#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x50 s SER 2 N 0.00 6.34 -0.30 1.61 0.01 -1.26 -4.92 113.70 115.18 1x50 s SER 2 Ca 0.00 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 56.79 1x50 s SER 2 Cb 0.00 -2.45 0.18 0.00 0.21 0.00 0.00 66.02 63.96 1x50 s SER 2 CO 0.00 -1.28 1.06 -0.55 0.41 0.00 0.00 173.24 172.88 1x50 s SER 3 N 2.93 -0.43 0.00 2.44 0.15 -1.26 -5.14 113.70 112.39 1x50 s SER 3 Ca 0.31 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1x50 s SER 3 Cb -0.12 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1x50 s SER 3 CO 0.19 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1x50 n GLY 4 N 5.38 0.50 3.20 9.45 0.00 -1.26 -5.19 105.19 117.27 1x50 n GLY 4 Ca -0.03 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 1.16 1.61 0.01 -1.26 -5.17 113.70 110.05 1x50 s SER 5 Ca 0.00 -0.36 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 1x50 s SER 5 Cb 0.00 0.32 0.26 0.00 0.21 0.00 0.00 66.02 66.81 1x50 s SER 5 CO 0.00 -0.60 1.09 -0.44 0.41 0.00 0.00 173.24 173.70 1x50 s SER 6 N -2.20 1.28 0.00 2.44 0.01 -1.26 -5.02 113.70 108.95 1x50 s SER 6 Ca -0.03 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1x50 s SER 6 Cb -0.00 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.96 1x50 s SER 6 CO -0.05 -3.93 0.00 0.61 0.41 0.00 0.00 173.24 170.28 1x50 n GLY 7 N -0.74 0.00 3.56 3.44 0.00 -1.26 -4.98 105.19 105.22 1x50 n GLY 7 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1x50 n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x50 n HIS 8 N -1.39 0.92 -4.12 1.61 8.25 -1.26 -4.83 115.22 114.39 1x50 n HIS 8 Ca 0.00 -0.13 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 1x50 n HIS 8 Cb 0.02 -2.57 -0.10 0.00 1.12 0.00 0.00 29.99 28.45 1x50 n HIS 8 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1x50 s GLN 9 N 8.56 0.71 -1.13 -0.41 -0.21 -1.26 -5.07 119.66 120.84 1x50 s GLN 9 Ca 0.82 -1.17 -0.04 0.00 0.02 0.00 0.00 55.36 54.99 1x50 s GLN 9 Cb -0.06 -0.13 0.26 0.00 1.00 0.00 0.00 33.01 34.08 1x50 s GLN 9 CO 0.17 -0.02 1.78 0.00 -2.12 0.00 0.00 175.29 175.09 1x50 n GLN 10 N 0.36 4.65 -4.15 2.91 10.64 -1.26 -4.94 117.38 125.58 1x50 n GLN 10 Ca -0.15 -4.27 -0.15 0.00 -1.83 0.00 0.00 57.00 50.59 1x50 n GLN 10 Cb 0.59 -2.58 -0.06 0.00 -0.86 0.00 0.00 30.24 27.33 1x50 n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1x50 s LEU 11 N -2.73 1.18 -0.08 2.61 1.43 -1.26 -5.16 118.68 114.67 1x50 s LEU 11 Ca 0.38 -1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 51.95 1x50 s LEU 11 Cb 0.12 1.09 -0.03 0.00 0.03 0.00 0.00 46.19 47.40 1x50 s LEU 11 CO -0.01 -1.16 0.03 0.20 0.23 0.00 0.00 176.35 175.64 1x50 s ASN 12 N -3.25 5.43 0.08 2.29 0.01 -1.26 -5.11 114.94 113.13 1x50 s ASN 12 Ca 0.34 0.19 -0.15 0.00 -0.71 0.00 0.00 52.86 52.53 1x50 s ASN 12 Cb 0.01 -1.57 0.03 0.00 0.41 0.00 0.00 41.25 40.13 1x50 s ASN 12 CO 0.20 0.37 0.35 -0.94 -1.51 0.00 0.00 177.10 175.57 1x50 s SER 13 N -1.00 -0.16 0.21 -1.22 1.04 -1.26 -5.16 113.70 106.15 1x50 s SER 13 Ca 0.14 -0.26 0.10 0.00 0.48 0.00 0.00 55.95 56.42 1x50 s SER 13 Cb -0.11 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1x50 s SER 13 CO 0.04 -0.73 -0.21 -1.48 0.98 0.00 0.00 173.24 171.84 1x50 s LEU 14 N -2.44 2.48 0.71 2.42 0.05 -1.26 -5.14 118.68 115.50 1x50 s LEU 14 Ca -0.01 -0.91 -0.13 0.00 0.05 0.00 0.00 54.13 53.13 1x50 s LEU 14 Cb 0.01 -1.02 0.03 0.00 -2.05 0.00 0.00 46.19 43.16 1x50 s LEU 14 CO -0.07 0.04 1.10 -2.16 -0.55 0.00 0.00 176.35 174.70 1x50 s PRO 15 N -2.97 2.55 0.46 1.48 0.04 -1.26 -4.96 135.00 130.35 1x50 s PRO 15 Ca 0.21 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 1x50 s PRO 15 Cb -0.06 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 1x50 s PRO 15 CO 0.10 -1.43 0.67 -2.37 0.04 0.00 0.00 177.00 174.01 1x50 n THR 16 N -2.92 2.14 -0.91 1.26 5.66 -1.26 -4.87 114.28 113.38 1x50 n THR 16 Ca 0.10 -0.50 -0.21 0.00 -3.05 0.00 0.00 64.05 60.39 1x50 n THR 16 Cb 0.52 -0.75 0.14 0.00 -1.55 0.00 0.00 70.33 68.70 1x50 n THR 16 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1x50 n MET 17 N 0.26 2.09 -0.60 1.09 2.81 -1.26 -4.99 117.12 116.52 1x50 n MET 17 Ca 0.11 -2.56 -0.30 0.00 -1.81 0.00 0.00 57.70 53.14 1x50 n MET 17 Cb 0.42 -2.00 0.20 0.00 -0.71 0.00 0.00 33.22 31.12 1x50 n MET 17 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1x50 n GLU 18 N -0.85 -1.24 0.00 0.03 -0.00 -1.26 -4.79 120.64 112.53 1x50 n GLU 18 Ca 0.51 -0.31 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1x50 n GLU 18 Cb 1.40 -2.28 0.00 0.00 -0.00 0.00 0.00 31.44 30.57 1x50 n GLU 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x50 n GLY 19 N 0.61 0.07 3.68 -1.84 0.00 -1.26 -5.00 105.19 101.45 1x50 n GLY 19 Ca 0.08 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 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 0.57 1.13 1.61 0.04 -1.26 -5.04 135.00 132.04 1x50 s PRO 20 Ca 0.00 0.58 -0.17 0.00 0.04 0.00 0.00 61.00 61.45 1x50 s PRO 20 Cb 0.00 -1.75 0.25 0.00 0.04 0.00 0.00 34.50 33.04 1x50 s PRO 20 CO 0.00 -2.65 1.10 -1.25 0.04 0.00 0.00 177.00 174.24 1x50 s PRO 21 N -4.96 -0.62 0.25 0.56 0.04 -1.26 -5.02 135.00 123.99 1x50 s PRO 21 Ca 0.65 0.14 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 1x50 s PRO 21 Cb -0.18 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 1x50 s PRO 21 CO 0.57 -3.35 0.76 0.99 0.04 0.00 0.00 177.00 176.02 1x50 s THR 22 N -2.99 4.52 -0.05 1.26 2.01 -1.06 -5.00 115.64 114.32 1x50 s THR 22 Ca 0.69 1.35 -0.03 0.00 0.31 0.00 0.00 61.69 64.01 1x50 s THR 22 Cb -0.13 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.55 1x50 s THR 22 CO 0.57 0.16 0.12 -0.36 -0.69 0.00 0.00 174.62 174.41 1x50 s PHE 23 N -1.58 -0.13 -1.52 4.92 0.40 -1.26 -3.27 117.98 115.54 1x50 s PHE 23 Ca 0.45 0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 57.08 1x50 s PHE 23 Cb -0.16 -0.06 0.06 0.00 0.51 0.00 0.00 43.02 43.37 1x50 s PHE 23 CO 0.21 -0.12 0.61 0.09 0.70 0.00 0.00 175.22 176.71 1x50 n ASN 24 N 3.78 -1.82 -4.75 1.36 4.13 -0.91 -4.89 115.26 112.16 1x50 n ASN 24 Ca -0.22 -0.98 -0.41 0.00 1.68 0.00 0.00 54.58 54.66 1x50 n ASN 24 Cb 0.54 -3.07 -0.03 0.00 -1.54 0.00 0.00 39.78 35.69 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 -6.68 4.43 0.87 3.52 0.04 -1.25 -5.02 135.00 130.91 1x50 s PRO 25 Ca 0.32 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.27 1x50 s PRO 25 Cb -0.17 -3.16 0.22 0.00 0.04 0.00 0.00 34.50 31.43 1x50 s PRO 25 CO 0.89 -0.13 0.77 -0.35 0.04 0.00 0.00 177.00 178.22 1x50 n PRO 26 N 1.75 -2.54 -3.82 0.56 -0.04 -1.26 -4.49 135.00 125.16 1x50 n PRO 26 Ca 0.03 -1.23 -0.13 0.00 -0.04 0.00 0.00 63.50 62.13 1x50 n PRO 26 Cb 0.43 -1.16 -0.14 0.00 -0.04 0.00 0.00 33.50 32.59 1x50 n PRO 26 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x50 s VAL 27 N -2.39 -0.01 0.40 0.52 1.01 -1.26 -3.03 120.40 115.63 1x50 s VAL 27 Ca 0.50 0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 1x50 s VAL 27 Cb -0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.11 1x50 s VAL 27 CO 0.38 0.02 1.19 -2.16 0.00 0.00 0.00 175.10 174.53 1x50 s PRO 28 N 0.30 4.04 -0.26 2.72 0.04 -1.26 -5.05 135.00 135.53 1x50 s PRO 28 Ca -0.02 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 1x50 s PRO 28 Cb -0.03 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1x50 s PRO 28 CO -0.01 -0.34 0.37 -0.47 0.04 0.00 0.00 177.00 176.59 1x50 s TYR 29 N -1.39 3.26 -0.46 0.56 6.14 -0.44 -4.89 117.35 120.13 1x50 s TYR 29 Ca 0.57 0.43 -0.13 0.00 0.64 0.00 0.00 57.07 58.58 1x50 s TYR 29 Cb -0.32 -2.56 0.09 0.00 0.42 0.00 0.00 41.96 39.59 1x50 s TYR 29 CO 0.40 -0.20 0.36 -0.06 0.64 0.00 0.00 175.55 176.69 1x50 s PHE 30 N 1.96 3.29 -0.29 4.97 0.08 -1.26 -1.40 117.98 125.33 1x50 s PHE 30 Ca 0.15 -1.26 -0.01 0.00 0.12 0.00 0.00 56.93 55.93 1x50 s PHE 30 Cb -0.16 -3.20 0.05 0.00 -0.57 0.00 0.00 43.02 39.15 1x50 s PHE 30 CO 0.10 -0.86 -0.02 0.20 -0.10 0.00 0.00 175.22 174.54 1x50 s GLY 31 N 2.56 1.74 -0.19 4.36 0.00 0.10 -4.99 107.32 110.90 1x50 s GLY 31 Ca 0.04 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 42.67 1x50 s GLY 31 CO 0.04 0.69 1.34 0.50 0.00 0.00 0.00 173.10 175.67 1x50 s ARG 32 N 1.21 4.12 -0.92 2.90 1.81 -1.26 0.20 118.95 127.01 1x50 s ARG 32 Ca -0.05 1.62 -0.24 0.00 -1.72 0.00 0.00 55.73 55.34 1x50 s ARG 32 Cb -0.20 -3.84 0.02 0.00 -0.45 0.00 0.00 34.95 30.48 1x50 s ARG 32 CO -0.02 -0.86 1.57 -0.51 -0.68 0.00 0.00 175.30 174.80 1x50 s LEU 33 N 3.89 3.35 -0.48 2.53 1.43 0.38 -4.72 118.68 125.07 1x50 s LEU 33 Ca 0.58 -0.99 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 1x50 s LEU 33 Cb -0.22 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1x50 s LEU 33 CO 0.19 -1.92 2.06 -1.10 0.23 0.00 0.00 176.35 175.81 1x50 s GLN 34 N 5.73 2.64 0.00 1.70 -1.52 -1.26 -2.34 119.66 124.60 1x50 s GLN 34 Ca 0.52 1.16 0.00 0.00 -1.95 0.00 0.00 55.36 55.09 1x50 s GLN 34 Cb -0.04 -4.41 0.00 0.00 -0.22 0.00 0.00 33.01 28.34 1x50 s GLN 34 CO -0.02 -2.69 0.00 0.41 -0.25 0.00 0.00 175.29 172.74 1x50 n GLY 35 N 5.75 3.67 0.00 3.09 0.00 -1.26 -5.02 105.19 111.42 1x50 n GLY 35 Ca 0.27 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.65 3.53 -0.02 0.00 -0.99 -4.79 105.19 102.27 1x50 n GLY 36 Ca 0.00 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.06 1.55 -4.51 0.99 4.77 -1.11 -4.91 117.00 112.73 1x50 n LEU 37 Ca 0.00 -0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 55.45 1x50 n LEU 37 Cb 0.00 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 39.65 1x50 n LEU 37 CO 0.00 -1.26 -0.47 0.42 -1.33 0.00 0.00 177.39 174.75 1x50 s THR 38 N 11.05 2.83 0.50 -5.08 -4.23 -1.26 -3.95 115.64 115.50 1x50 s THR 38 Ca 1.12 -1.78 0.27 0.00 -1.18 0.00 0.00 61.69 60.12 1x50 s THR 38 Cb -0.58 -2.38 0.45 0.00 1.34 0.00 0.00 72.50 71.33 1x50 s THR 38 CO 0.35 -0.09 1.88 0.00 -0.54 0.00 0.00 174.62 176.22 1x50 h ALA 39 N 3.11 2.65 -0.99 3.99 0.00 -1.73 0.34 119.26 126.62 1x50 h ALA 39 Ca -0.47 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.85 1x50 h ALA 39 Cb 1.20 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.73 1x50 h ALA 39 CO 0.51 -0.91 0.73 0.54 0.00 0.00 0.00 179.25 180.12 1x50 n ARG 40 N -4.35 2.41 -5.20 0.00 5.12 -1.26 -4.53 116.66 108.85 1x50 n ARG 40 Ca 0.19 -3.12 -0.32 0.00 -1.93 0.00 0.00 57.85 52.67 1x50 n ARG 40 Cb 0.88 -2.22 -0.16 0.00 -1.16 0.00 0.00 32.46 29.80 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 -3.50 2.38 -0.07 5.56 3.52 0.12 -4.62 118.95 122.34 1x50 s ARG 41 Ca 0.60 -0.87 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 1x50 s ARG 41 Cb 0.49 -2.17 0.04 0.00 -1.56 0.00 0.00 34.95 31.75 1x50 s ARG 41 CO 0.06 0.50 0.06 0.99 -0.81 0.00 0.00 175.30 176.10 1x50 s THR 42 N -0.44 -0.04 -0.02 4.11 2.01 -1.24 -0.93 115.64 119.09 1x50 s THR 42 Ca 0.05 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 1x50 s THR 42 Cb -0.12 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1x50 s THR 42 CO 0.01 0.11 0.48 -0.63 -0.69 0.00 0.00 174.62 173.90 1x50 s ILE 43 N 2.14 5.01 -0.04 1.82 1.09 0.21 -1.24 121.20 130.18 1x50 s ILE 43 Ca 0.04 0.99 0.03 0.00 -1.10 0.00 0.00 60.65 60.62 1x50 s ILE 43 Cb -0.13 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 1x50 s ILE 43 CO -0.04 0.48 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.51 1x50 s ILE 44 N -0.45 1.13 -0.22 2.92 1.01 -1.00 0.43 121.20 125.02 1x50 s ILE 44 Ca 0.26 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 1x50 s ILE 44 Cb -0.17 -1.00 0.07 0.00 0.01 0.00 0.00 42.46 41.37 1x50 s ILE 44 CO 0.14 0.34 0.05 -0.63 0.00 0.00 0.00 174.94 174.84 1x50 s ILE 45 N 0.29 0.57 -0.41 2.92 1.01 0.97 -3.14 121.20 123.40 1x50 s ILE 45 Ca -0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 1x50 s ILE 45 Cb -0.12 -1.16 0.09 0.00 0.01 0.00 0.00 42.46 41.28 1x50 s ILE 45 CO 0.02 -0.32 0.24 -0.54 0.00 0.00 0.00 174.94 174.34 1x50 s LYS 46 N 1.82 2.49 0.00 2.79 1.02 -0.13 -1.72 119.74 126.01 1x50 s LYS 46 Ca 0.01 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1x50 s LYS 46 Cb -0.17 -3.73 0.00 0.00 -0.52 0.00 0.00 37.83 33.41 1x50 s LYS 46 CO -0.13 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 1x50 n GLY 47 N 4.85 5.37 3.59 -3.33 0.00 -1.23 -0.76 105.19 113.67 1x50 n GLY 47 Ca -0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 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 1.50 -0.62 -0.23 1.61 6.14 0.16 -3.21 117.35 122.70 1x50 s TYR 48 Ca 0.00 1.19 -0.29 0.00 0.64 0.00 0.00 57.07 58.60 1x50 s TYR 48 Cb 0.00 0.37 -0.00 0.00 0.42 0.00 0.00 41.96 42.74 1x50 s TYR 48 CO 0.00 -0.31 1.26 0.08 0.64 0.00 0.00 175.55 177.23 1x50 s VAL 49 N 1.62 4.25 0.64 3.14 1.01 -1.21 -0.79 120.40 129.05 1x50 s VAL 49 Ca -0.08 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 1x50 s VAL 49 Cb -0.04 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1x50 s VAL 49 CO -0.16 -0.30 1.11 -2.16 0.00 0.00 0.00 175.10 173.60 1x50 s PRO 50 N 3.79 2.91 0.54 2.72 0.04 -1.26 -1.01 135.00 142.73 1x50 s PRO 50 Ca 0.55 1.44 0.33 0.00 0.04 0.00 0.00 61.00 63.35 1x50 s PRO 50 Cb -0.19 -1.96 1.36 0.00 0.04 0.00 0.00 34.50 33.75 1x50 s PRO 50 CO 0.18 -1.17 1.98 -1.00 0.04 0.00 0.00 177.00 177.03 1x50 h PRO 51 N 0.26 0.00 -0.69 0.56 0.13 -1.95 -2.48 132.00 127.83 1x50 h PRO 51 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x50 h PRO 51 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x50 h PRO 51 CO 0.55 0.03 0.00 0.25 -0.23 0.00 0.00 178.00 178.60 1x50 n THR 52 N -3.15 0.92 -2.93 1.56 -2.24 -1.26 -4.96 114.28 102.23 1x50 n THR 52 Ca 0.00 -0.95 -0.04 0.00 -2.27 0.00 0.00 64.05 60.79 1x50 n THR 52 Cb 0.31 0.55 0.02 0.00 -2.10 0.00 0.00 70.33 69.10 1x50 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x50 n GLY 53 N 1.65 1.79 1.70 3.38 0.00 -0.93 -5.09 105.19 107.68 1x50 n GLY 53 Ca 0.24 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1x50 n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x50 n LYS 54 N -1.30 0.00 -3.58 1.61 4.76 -1.26 -4.99 118.16 113.40 1x50 n LYS 54 Ca 0.04 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.35 1x50 n LYS 54 Cb 0.13 -0.08 -0.06 0.00 -1.84 0.00 0.00 35.03 33.18 1x50 n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1x50 s SER 55 N -4.86 -0.49 0.30 4.39 1.04 -1.26 -4.48 113.70 108.34 1x50 s SER 55 Ca 0.00 0.67 0.03 0.00 0.48 0.00 0.00 55.95 57.12 1x50 s SER 55 Cb 0.00 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1x50 s SER 55 CO 0.00 -0.36 0.21 2.22 0.98 0.00 0.00 173.24 176.29 1x50 n PHE 56 N 1.25 -0.89 -3.67 5.02 -1.74 -1.26 -2.54 117.46 113.64 1x50 n PHE 56 Ca -0.13 -1.29 -0.14 0.00 -0.56 0.00 0.00 57.45 55.33 1x50 n PHE 56 Cb 0.57 -0.24 -0.08 0.00 1.52 0.00 0.00 39.48 41.24 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 -2.44 -1.32 -0.32 1.98 0.00 -0.34 -3.78 121.76 115.55 1x50 s ALA 57 Ca 0.16 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1x50 s ALA 57 Cb -0.01 -0.55 0.09 0.00 0.00 0.00 0.00 23.12 22.64 1x50 s ALA 57 CO 0.10 -0.28 0.03 0.42 0.00 0.00 0.00 175.76 176.03 1x50 s ILE 58 N -0.27 2.04 -0.05 0.00 1.09 0.77 -2.42 121.20 122.36 1x50 s ILE 58 Ca -0.04 -2.05 -0.03 0.00 -1.10 0.00 0.00 60.65 57.42 1x50 s ILE 58 Cb -0.03 -2.44 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 1x50 s ILE 58 CO 0.03 -0.49 0.12 0.20 -0.10 0.00 0.00 174.94 174.70 1x50 s ASN 59 N 1.05 6.05 -0.38 3.58 0.01 -1.04 -1.74 114.94 122.46 1x50 s ASN 59 Ca 0.07 0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.54 1x50 s ASN 59 Cb -0.19 -1.85 0.11 0.00 0.41 0.00 0.00 41.25 39.73 1x50 s ASN 59 CO -0.10 0.32 0.11 -0.36 -1.51 0.00 0.00 177.10 175.56 1x50 s PHE 60 N -1.16 3.66 0.47 2.20 0.40 0.59 -2.15 117.98 122.00 1x50 s PHE 60 Ca 0.21 -2.93 0.05 0.00 -0.60 0.00 0.00 56.93 53.66 1x50 s PHE 60 Cb -0.12 -2.97 0.02 0.00 0.51 0.00 0.00 43.02 40.46 1x50 s PHE 60 CO 0.11 -0.93 0.65 0.21 0.70 0.00 0.00 175.22 175.97 1x50 s LYS 61 N 0.77 2.75 -0.26 0.44 2.20 -0.07 -1.13 119.74 124.44 1x50 s LYS 61 Ca 0.11 -0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 54.63 1x50 s LYS 61 Cb -0.20 -2.65 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 1x50 s LYS 61 CO -0.06 -0.42 0.16 0.08 -0.36 0.00 0.00 175.35 174.75 1x50 s VAL 62 N -2.51 5.23 0.40 4.02 1.01 -0.63 -1.21 120.40 126.71 1x50 s VAL 62 Ca 0.55 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.73 1x50 s VAL 62 Cb -0.10 -3.46 0.26 0.00 0.00 0.00 0.00 36.38 33.08 1x50 s VAL 62 CO 0.35 0.30 2.05 1.23 0.00 0.00 0.00 175.10 179.04 1x50 h GLY 63 N 7.95 0.60 0.00 4.51 0.00 -1.78 0.25 103.07 114.60 1x50 h GLY 63 Ca -0.37 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1x50 h GLY 63 CO 0.60 0.22 0.00 -1.26 0.00 0.00 0.00 176.54 176.10 1x50 n SER 64 N -4.47 0.00 -0.00 0.19 2.88 -1.26 -4.65 113.62 106.30 1x50 n SER 64 Ca 0.03 0.73 -0.00 0.00 -1.33 0.00 0.00 58.87 58.30 1x50 n SER 64 Cb 0.06 -0.41 -0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1x50 n SER 64 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x50 h SER 65 N 0.00 0.00 0.00 -3.46 0.87 -1.95 -3.50 113.55 105.51 1x50 h SER 65 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x50 h SER 65 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1x50 h SER 65 CO 0.00 0.04 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 1x50 n GLY 66 N 1.94 0.74 3.59 5.77 0.00 0.07 -4.97 105.19 112.34 1x50 n GLY 66 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.10 4.70 -0.21 1.61 1.01 -1.26 -4.67 116.67 116.75 1x50 s ASP 67 Ca 0.00 -0.03 -0.24 0.00 0.71 0.00 0.00 52.55 52.99 1x50 s ASP 67 Cb 0.00 -1.17 -0.01 0.00 1.01 0.00 0.00 42.92 42.74 1x50 s ASP 67 CO 0.00 0.35 0.78 -0.63 0.21 0.00 0.00 175.17 175.87 1x50 s ILE 68 N -0.86 4.90 -0.09 0.77 1.01 0.18 -1.61 121.20 125.49 1x50 s ILE 68 Ca 0.14 1.49 0.14 0.00 0.00 0.00 0.00 60.65 62.42 1x50 s ILE 68 Cb -0.11 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.04 1x50 s ILE 68 CO 0.03 0.01 0.48 0.00 0.00 0.00 0.00 174.94 175.46 1x50 n ALA 69 N 5.52 1.50 -3.74 9.38 0.00 -0.28 -2.02 120.51 130.87 1x50 n ALA 69 Ca 0.03 -0.94 -0.13 0.00 0.00 0.00 0.00 53.44 52.40 1x50 n ALA 69 Cb 0.48 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 19.14 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 -5.91 0.65 -0.37 0.00 2.96 -1.25 -4.48 118.68 110.29 1x50 s LEU 70 Ca -0.06 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1x50 s LEU 70 Cb 0.07 0.45 0.13 0.00 0.50 0.00 0.00 46.19 47.34 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 1.19 1.29 -0.09 5.38 5.65 0.57 -0.30 115.29 128.98 1x50 s HIS 71 Ca -0.09 -1.86 -0.14 0.00 0.25 0.00 0.00 55.06 53.22 1x50 s HIS 71 Cb -0.11 -1.39 -0.05 0.00 -1.18 0.00 0.00 32.58 29.84 1x50 s HIS 71 CO -0.07 -0.82 0.36 0.42 -0.65 0.00 0.00 174.74 173.98 1x50 s ILE 72 N 1.01 5.19 -0.22 0.89 1.01 -0.71 -0.40 121.20 127.97 1x50 s ILE 72 Ca 0.16 0.71 -0.04 0.00 0.00 0.00 0.00 60.65 61.47 1x50 s ILE 72 Cb -0.22 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.65 1x50 s ILE 72 CO -0.07 0.47 0.10 0.21 0.00 0.00 0.00 174.94 175.64 1x50 s ASN 73 N -0.22 2.88 0.66 3.58 3.04 0.01 -0.17 114.94 124.73 1x50 s ASN 73 Ca 0.21 -0.91 -0.15 0.00 0.04 0.00 0.00 52.86 52.06 1x50 s ASN 73 Cb -0.15 -0.34 0.00 0.00 -1.54 0.00 0.00 41.25 39.22 1x50 s ASN 73 CO 0.09 -0.38 1.11 -2.16 -3.04 0.00 0.00 177.10 172.72 1x50 s PRO 74 N 2.07 2.77 -0.32 0.43 0.04 -1.25 -2.24 135.00 136.51 1x50 s PRO 74 Ca 0.04 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 1x50 s PRO 74 Cb -0.16 -1.95 0.10 0.00 0.04 0.00 0.00 34.50 32.53 1x50 s PRO 74 CO -0.19 -1.27 0.10 1.03 0.04 0.00 0.00 177.00 176.72 1x50 s ARG 75 N -4.13 0.76 0.60 4.56 0.52 -1.21 -4.52 118.95 115.52 1x50 s ARG 75 Ca 0.67 -1.15 -0.20 0.00 -0.52 0.00 0.00 55.73 54.54 1x50 s ARG 75 Cb -0.20 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 1x50 s ARG 75 CO 0.42 -1.00 1.29 -1.33 0.02 0.00 0.00 175.30 174.70 1x50 n MET 76 N 4.76 1.33 0.00 3.54 2.81 -1.26 -2.64 117.12 125.66 1x50 n MET 76 Ca -0.01 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 1x50 n MET 76 Cb 0.42 -2.51 0.00 0.00 -0.71 0.00 0.00 33.22 30.41 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 0.89 2.08 0.12 3.03 0.00 -1.26 -4.60 105.19 105.45 1x50 n GLY 77 Ca 0.13 -0.28 -0.04 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 -0.41 0.00 1.61 -0.73 -2.00 -3.48 115.58 110.58 1x50 h ASN 78 Ca 0.00 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1x50 h ASN 78 Cb 0.00 0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1x50 h ASN 78 CO 0.00 -0.13 0.00 0.61 -0.37 0.00 0.00 177.43 177.54 1x50 n GLY 79 N -1.11 0.97 2.72 1.57 0.00 -1.08 -5.04 105.19 103.22 1x50 n GLY 79 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.69 0.19 -0.43 2.61 -4.23 -1.25 -4.73 115.64 106.10 1x50 s THR 80 Ca 0.00 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.49 1x50 s THR 80 Cb 0.00 -0.47 0.05 0.00 1.34 0.00 0.00 72.50 73.42 1x50 s THR 80 CO 0.00 0.13 0.32 -0.69 -0.54 0.00 0.00 174.62 173.84 1x50 s VAL 81 N 2.04 4.98 0.22 2.29 1.01 -1.26 -3.35 120.40 126.33 1x50 s VAL 81 Ca 0.04 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1x50 s VAL 81 Cb -0.13 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1x50 s VAL 81 CO -0.05 -0.44 1.00 -0.69 0.00 0.00 0.00 175.10 174.91 1x50 s VAL 82 N 1.60 4.00 -0.10 2.92 1.01 -0.95 -4.23 120.40 124.65 1x50 s VAL 82 Ca 0.04 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.94 1x50 s VAL 82 Cb -0.22 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 31.96 1x50 s VAL 82 CO 0.07 0.41 -0.13 -0.13 0.00 0.00 0.00 175.10 175.32 1x50 s ARG 83 N -0.92 1.96 0.25 2.72 3.00 0.24 -0.81 118.95 125.38 1x50 s ARG 83 Ca 0.44 -0.47 0.03 0.00 0.00 0.00 0.00 55.73 55.73 1x50 s ARG 83 Cb -0.27 -1.70 -0.01 0.00 0.00 0.00 0.00 34.95 32.96 1x50 s ARG 83 CO 0.34 -0.07 0.12 0.09 0.00 0.00 0.00 175.30 175.77 1x50 n ASN 84 N 4.23 0.75 -3.16 0.23 4.13 0.47 -2.30 115.26 119.60 1x50 n ASN 84 Ca -0.19 -2.42 0.03 0.00 1.68 0.00 0.00 54.58 53.68 1x50 n ASN 84 Cb 0.51 0.77 -0.01 0.00 -1.54 0.00 0.00 39.78 39.51 1x50 n ASN 84 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1x50 s SER 85 N -2.61 -1.36 -0.26 6.41 0.15 -1.26 0.21 113.70 114.99 1x50 s SER 85 Ca 0.16 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.02 1x50 s SER 85 Cb 0.01 2.02 0.00 0.00 -1.71 0.00 0.00 66.02 66.34 1x50 s SER 85 CO 0.12 -0.28 1.21 -0.22 1.20 0.00 0.00 173.24 175.26 1x50 s LEU 86 N 2.82 4.01 0.36 3.45 2.96 -0.85 -0.35 118.68 131.07 1x50 s LEU 86 Ca 0.15 1.34 0.02 0.00 -0.22 0.00 0.00 54.13 55.42 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 -0.89 0.55 -0.76 -1.32 0.00 0.00 176.35 173.69 1x50 s LEU 87 N 3.82 3.95 -0.85 -0.68 1.43 0.67 0.48 118.68 127.50 1x50 s LEU 87 Ca 0.52 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 1x50 s LEU 87 Cb -0.17 -3.17 -0.20 0.00 0.03 0.00 0.00 46.19 42.68 1x50 s LEU 87 CO 0.17 -0.39 2.41 -0.46 0.23 0.00 0.00 176.35 178.31 1x50 n ASN 88 N -1.80 0.33 0.00 2.29 2.04 -1.26 0.24 115.26 117.10 1x50 n ASN 88 Ca -0.03 0.24 0.00 0.00 -0.44 0.00 0.00 54.58 54.35 1x50 n ASN 88 Cb 0.57 -0.84 0.00 0.00 -2.53 0.00 0.00 39.78 36.97 1x50 n ASN 88 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x50 n GLY 89 N 6.13 0.56 3.68 4.83 0.00 -1.26 -4.90 105.19 114.23 1x50 n GLY 89 Ca 0.59 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.40 4.02 0.18 1.61 0.15 0.65 -5.16 113.70 112.75 1x50 s SER 90 Ca 0.00 -1.42 0.06 0.00 0.70 0.00 0.00 55.95 55.29 1x50 s SER 90 Cb 0.00 -0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1x50 s SER 90 CO 0.00 -0.58 -0.11 0.26 1.20 0.00 0.00 173.24 174.01 1x50 s TRP 91 N -2.75 1.48 0.00 3.44 0.52 -1.26 0.24 118.94 120.62 1x50 s TRP 91 Ca 0.28 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.69 1x50 s TRP 91 Cb 0.07 -0.74 0.00 0.00 -1.15 0.00 0.00 33.47 31.65 1x50 s TRP 91 CO 0.14 0.18 0.00 0.41 0.02 0.00 0.00 176.95 177.70 1x50 n GLY 92 N -0.30 0.89 3.76 0.98 0.00 0.52 -4.71 105.19 106.33 1x50 n GLY 92 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.04 -0.28 1.61 0.01 -1.26 -4.97 113.70 107.77 1x50 s SER 93 Ca 0.00 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.95 1x50 s SER 93 Cb 0.00 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 1x50 s SER 93 CO 0.00 -0.39 0.12 -1.61 0.41 0.00 0.00 173.24 171.76 1x50 s GLU 94 N -2.32 3.49 -0.06 12.44 2.02 -1.26 -3.97 118.70 129.04 1x50 s GLU 94 Ca 0.19 -0.60 0.05 0.00 0.02 0.00 0.00 54.97 54.63 1x50 s GLU 94 Cb 0.02 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 1x50 s GLU 94 CO -0.02 -0.31 -0.21 -1.21 0.02 0.00 0.00 175.26 173.53 1x50 s GLU 95 N 1.62 2.35 -0.06 1.61 0.41 -0.97 -4.94 118.70 118.71 1x50 s GLU 95 Ca 0.05 -0.77 0.01 0.00 -0.41 0.00 0.00 54.97 53.85 1x50 s GLU 95 Cb -0.16 -1.94 0.02 0.00 -1.78 0.00 0.00 34.13 30.26 1x50 s GLU 95 CO 0.05 0.27 -0.08 0.15 -0.49 0.00 0.00 175.26 175.16 1x50 s LYS 96 N 0.06 1.33 -0.30 1.61 1.02 -1.26 -0.60 119.74 121.60 1x50 s LYS 96 Ca -0.07 -0.26 -0.15 0.00 0.02 0.00 0.00 55.97 55.51 1x50 s LYS 96 Cb -0.14 -1.21 0.18 0.00 -0.52 0.00 0.00 37.83 36.13 1x50 s LYS 96 CO 0.04 -0.06 1.12 0.21 -0.92 0.00 0.00 175.35 175.74 1x50 s LYS 97 N 0.94 0.12 -0.06 1.68 2.36 -1.26 -5.03 119.74 118.49 1x50 s LYS 97 Ca -0.10 0.20 -0.11 0.00 -2.55 0.00 0.00 55.97 53.41 1x50 s LYS 97 Cb -0.15 0.11 0.02 0.00 -1.05 0.00 0.00 37.83 36.76 1x50 s LYS 97 CO 0.01 -0.15 0.26 -1.50 1.55 0.00 0.00 175.35 175.52 1x50 s ILE 98 N 2.97 0.03 0.04 5.43 2.07 -1.26 -4.73 121.20 125.75 1x50 s ILE 98 Ca 0.00 -0.23 -0.15 0.00 -1.41 0.00 0.00 60.65 58.87 1x50 s ILE 98 Cb -0.08 -0.45 -0.33 0.00 0.13 0.00 0.00 42.46 41.73 1x50 s ILE 98 CO -0.11 -0.12 1.05 0.00 -1.91 0.00 0.00 174.94 173.84 1x50 h THR 99 N 4.43 1.30 -2.47 4.00 1.03 -1.87 -3.47 112.91 115.85 1x50 h THR 99 Ca -0.28 -2.64 -0.09 0.00 -0.01 0.00 0.00 66.41 63.40 1x50 h THR 99 Cb 1.19 2.91 -0.24 0.00 -1.07 0.00 0.00 68.15 70.94 1x50 h THR 99 CO 0.36 0.79 -0.14 -1.38 -0.01 0.00 0.00 175.52 175.15 1x50 s HIS 100 N -2.75 -0.63 -0.60 0.00 0.00 -1.26 -5.12 115.29 104.94 1x50 s HIS 100 Ca -0.09 1.44 -0.10 0.00 -3.00 0.00 0.00 55.06 53.31 1x50 s HIS 100 Cb 0.05 0.25 0.15 0.00 -4.00 0.00 0.00 32.58 29.04 1x50 s HIS 100 CO 0.94 -0.31 0.49 -0.80 -1.00 0.00 0.00 174.74 174.06 1x50 s ASN 101 N 0.65 5.96 0.23 7.38 -0.87 -1.26 -4.92 114.94 122.11 1x50 s ASN 101 Ca -0.03 -2.26 0.00 0.00 -1.57 0.00 0.00 52.86 49.00 1x50 s ASN 101 Cb -0.05 -2.06 0.25 0.00 -0.02 0.00 0.00 41.25 39.37 1x50 s ASN 101 CO -0.04 -0.63 1.60 1.55 -2.57 0.00 0.00 177.10 177.01 1x50 h PRO 102 N 8.09 0.48 -6.04 -0.60 0.13 -1.99 -3.44 132.00 128.63 1x50 h PRO 102 Ca -0.11 -0.25 -0.74 0.00 -0.87 0.00 0.00 66.00 64.03 1x50 h PRO 102 Cb 1.05 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1x50 h PRO 102 CO 0.83 0.82 1.18 1.19 -0.23 0.00 0.00 178.00 181.80 1x50 n PHE 103 N -4.01 1.61 -3.82 1.56 3.72 -1.26 -4.92 117.46 110.34 1x50 n PHE 103 Ca -0.02 0.58 -0.12 0.00 -0.05 0.00 0.00 57.45 57.84 1x50 n PHE 103 Cb 0.52 -2.41 -0.12 0.00 -0.94 0.00 0.00 39.48 36.54 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 5.49 -0.09 -0.36 1.37 0.00 -1.26 -4.60 107.32 107.87 1x50 s GLY 104 Ca 1.09 0.36 -0.28 0.00 0.00 0.00 0.00 44.72 45.89 1x50 s GLY 104 CO 0.62 0.28 1.71 2.56 0.00 0.00 0.00 173.10 178.26 1x50 s PRO 105 N -0.23 3.37 0.00 2.90 0.04 -1.26 -2.46 135.00 137.36 1x50 s PRO 105 Ca -0.03 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1x50 s PRO 105 Cb -0.03 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1x50 s PRO 105 CO 0.01 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1x50 n GLY 106 N 5.35 1.35 3.12 0.56 0.00 -0.18 -4.76 105.19 110.63 1x50 n GLY 106 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.06 0.69 0.65 1.61 -2.07 -1.03 -5.00 119.66 114.46 1x50 s GLN 107 Ca 0.00 -0.89 -0.11 0.00 -1.82 0.00 0.00 55.36 52.54 1x50 s GLN 107 Cb 0.00 -0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 31.34 1x50 s GLN 107 CO 0.00 0.11 1.04 -0.59 -1.32 0.00 0.00 175.29 174.54 1x50 s PHE 108 N -1.46 3.41 -0.10 9.60 -0.12 -1.26 -3.31 117.98 124.74 1x50 s PHE 108 Ca -0.05 1.34 -0.04 0.00 -0.05 0.00 0.00 56.93 58.14 1x50 s PHE 108 Cb -0.09 -2.79 0.05 0.00 -0.63 0.00 0.00 43.02 39.56 1x50 s PHE 108 CO 0.01 -0.93 0.21 -0.59 -0.05 0.00 0.00 175.22 173.88 1x50 s PHE 109 N -3.12 -0.30 -0.58 3.49 -0.12 -1.20 -4.89 117.98 111.26 1x50 s PHE 109 Ca 0.56 0.78 -0.20 0.00 -0.05 0.00 0.00 56.93 58.02 1x50 s PHE 109 Cb -0.12 -0.11 0.08 0.00 -0.63 0.00 0.00 43.02 42.24 1x50 s PHE 109 CO 0.54 -0.29 0.74 0.34 -0.05 0.00 0.00 175.22 176.51 1x50 s ASP 110 N 2.10 6.20 -0.12 1.98 2.15 -1.26 -3.54 116.67 124.17 1x50 s ASP 110 Ca -0.01 -1.14 -0.06 0.00 0.43 0.00 0.00 52.55 51.77 1x50 s ASP 110 Cb -0.12 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1x50 s ASP 110 CO -0.07 -1.12 0.10 -0.22 -0.17 0.00 0.00 175.17 173.69 1x50 s LEU 111 N 2.99 4.15 -0.16 -1.34 1.98 -0.70 -1.97 118.68 123.64 1x50 s LEU 111 Ca 0.16 0.35 -0.04 0.00 -2.89 0.00 0.00 54.13 51.70 1x50 s LEU 111 Cb -0.21 -2.01 0.07 0.00 0.66 0.00 0.00 46.19 44.71 1x50 s LEU 111 CO 0.09 0.37 0.20 -0.44 -1.89 0.00 0.00 176.35 174.68 1x50 s SER 112 N -0.77 1.09 -0.26 3.68 0.01 -0.42 -0.02 113.70 117.01 1x50 s SER 112 Ca 0.13 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.32 1x50 s SER 112 Cb -0.12 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 1x50 s SER 112 CO 0.03 -0.29 0.21 -0.63 0.41 0.00 0.00 173.24 172.97 1x50 s ILE 113 N 2.32 5.31 -0.14 1.44 1.09 0.17 -0.13 121.20 131.26 1x50 s ILE 113 Ca 0.05 0.25 -0.12 0.00 -1.10 0.00 0.00 60.65 59.73 1x50 s ILE 113 Cb -0.14 -3.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.66 1x50 s ILE 113 CO -0.10 0.28 0.25 -0.13 -0.10 0.00 0.00 174.94 175.14 1x50 s ARG 114 N 1.50 4.08 -0.25 2.79 0.52 0.11 0.67 118.95 128.37 1x50 s ARG 114 Ca 0.09 0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.21 1x50 s ARG 114 Cb -0.15 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.91 1x50 s ARG 114 CO 0.08 0.38 0.23 0.00 0.02 0.00 0.00 175.30 176.02 1x50 n GLY 116 N 4.49 4.36 0.01 0.00 0.00 -1.14 -4.08 105.19 108.82 1x50 n GLY 116 Ca -0.13 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 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 1.02 -0.11 0.99 4.77 -1.26 -3.71 117.00 118.69 1x50 n LEU 117 Ca 0.00 -0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1x50 n LEU 117 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1x50 n LEU 117 CO 0.00 0.20 -1.23 0.47 -1.33 0.00 0.00 177.39 175.51 1x50 n ASP 118 N -2.22 1.97 -2.16 -1.43 8.00 -1.26 -5.01 116.55 114.44 1x50 n ASP 118 Ca -0.03 0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.56 1x50 n ASP 118 Cb 0.54 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1x50 n ASP 118 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x50 n ARG 119 N -3.83 0.51 -4.15 -1.24 1.74 -1.26 -3.29 116.66 105.14 1x50 n ARG 119 Ca -0.46 -1.58 -0.23 0.00 -0.77 0.00 0.00 57.85 54.81 1x50 n ARG 119 Cb 0.92 1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 33.95 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 -4.14 3.01 -0.26 -1.55 0.40 -0.46 -2.90 117.98 112.08 1x50 s PHE 120 Ca 0.15 -0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1x50 s PHE 120 Cb -0.01 -1.38 0.08 0.00 0.51 0.00 0.00 43.02 42.22 1x50 s PHE 120 CO 0.11 0.54 0.04 0.15 0.70 0.00 0.00 175.22 176.76 1x50 s LYS 121 N -3.59 0.93 -0.08 0.44 1.02 -0.32 -2.65 119.74 115.47 1x50 s LYS 121 Ca 0.32 -0.89 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 1x50 s LYS 121 Cb -0.08 -2.21 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 1x50 s LYS 121 CO 0.23 -0.80 0.37 0.08 -0.92 0.00 0.00 175.35 174.31 1x50 s VAL 122 N 1.61 5.18 0.08 3.17 1.01 -0.81 0.08 120.40 130.72 1x50 s VAL 122 Ca 0.03 0.73 0.09 0.00 0.00 0.00 0.00 61.98 62.83 1x50 s VAL 122 Cb -0.18 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1x50 s VAL 122 CO -0.15 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 174.88 1x50 s TYR 123 N -0.24 1.96 -0.23 5.22 1.51 0.82 -0.02 117.35 126.38 1x50 s TYR 123 Ca 0.21 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1x50 s TYR 123 Cb -0.15 -1.11 0.07 0.00 -0.11 0.00 0.00 41.96 40.66 1x50 s TYR 123 CO 0.09 0.19 0.04 0.00 -1.11 0.00 0.00 175.55 174.76 1x50 s ALA 124 N -0.99 1.27 -1.59 3.71 0.00 0.52 -1.29 121.76 123.38 1x50 s ALA 124 Ca 0.09 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 1x50 s ALA 124 Cb -0.10 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.70 1x50 s ALA 124 CO 0.04 -1.30 0.49 0.09 0.00 0.00 0.00 175.76 175.07 1x50 n ASN 125 N 4.95 -5.99 0.00 0.00 3.02 -0.83 -1.83 115.26 114.58 1x50 n ASN 125 Ca -0.08 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 1x50 n ASN 125 Cb 0.45 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.75 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 -1.41 0.49 2.75 7.41 0.00 -1.26 -5.05 105.19 108.11 1x50 n GLY 126 Ca -0.14 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.57 0.47 -0.65 1.61 -1.52 -0.76 -5.08 119.66 110.16 1x50 s GLN 127 Ca 0.00 0.14 -0.29 0.00 -1.95 0.00 0.00 55.36 53.26 1x50 s GLN 127 Cb 0.00 -0.93 -0.13 0.00 -0.22 0.00 0.00 33.01 31.73 1x50 s GLN 127 CO 0.00 -0.32 2.49 1.58 -0.25 0.00 0.00 175.29 178.78 1x50 n HIS 128 N 5.18 1.15 0.03 0.91 -0.00 -1.26 -0.36 115.22 120.87 1x50 n HIS 128 Ca -0.06 0.23 -0.01 0.00 -0.00 0.00 0.00 57.72 57.88 1x50 n HIS 128 Cb 0.50 -2.53 -0.01 0.00 -0.00 0.00 0.00 29.99 27.95 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 15.87 -0.07 -7.90 0.27 5.85 -0.75 -3.45 115.31 125.13 1x50 h LEU 129 Ca -0.18 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.65 1x50 h LEU 129 Cb 1.29 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1x50 h LEU 129 CO 1.22 -0.04 0.43 0.72 -0.34 0.00 0.00 178.44 180.44 1x50 s PHE 130 N -2.64 0.00 0.23 1.25 -0.12 -1.19 -3.68 117.98 111.83 1x50 s PHE 130 Ca -0.01 -0.46 0.09 0.00 -0.05 0.00 0.00 56.93 56.50 1x50 s PHE 130 Cb 0.00 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 43.07 1x50 s PHE 130 CO 0.04 -1.11 -0.05 -0.51 -0.05 0.00 0.00 175.22 173.53 1x50 s ASP 131 N -3.14 4.40 -0.25 1.98 1.01 -1.26 -1.92 116.67 117.48 1x50 s ASP 131 Ca 0.16 -0.62 -0.01 0.00 0.71 0.00 0.00 52.55 52.79 1x50 s ASP 131 Cb -0.03 -0.78 0.07 0.00 1.01 0.00 0.00 42.92 43.19 1x50 s ASP 131 CO 0.06 0.05 0.03 0.12 0.21 0.00 0.00 175.17 175.65 1x50 s PHE 132 N -2.05 1.72 0.20 4.23 5.36 -1.09 -4.94 117.98 121.40 1x50 s PHE 132 Ca 0.28 -1.47 -0.31 0.00 -0.96 0.00 0.00 56.93 54.48 1x50 s PHE 132 Cb -0.07 -1.47 -0.10 0.00 -0.34 0.00 0.00 43.02 41.03 1x50 s PHE 132 CO 0.18 -0.76 1.53 0.00 -1.46 0.00 0.00 175.22 174.71 1x50 s ALA 133 N 1.62 3.73 -0.10 11.12 0.00 -1.26 -1.36 121.76 135.50 1x50 s ALA 133 Ca 0.02 1.36 -0.32 0.00 0.00 0.00 0.00 51.96 53.02 1x50 s ALA 133 Cb -0.18 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.24 1x50 s ALA 133 CO -0.13 -0.78 1.99 0.72 0.00 0.00 0.00 175.76 177.56 1x50 n HIS 134 N 3.39 2.25 -0.13 0.00 -0.00 -1.21 -4.86 115.22 114.66 1x50 n HIS 134 Ca 0.11 -0.09 -0.28 0.00 -0.00 0.00 0.00 57.72 57.46 1x50 n HIS 134 Cb 0.39 -2.70 -0.10 0.00 -0.00 0.00 0.00 29.99 27.58 1x50 n HIS 134 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1x50 n ARG 135 N 7.37 0.59 -3.25 -0.41 1.74 -1.26 -4.86 116.66 116.58 1x50 n ARG 135 Ca 0.25 0.33 -0.43 0.00 -0.77 0.00 0.00 57.85 57.22 1x50 n ARG 135 Cb 0.34 -1.55 -0.08 0.00 -1.02 0.00 0.00 32.46 30.15 1x50 n ARG 135 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1x50 s LEU 136 N -7.55 4.83 0.47 0.55 2.96 -1.26 -4.93 118.68 113.76 1x50 s LEU 136 Ca -0.36 -0.67 0.27 0.00 -0.22 0.00 0.00 54.13 53.15 1x50 s LEU 136 Cb 0.13 -2.46 1.33 0.00 0.50 0.00 0.00 46.19 45.68 1x50 s LEU 136 CO 0.52 -0.68 1.79 0.77 -1.32 0.00 0.00 176.35 177.44 1x50 h SER 137 N 8.81 0.22 -0.16 3.68 4.64 -2.00 0.58 113.55 129.32 1x50 h SER 137 Ca -0.26 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 1x50 h SER 137 Cb 1.10 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1x50 h SER 137 CO 0.85 0.04 0.09 0.00 -0.87 0.00 0.00 176.83 176.94 1x50 n ALA 138 N -2.62 2.97 -0.25 5.18 0.00 -1.26 -4.36 120.51 120.17 1x50 n ALA 138 Ca 0.25 -0.46 0.21 0.00 0.00 0.00 0.00 53.44 53.44 1x50 n ALA 138 Cb 1.04 -1.07 0.54 0.00 0.00 0.00 0.00 19.45 19.96 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 0.26 0.49 0.00 0.00 -0.00 -0.20 0.44 116.94 117.93 1x50 h PHE 139 Ca 0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 58.07 1x50 h PHE 139 Cb 1.22 -0.15 -0.00 0.00 -0.00 0.00 0.00 35.95 37.02 1x50 h PHE 139 CO 0.25 0.12 -0.02 -0.56 -0.00 0.00 0.00 178.31 178.10 1x50 h GLN 140 N 0.36 0.00 -0.32 6.09 -0.00 -1.76 -1.69 115.11 117.78 1x50 h GLN 140 Ca 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.99 1x50 h GLN 140 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.75 1x50 h GLN 140 CO -0.17 0.02 -0.36 0.00 -0.00 0.00 0.00 178.83 178.32 1x50 h ARG 141 N 0.00 0.73 -5.54 0.06 3.08 -0.42 -3.15 114.38 109.14 1x50 h ARG 141 Ca -0.00 -0.36 -0.58 0.00 0.07 0.00 0.00 59.98 59.10 1x50 h ARG 141 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1x50 h ARG 141 CO 0.00 0.98 1.57 0.28 -1.07 0.00 0.00 179.97 181.73 1x50 n VAL 142 N -4.05 0.03 -1.91 2.04 0.31 -0.64 -4.42 118.33 109.69 1x50 n VAL 142 Ca -0.01 -0.22 0.05 0.00 -0.01 0.00 0.00 64.34 64.15 1x50 n VAL 142 Cb 0.51 -1.22 0.13 0.00 -0.91 0.00 0.00 33.84 32.35 1x50 n VAL 142 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1x50 n ASP 143 N 10.82 1.43 -3.63 4.52 9.92 -1.18 -2.75 116.55 135.68 1x50 n ASP 143 Ca 0.52 -3.12 -0.26 0.00 -0.53 0.00 0.00 54.79 51.40 1x50 n ASP 143 Cb 0.16 -0.43 -0.17 0.00 -0.64 0.00 0.00 41.12 40.04 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x50 s THR 144 N -1.95 -0.00 -0.38 -3.53 2.01 -0.35 -0.47 115.64 110.96 1x50 s THR 144 Ca 0.35 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 1x50 s THR 144 Cb 0.36 -0.60 0.07 0.00 0.01 0.00 0.00 72.50 72.34 1x50 s THR 144 CO -0.10 -0.23 0.18 -0.22 -0.69 0.00 0.00 174.62 173.57 1x50 s LEU 145 N 2.10 4.83 0.14 4.42 2.96 0.13 -0.90 118.68 132.36 1x50 s LEU 145 Ca 0.02 -1.49 0.06 0.00 -0.22 0.00 0.00 54.13 52.50 1x50 s LEU 145 Cb -0.16 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1x50 s LEU 145 CO -0.08 -0.46 -0.01 -1.83 -1.32 0.00 0.00 176.35 172.65 1x50 s GLU 146 N 1.34 2.44 -0.06 1.98 -1.05 -0.91 0.01 118.70 122.46 1x50 s GLU 146 Ca 0.02 -0.99 -0.02 0.00 -0.15 0.00 0.00 54.97 53.82 1x50 s GLU 146 Cb -0.22 -2.43 0.03 0.00 -0.44 0.00 0.00 34.13 31.08 1x50 s GLU 146 CO 0.01 0.49 0.06 0.42 0.95 0.00 0.00 175.26 177.19 1x50 s ILE 147 N -1.52 -0.10 0.36 1.83 1.01 -0.50 -2.50 121.20 119.78 1x50 s ILE 147 Ca 0.26 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1x50 s ILE 147 Cb -0.10 -0.21 -0.06 0.00 0.01 0.00 0.00 42.46 42.10 1x50 s ILE 147 CO 0.18 0.12 0.06 0.00 0.00 0.00 0.00 174.94 175.30 1x50 s GLN 148 N 2.16 1.76 0.00 2.79 0.00 -1.02 -1.33 119.66 124.02 1x50 s GLN 148 Ca 0.05 -2.00 0.00 0.00 -0.00 0.00 0.00 55.36 53.40 1x50 s GLN 148 Cb -0.13 -0.98 0.00 0.00 0.00 0.00 0.00 33.01 31.91 1x50 s GLN 148 CO -0.04 -0.21 0.00 0.41 0.00 0.00 0.00 175.29 175.45 1x50 n GLY 149 N -0.78 -0.08 3.21 2.60 0.00 -1.26 -1.20 105.19 107.68 1x50 n GLY 149 Ca -0.04 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 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 5.92 -0.03 1.61 1.11 -1.05 -4.92 116.67 115.31 1x50 s ASP 150 Ca 0.00 -2.62 -0.16 0.00 0.18 0.00 0.00 52.55 49.95 1x50 s ASP 150 Cb 0.00 -2.02 0.03 0.00 1.07 0.00 0.00 42.92 41.99 1x50 s ASP 150 CO 0.00 -0.51 0.34 0.54 1.18 0.00 0.00 175.17 176.72 1x50 s VAL 151 N 0.28 0.05 -0.56 -1.27 0.11 -1.26 -4.03 120.40 113.72 1x50 s VAL 151 Ca 0.15 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1x50 s VAL 151 Cb -0.18 -0.63 0.15 0.00 -1.53 0.00 0.00 36.38 34.19 1x50 s VAL 151 CO -0.05 -0.22 0.40 -0.89 -3.33 0.00 0.00 175.10 171.01 1x50 s THR 152 N -1.21 3.97 0.08 5.04 2.01 0.02 -4.92 115.64 120.64 1x50 s THR 152 Ca -0.12 -2.41 -0.30 0.00 0.31 0.00 0.00 61.69 59.16 1x50 s THR 152 Cb -0.05 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1x50 s THR 152 CO 0.04 -0.83 1.08 -0.76 -0.69 0.00 0.00 174.62 173.46 1x50 s LEU 153 N 0.58 4.42 -0.03 4.42 1.43 -1.26 0.36 118.68 128.60 1x50 s LEU 153 Ca 0.12 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.15 1x50 s LEU 153 Cb -0.21 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1x50 s LEU 153 CO -0.04 -0.29 -0.01 -1.20 0.23 0.00 0.00 176.35 175.05 1x50 n SER 154 N 3.34 4.12 -3.69 2.29 7.64 0.06 -3.94 113.62 123.44 1x50 n SER 154 Ca 0.06 -0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.82 1x50 n SER 154 Cb 0.48 0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.92 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 -2.07 -0.66 -0.14 1.43 6.14 -0.60 -2.13 117.35 119.32 1x50 s TYR 155 Ca -0.03 1.41 -0.04 0.00 0.64 0.00 0.00 57.07 59.05 1x50 s TYR 155 Cb 0.01 0.31 0.05 0.00 0.42 0.00 0.00 41.96 42.75 1x50 s TYR 155 CO 0.10 -0.35 0.08 0.08 0.64 0.00 0.00 175.55 176.09 1x50 s VAL 156 N 1.22 -0.04 -0.04 3.14 1.01 -1.20 -0.96 120.40 123.53 1x50 s VAL 156 Ca -0.08 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1x50 s VAL 156 Cb -0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1x50 s VAL 156 CO -0.11 -0.17 -0.19 -1.58 0.00 0.00 0.00 175.10 173.05 1x50 s GLN 157 N 2.12 1.83 -0.70 2.72 0.74 -1.19 -2.57 119.66 122.62 1x50 s GLN 157 Ca 0.02 -0.67 -0.08 0.00 0.05 0.00 0.00 55.36 54.69 1x50 s GLN 157 Cb -0.15 -1.63 0.18 0.00 1.10 0.00 0.00 33.01 32.51 1x50 s GLN 157 CO -0.08 0.31 0.57 0.42 -0.55 0.00 0.00 175.29 175.96 1x50 s ILE 158 N -0.12 4.51 0.14 -2.34 1.01 -1.26 -2.38 121.20 120.76 1x50 s ILE 158 Ca -0.01 -2.72 -0.33 0.00 0.00 0.00 0.00 60.65 57.60 1x50 s ILE 158 Cb -0.11 -3.86 -0.17 0.00 0.01 0.00 0.00 42.46 38.33 1x50 s ILE 158 CO 0.02 -0.94 0.89 -0.24 0.00 0.00 0.00 174.94 174.67 1x50 n SER 159 N 3.74 0.01 0.00 3.58 2.88 -0.38 -4.91 113.62 118.54 1x50 n SER 159 Ca 0.10 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1x50 n SER 159 Cb 0.42 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1x50 n SER 159 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 160 N 1.81 1.69 3.76 0.46 0.00 -1.26 -3.64 105.19 108.01 1x50 n GLY 160 Ca 0.17 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 4.45 0.67 1.61 0.04 -1.26 -5.03 135.00 133.48 1x50 s PRO 161 Ca 0.00 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.00 1x50 s PRO 161 Cb 0.00 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1x50 s PRO 161 CO 0.00 -0.08 1.04 -1.12 0.04 0.00 0.00 177.00 176.88 1x50 s SER 162 N -0.44 5.53 -1.36 6.66 0.01 -1.26 -4.15 113.70 118.69 1x50 s SER 162 Ca 0.49 1.04 -0.08 0.00 1.31 0.00 0.00 55.95 58.71 1x50 s SER 162 Cb -0.37 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 63.98 1x50 s SER 162 CO 0.46 -1.24 1.12 -1.20 0.41 0.00 0.00 173.24 172.79 1x50 n SER 163 N -2.88 -5.40 0.00 2.44 7.64 -1.26 -5.29 113.62 108.87 1x50 n SER 163 Ca 0.06 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1x50 n SER 163 Cb 0.57 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 1x50 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64