 0.06 0.42 0.95 0.00 0.00 175.26 177.08 1x50 s ILE 147 N -1.61 0.07 0.41 1.83 1.01 -0.50 -2.43 121.20 119.98 1x50 s ILE 147 Ca 0.27 0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.00 1x50 s ILE 147 Cb -0.10 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1x50 s ILE 147 CO 0.18 -0.01 0.06 0.00 0.00 0.00 0.00 174.94 175.17 1x50 s GLN 148 N 2.08 1.93 0.00 2.79 0.00 -1.00 -0.96 119.66 124.51 1x50 s GLN 148 Ca 0.03 -2.16 0.00 0.00 -0.00 0.00 0.00 55.36 53.23 1x50 s GLN 148 Cb -0.14 -1.06 0.00 0.00 0.00 0.00 0.00 33.01 31.81 1x50 s GLN 148 CO -0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.29 175.33 1x50 n GLY 149 N -0.95 0.48 3.06 2.60 0.00 -1.26 -0.92 105.19 108.19 1x50 n GLY 149 Ca -0.08 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1x50 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x50 s ASP 150 N -4.00 4.99 -0.08 1.61 1.11 -0.71 -4.92 116.67 114.69 1x50 s ASP 150 Ca 0.00 -2.73 -0.16 0.00 0.18 0.00 0.00 52.55 49.84 1x50 s ASP 150 Cb 0.00 -1.79 0.03 0.00 1.07 0.00 0.00 42.92 42.24 1x50 s ASP 150 CO 0.00 -0.36 0.39 0.54 1.18 0.00 0.00 175.17 176.91 1x50 s VAL 151 N 0.12 0.03 -0.65 -1.27 0.11 -1.26 -3.86 120.40 113.62 1x50 s VAL 151 Ca 0.15 -0.23 -0.10 0.00 -2.93 0.00 0.00 61.98 58.88 1x50 s VAL 151 Cb -0.22 -0.63 0.17 0.00 -1.53 0.00 0.00 36.38 34.17 1x50 s VAL 151 CO -0.03 -0.12 0.54 -0.89 -3.33 0.00 0.00 175.10 171.26 1x50 s THR 152 N -0.66 4.66 0.08 5.04 2.01 -0.53 -4.93 115.64 121.31 1x50 s THR 152 Ca -0.08 -2.34 -0.30 0.00 0.31 0.00 0.00 61.69 59.29 1x50 s THR 152 Cb -0.04 -3.97 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 1x50 s THR 152 CO 0.03 -0.90 1.13 -0.76 -0.69 0.00 0.00 174.62 173.43 1x50 s LEU 153 N 0.56 4.40 -0.08 4.42 1.43 -1.26 0.14 118.68 128.28 1x50 s LEU 153 Ca 0.13 1.96 -0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1x50 s LEU 153 Cb -0.19 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1x50 s LEU 153 CO -0.04 -0.36 -0.08 -1.20 0.23 0.00 0.00 176.35 174.90 1x50 n SER 154 N 3.54 2.92 -3.76 2.29 7.64 0.00 -3.79 113.62 122.47 1x50 n SER 154 Ca 0.07 -0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 1x50 n SER 154 Cb 0.47 -0.15 -0.13 0.00 -1.01 0.00 0.00 64.21 63.39 1x50 n SER 154 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1x50 s TYR 155 N -2.17 -0.23 -0.09 1.43 6.14 -0.20 -1.20 117.35 121.03 1x50 s TYR 155 Ca -0.11 0.59 -0.03 0.00 0.64 0.00 0.00 57.07 58.16 1x50 s TYR 155 Cb 0.03 0.01 0.04 0.00 0.42 0.00 0.00 41.96 42.46 1x50 s TYR 155 CO 0.19 -0.17 0.09 0.08 0.64 0.00 0.00 175.55 176.37 1x50 s VAL 156 N 0.89 -0.13 -0.06 3.14 1.01 -1.25 -1.28 120.40 122.71 1x50 s VAL 156 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1x50 s VAL 156 Cb -0.08 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1x50 s VAL 156 CO -0.05 0.04 -0.03 -1.58 0.00 0.00 0.00 175.10 173.48 1x50 s GLN 157 N 2.19 0.84 -0.89 2.72 0.74 -1.17 -2.85 119.66 121.22 1x50 s GLN 157 Ca 0.04 -0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.25 1x50 s GLN 157 Cb -0.13 -0.97 0.20 0.00 1.10 0.00 0.00 33.01 33.20 1x50 s GLN 157 CO -0.05 -0.18 0.91 0.42 -0.55 0.00 0.00 175.29 175.84 1x50 s ILE 158 N 1.38 5.40 0.24 -2.34 1.01 -1.26 -3.09 121.20 122.54 1x50 s ILE 158 Ca -0.04 -2.33 -0.30 0.00 0.00 0.00 0.00 60.65 57.99 1x50 s ILE 158 Cb -0.13 -4.58 -0.09 0.00 0.01 0.00 0.00 42.46 37.67 1x50 s ILE 158 CO -0.03 -1.19 1.28 -0.94 0.00 0.00 0.00 174.94 174.06 1x50 s SER 159 N 2.49 6.92 0.13 3.58 1.04 -0.98 -4.94 113.70 121.95 1x50 s SER 159 Ca 0.24 2.45 0.03 0.00 0.48 0.00 0.00 55.95 59.15 1x50 s SER 159 Cb -0.08 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 1x50 s SER 159 CO -0.09 -0.47 0.10 0.61 0.98 0.00 0.00 173.24 174.37 1x50 n GLY 160 N 1.79 3.63 3.70 7.32 0.00 -1.26 -1.33 105.19 119.03 1x50 n GLY 160 Ca 0.03 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1x50 n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x50 s PRO 161 N -2.51 4.29 -0.23 1.61 0.04 -0.66 -4.90 135.00 132.64 1x50 s PRO 161 Ca 0.14 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.13 1x50 s PRO 161 Cb 0.01 -3.46 0.10 0.00 0.04 0.00 0.00 34.50 31.19 1x50 s PRO 161 CO 0.10 -0.53 0.49 -1.12 0.04 0.00 0.00 177.00 175.98 1x50 s SER 162 N 1.65 -0.54 -0.12 6.66 0.01 -1.26 -5.14 113.70 114.96 1x50 s SER 162 Ca 0.65 1.17 -0.01 0.00 1.31 0.00 0.00 55.95 59.06 1x50 s SER 162 Cb -0.34 1.59 -0.03 0.00 0.21 0.00 0.00 66.02 67.45 1x50 s SER 162 CO 0.28 -0.23 -0.06 -0.55 0.41 0.00 0.00 173.24 173.10 1x50 s SER 163 N 2.60 4.64 0.00 2.44 0.15 -1.26 -5.29 113.70 116.97 1x50 s SER 163 Ca -0.04 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1x50 s SER 163 Cb -0.12 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1x50 s SER 163 CO -0.15 0.24 0.21 0.61 1.20 0.00 0.00 173.24 175.36