#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 -2.14 -4.63 1.61 3.41 -1.26 -4.79 113.62 105.83 1x50 n SER 2 Ca 0.00 -1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 57.06 1x50 n SER 2 Cb 0.00 -2.24 -0.03 0.00 -0.26 0.00 0.00 64.21 61.68 1x50 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x50 s SER 3 N -3.46 6.06 0.19 4.04 0.01 -1.26 -4.92 113.70 114.37 1x50 s SER 3 Ca 0.65 1.99 -0.23 0.00 1.31 0.00 0.00 55.95 59.67 1x50 s SER 3 Cb -0.37 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.40 1x50 s SER 3 CO 0.97 -1.46 0.94 -0.83 0.41 0.00 0.00 173.24 173.26 1x50 s GLY 4 N 5.76 -0.10 -0.10 3.44 0.00 -1.26 -5.18 107.32 109.87 1x50 s GLY 4 Ca 0.86 -0.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.34 1x50 s GLY 4 CO 0.35 0.41 0.41 -0.56 0.00 0.00 0.00 173.10 173.70 1x50 s SER 5 N -3.04 -0.38 0.04 1.64 0.01 -1.26 -5.08 113.70 105.64 1x50 s SER 5 Ca 0.14 0.60 -0.14 0.00 1.31 0.00 0.00 55.95 57.86 1x50 s SER 5 Cb -0.02 0.66 -0.06 0.00 0.21 0.00 0.00 66.02 66.81 1x50 s SER 5 CO 0.04 -0.28 1.22 0.77 0.41 0.00 0.00 173.24 175.41 1x50 h SER 6 N 4.79 -0.68 -2.98 2.44 4.64 -2.03 -3.49 113.55 116.24 1x50 h SER 6 Ca -0.28 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1x50 h SER 6 Cb 1.18 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1x50 h SER 6 CO 0.30 -0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1x50 n GLY 7 N -1.19 -3.18 4.09 -0.77 0.00 -1.26 -4.64 105.19 98.25 1x50 n GLY 7 Ca -0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1x50 n GLY 7 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1x50 n HIS 8 N 0.02 -1.07 -0.07 1.61 -0.00 -1.26 -4.80 115.22 109.64 1x50 n HIS 8 Ca 0.00 0.55 -0.15 0.00 -0.00 0.00 0.00 57.72 58.12 1x50 n HIS 8 Cb 0.00 -2.21 -0.05 0.00 -0.00 0.00 0.00 29.99 27.73 1x50 n HIS 8 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1x50 n GLN 9 N -3.97 0.38 -3.83 -1.40 0.00 -1.26 -4.94 117.38 102.36 1x50 n GLN 9 Ca -0.18 0.16 -0.36 0.00 -0.00 0.00 0.00 57.00 56.62 1x50 n GLN 9 Cb 0.55 -1.15 -0.13 0.00 0.00 0.00 0.00 30.24 29.51 1x50 n GLN 9 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1x50 s GLN 10 N -2.44 2.47 0.26 3.69 -1.52 -1.26 -5.08 119.66 115.77 1x50 s GLN 10 Ca -0.24 -1.29 -0.26 0.00 -1.95 0.00 0.00 55.36 51.63 1x50 s GLN 10 Cb 0.07 -3.33 -0.17 0.00 -0.22 0.00 0.00 33.01 29.36 1x50 s GLN 10 CO 0.31 -0.68 0.41 1.28 -0.25 0.00 0.00 175.29 176.36 1x50 n LEU 11 N 4.70 -1.65 0.00 2.90 4.77 -1.26 -4.91 117.00 121.55 1x50 n LEU 11 Ca -0.12 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1x50 n LEU 11 Cb 0.44 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1x50 n LEU 11 CO 0.29 -3.30 -0.44 0.59 -1.33 0.00 0.00 177.39 173.20 1x50 n ASN 12 N 2.08 1.77 -3.24 -1.43 3.02 -1.26 -5.11 115.26 111.09 1x50 n ASN 12 Ca 0.16 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.56 1x50 n ASN 12 Cb 0.29 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1x50 n ASN 12 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1x50 n SER 13 N -2.65 2.59 -4.55 6.41 3.41 -1.26 -5.16 113.62 112.40 1x50 n SER 13 Ca 0.00 -2.01 -0.25 0.00 -0.26 0.00 0.00 58.87 56.35 1x50 n SER 13 Cb 0.44 0.15 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 1x50 n SER 13 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1x50 s LEU 14 N 0.00 2.88 1.05 1.04 2.34 -1.26 -5.14 118.68 119.59 1x50 s LEU 14 Ca 0.01 -0.73 -0.14 0.00 0.06 0.00 0.00 54.13 53.33 1x50 s LEU 14 Cb -0.00 -1.48 0.21 0.00 -0.56 0.00 0.00 46.19 44.36 1x50 s LEU 14 CO 0.01 0.06 1.10 -2.16 -1.06 0.00 0.00 176.35 174.30 1x50 s PRO 15 N -3.19 0.01 0.48 1.48 0.04 -1.26 -5.02 135.00 127.55 1x50 s PRO 15 Ca 0.27 0.38 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 1x50 s PRO 15 Cb -0.07 -1.70 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 1x50 s PRO 15 CO 0.16 -2.98 1.00 -0.08 0.04 0.00 0.00 177.00 175.14 1x50 s THR 16 N -2.97 4.08 -0.25 1.26 -1.32 -1.26 -4.94 115.64 110.24 1x50 s THR 16 Ca 0.67 1.23 0.00 0.00 -1.21 0.00 0.00 61.69 62.38 1x50 s THR 16 Cb -0.17 -3.53 0.24 0.00 -1.51 0.00 0.00 72.50 67.54 1x50 s THR 16 CO 0.57 -0.34 1.75 0.23 -2.21 0.00 0.00 174.62 174.62 1x50 n MET 17 N -1.02 1.66 -0.49 7.08 2.81 -1.26 -4.96 117.12 120.95 1x50 n MET 17 Ca 0.08 -1.40 -0.28 0.00 -1.81 0.00 0.00 57.70 54.29 1x50 n MET 17 Cb 0.53 -1.55 0.26 0.00 -0.71 0.00 0.00 33.22 31.75 1x50 n MET 17 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1x50 s GLU 18 N -1.58 -1.04 0.96 0.03 -1.05 -1.26 -4.78 118.70 109.97 1x50 s GLU 18 Ca 0.27 0.89 0.00 0.00 -0.15 0.00 0.00 54.97 55.98 1x50 s GLU 18 Cb 0.22 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.37 1x50 s GLU 18 CO 0.02 -3.82 0.00 0.41 0.95 0.00 0.00 175.26 172.82 1x50 n GLY 19 N 0.96 0.17 3.69 -3.83 0.00 -1.26 -4.97 105.19 99.94 1x50 n GLY 19 Ca 0.03 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 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 0.61 1.21 1.61 0.04 -1.26 -5.05 135.00 132.16 1x50 s PRO 20 Ca 0.00 0.59 -0.19 0.00 0.04 0.00 0.00 61.00 61.44 1x50 s PRO 20 Cb 0.00 -1.75 0.29 0.00 0.04 0.00 0.00 34.50 33.08 1x50 s PRO 20 CO 0.00 -2.63 1.11 -1.25 0.04 0.00 0.00 177.00 174.27 1x50 s PRO 21 N -4.96 -1.26 0.16 0.56 0.04 -1.26 -5.03 135.00 123.25 1x50 s PRO 21 Ca 0.65 -0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.46 1x50 s PRO 21 Cb -0.18 -1.59 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 1x50 s PRO 21 CO 0.57 -3.74 0.57 0.99 0.04 0.00 0.00 177.00 175.44 1x50 s THR 22 N -3.01 4.83 -0.05 1.26 2.01 -1.18 -5.02 115.64 114.48 1x50 s THR 22 Ca 0.71 0.87 -0.04 0.00 0.31 0.00 0.00 61.69 63.54 1x50 s THR 22 Cb -0.09 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1x50 s THR 22 CO 0.56 0.23 0.12 -0.36 -0.69 0.00 0.00 174.62 174.48 1x50 s PHE 23 N -1.49 -0.13 -1.51 4.92 0.40 -1.26 -3.39 117.98 115.51 1x50 s PHE 23 Ca 0.39 0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 57.02 1x50 s PHE 23 Cb -0.15 0.00 0.04 0.00 0.51 0.00 0.00 43.02 43.42 1x50 s PHE 23 CO 0.19 -0.09 0.37 0.09 0.70 0.00 0.00 175.22 176.49 1x50 n ASN 24 N 3.34 -0.52 -4.76 1.36 4.13 -0.34 -4.88 115.26 113.59 1x50 n ASN 24 Ca -0.16 -1.09 -0.41 0.00 1.68 0.00 0.00 54.58 54.60 1x50 n ASN 24 Cb 0.57 -2.55 -0.03 0.00 -1.54 0.00 0.00 39.78 36.23 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 -6.87 4.45 0.96 3.52 0.04 -1.24 -5.01 135.00 130.84 1x50 s PRO 25 Ca 0.16 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 1x50 s PRO 25 Cb -0.09 -3.13 0.24 0.00 0.04 0.00 0.00 34.50 31.56 1x50 s PRO 25 CO 0.93 -0.06 0.85 -0.35 0.04 0.00 0.00 177.00 178.41 1x50 n PRO 26 N 1.17 -2.69 -3.80 0.56 -0.04 -1.26 -4.49 135.00 124.45 1x50 n PRO 26 Ca 0.00 -1.36 -0.13 0.00 -0.04 0.00 0.00 63.50 61.98 1x50 n PRO 26 Cb 0.43 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.53 -0.02 0.44 0.52 1.01 -1.26 -3.12 120.40 115.44 1x50 s VAL 27 Ca 0.55 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 1x50 s VAL 27 Cb -0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 36.38 36.04 1x50 s VAL 27 CO 0.42 0.02 1.18 -2.16 0.00 0.00 0.00 175.10 174.56 1x50 s PRO 28 N 0.43 3.87 -0.34 2.72 0.04 -1.26 -5.05 135.00 135.41 1x50 s PRO 28 Ca -0.03 1.82 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 1x50 s PRO 28 Cb -0.04 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 1x50 s PRO 28 CO -0.02 -0.47 0.31 -0.47 0.04 0.00 0.00 177.00 176.39 1x50 s TYR 29 N -1.48 3.22 -0.50 0.56 6.14 -0.12 -4.91 117.35 120.25 1x50 s TYR 29 Ca 0.61 -0.11 -0.16 0.00 0.64 0.00 0.00 57.07 58.05 1x50 s TYR 29 Cb -0.30 -2.59 0.09 0.00 0.42 0.00 0.00 41.96 39.58 1x50 s TYR 29 CO 0.37 -0.40 0.46 -0.06 0.64 0.00 0.00 175.55 176.55 1x50 s PHE 30 N 1.89 3.22 -0.34 4.97 0.08 -1.26 -1.42 117.98 125.13 1x50 s PHE 30 Ca 0.09 -1.04 0.02 0.00 0.12 0.00 0.00 56.93 56.12 1x50 s PHE 30 Cb -0.17 -3.46 0.09 0.00 -0.57 0.00 0.00 43.02 38.92 1x50 s PHE 30 CO 0.11 -0.91 0.06 0.20 -0.10 0.00 0.00 175.22 174.58 1x50 s GLY 31 N 3.01 1.90 0.04 4.36 0.00 -0.24 -5.00 107.32 111.39 1x50 s GLY 31 Ca 0.05 -2.37 -0.30 0.00 0.00 0.00 0.00 44.72 42.09 1x50 s GLY 31 CO 0.06 0.89 1.24 1.09 0.00 0.00 0.00 173.10 176.38 1x50 s ARG 32 N 1.01 4.39 0.50 2.90 1.04 -1.26 -1.40 118.95 126.12 1x50 s ARG 32 Ca 0.06 1.81 -0.20 0.00 -1.04 0.00 0.00 55.73 56.36 1x50 s ARG 32 Cb -0.20 -3.41 -0.08 0.00 -2.04 0.00 0.00 34.95 29.23 1x50 s ARG 32 CO -0.06 -0.35 1.06 -0.51 -0.04 0.00 0.00 175.30 175.39 1x50 s LEU 33 N 1.46 3.81 -0.50 -1.89 1.43 0.53 -4.75 118.68 118.77 1x50 s LEU 33 Ca 0.59 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 1x50 s LEU 33 Cb -0.30 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.49 1x50 s LEU 33 CO 0.28 -0.88 0.39 -1.10 0.23 0.00 0.00 176.35 175.27 1x50 s GLN 34 N -3.29 2.61 0.00 1.70 -1.52 -1.26 -4.59 119.66 113.32 1x50 s GLN 34 Ca 0.68 -1.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.31 1x50 s GLN 34 Cb -0.18 -4.02 0.00 0.00 -0.22 0.00 0.00 33.01 28.59 1x50 s GLN 34 CO 0.22 -1.23 0.00 0.41 -0.25 0.00 0.00 175.29 174.44 1x50 n GLY 35 N 4.95 3.21 0.00 3.09 0.00 -1.26 -4.98 105.19 110.19 1x50 n GLY 35 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 2.55 3.55 -0.02 0.00 -1.26 -4.92 105.19 105.10 1x50 n GLY 36 Ca 0.00 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 1x50 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x50 s LEU 37 N 0.00 3.29 0.27 0.99 1.43 -0.81 -4.93 118.68 118.92 1x50 s LEU 37 Ca 0.00 0.79 0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1x50 s LEU 37 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1x50 s LEU 37 CO 0.00 -3.04 0.11 0.42 0.23 0.00 0.00 176.35 174.07 1x50 s THR 38 N 12.47 3.84 0.54 5.49 -4.23 -1.26 -4.04 115.64 128.45 1x50 s THR 38 Ca 0.94 -1.65 0.22 0.00 -1.18 0.00 0.00 61.69 60.02 1x50 s THR 38 Cb -0.16 -3.11 0.33 0.00 1.34 0.00 0.00 72.50 70.90 1x50 s THR 38 CO 0.22 -0.34 2.12 0.00 -0.54 0.00 0.00 174.62 176.08 1x50 h ALA 39 N 1.65 2.03 -0.91 3.99 0.00 -1.76 -1.28 119.26 122.98 1x50 h ALA 39 Ca -0.46 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.83 1x50 h ALA 39 Cb 1.25 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.73 1x50 h ALA 39 CO 0.61 -0.21 0.37 0.54 0.00 0.00 0.00 179.25 180.55 1x50 n ARG 40 N -4.28 2.88 -5.13 0.00 3.00 -1.26 -4.51 116.66 107.37 1x50 n ARG 40 Ca 0.01 -3.51 -0.32 0.00 -0.01 0.00 0.00 57.85 54.02 1x50 n ARG 40 Cb 0.26 -2.26 -0.15 0.00 0.00 0.00 0.00 32.46 30.30 1x50 n ARG 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1x50 s ARG 41 N -3.72 2.48 -0.05 5.56 3.52 -0.48 -4.17 118.95 122.08 1x50 s ARG 41 Ca 0.60 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 55.35 1x50 s ARG 41 Cb 0.48 -2.23 0.03 0.00 -1.56 0.00 0.00 34.95 31.67 1x50 s ARG 41 CO 0.01 0.49 0.04 0.99 -0.81 0.00 0.00 175.30 176.02 1x50 s THR 42 N -0.42 0.07 -0.08 4.11 2.01 -1.07 -0.93 115.64 119.33 1x50 s THR 42 Ca 0.04 0.30 -0.15 0.00 0.31 0.00 0.00 61.69 62.20 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 0.02 0.20 0.37 -0.63 -0.69 0.00 0.00 174.62 173.88 1x50 s ILE 43 N 2.01 5.18 -0.03 1.82 1.09 0.20 -1.83 121.20 129.64 1x50 s ILE 43 Ca 0.04 0.73 0.05 0.00 -1.10 0.00 0.00 60.65 60.37 1x50 s ILE 43 Cb -0.12 -3.69 -0.01 0.00 -1.06 0.00 0.00 42.46 37.58 1x50 s ILE 43 CO -0.04 0.47 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.46 1x50 s ILE 44 N -0.26 1.51 -0.20 2.92 1.01 -1.22 0.84 121.20 125.80 1x50 s ILE 44 Ca 0.21 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1x50 s ILE 44 Cb -0.15 -1.27 0.07 0.00 0.01 0.00 0.00 42.46 41.12 1x50 s ILE 44 CO 0.09 0.43 0.09 -0.63 0.00 0.00 0.00 174.94 174.92 1x50 s ILE 45 N -0.29 0.04 -0.32 2.92 1.01 0.12 -3.71 121.20 120.96 1x50 s ILE 45 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 1x50 s ILE 45 Cb -0.09 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.66 1x50 s ILE 45 CO 0.00 -0.37 0.08 -0.54 0.00 0.00 0.00 174.94 174.11 1x50 s LYS 46 N 2.07 2.72 0.00 2.79 1.02 0.14 -1.63 119.74 126.85 1x50 s LYS 46 Ca 0.03 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1x50 s LYS 46 Cb -0.16 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1x50 s LYS 46 CO -0.15 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.09 1x50 n GLY 47 N 4.80 5.40 3.61 -3.33 0.00 -1.21 -0.91 105.19 113.55 1x50 n GLY 47 Ca -0.13 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 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 1.46 -0.55 -0.33 1.61 6.14 0.24 -3.36 117.35 122.56 1x50 s TYR 48 Ca 0.00 1.08 -0.29 0.00 0.64 0.00 0.00 57.07 58.51 1x50 s TYR 48 Cb 0.00 0.33 0.02 0.00 0.42 0.00 0.00 41.96 42.73 1x50 s TYR 48 CO 0.00 -0.27 1.06 0.08 0.64 0.00 0.00 175.55 177.06 1x50 s VAL 49 N 1.47 4.50 0.68 3.14 1.01 -1.19 -0.93 120.40 129.08 1x50 s VAL 49 Ca -0.08 1.67 -0.14 0.00 0.00 0.00 0.00 61.98 63.42 1x50 s VAL 49 Cb -0.04 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.93 1x50 s VAL 49 CO -0.15 -0.51 1.11 -2.16 0.00 0.00 0.00 175.10 173.39 1x50 s PRO 50 N 3.67 2.71 0.23 2.72 0.04 -1.26 0.10 135.00 143.21 1x50 s PRO 50 Ca 0.45 1.36 0.22 0.00 0.04 0.00 0.00 61.00 63.07 1x50 s PRO 50 Cb -0.12 -1.94 0.94 0.00 0.04 0.00 0.00 34.50 33.42 1x50 s PRO 50 CO 0.16 -1.31 1.68 -0.35 0.04 0.00 0.00 177.00 177.22 1x50 n PRO 51 N -2.59 0.17 -0.29 0.56 -0.04 -1.26 -2.22 135.00 129.32 1x50 n PRO 51 Ca 0.10 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 64.04 1x50 n PRO 51 Cb 0.52 -1.83 0.20 0.00 -0.04 0.00 0.00 33.50 32.35 1x50 n PRO 51 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x50 n THR 52 N -2.15 1.73 -3.90 0.52 -2.24 -1.26 -4.94 114.28 102.05 1x50 n THR 52 Ca 0.02 -1.55 -0.35 0.00 -2.27 0.00 0.00 64.05 59.90 1x50 n THR 52 Cb 0.22 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.63 1.63 0.05 3.38 0.00 -0.94 -5.02 107.32 104.79 1x50 s GLY 53 Ca 0.32 -1.23 -0.27 0.00 0.00 0.00 0.00 44.72 43.54 1x50 s GLY 53 CO 0.10 0.46 1.41 0.50 0.00 0.00 0.00 173.10 175.57 1x50 h LYS 54 N 8.11 -0.86 -1.63 2.90 1.57 -1.87 -3.44 116.57 121.35 1x50 h LYS 54 Ca -0.39 0.06 0.26 0.00 -1.87 0.00 0.00 60.65 58.70 1x50 h LYS 54 Cb 1.15 0.20 -0.15 0.00 0.08 0.00 0.00 32.23 33.51 1x50 h LYS 54 CO 0.60 -0.57 0.75 -1.54 -0.57 0.00 0.00 179.45 178.12 1x50 s SER 55 N -3.57 -0.14 0.17 0.86 1.04 -1.26 -4.27 113.70 106.54 1x50 s SER 55 Ca -0.14 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1x50 s SER 55 Cb 0.02 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1x50 s SER 55 CO 0.43 -0.36 0.01 2.22 0.98 0.00 0.00 173.24 176.53 1x50 n PHE 56 N -0.28 0.25 -3.68 5.02 -1.74 -1.25 -1.16 117.46 114.61 1x50 n PHE 56 Ca -0.04 -0.85 -0.13 0.00 -0.56 0.00 0.00 57.45 55.87 1x50 n PHE 56 Cb 0.60 -0.12 -0.09 0.00 1.52 0.00 0.00 39.48 41.40 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 -2.29 -1.39 -0.32 1.98 0.00 -0.33 -3.69 121.76 115.71 1x50 s ALA 57 Ca 0.01 1.63 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1x50 s ALA 57 Cb -0.00 -0.95 0.08 0.00 0.00 0.00 0.00 23.12 22.25 1x50 s ALA 57 CO 0.01 -0.27 0.03 0.42 0.00 0.00 0.00 175.76 175.94 1x50 s ILE 58 N 0.45 2.59 0.04 0.00 1.09 0.11 -2.41 121.20 123.08 1x50 s ILE 58 Ca -0.01 -1.91 0.02 0.00 -1.10 0.00 0.00 60.65 57.64 1x50 s ILE 58 Cb -0.04 -2.70 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 1x50 s ILE 58 CO -0.01 -0.37 0.07 0.20 -0.10 0.00 0.00 174.94 174.73 1x50 s ASN 59 N 1.20 5.55 -0.33 3.58 0.01 -1.03 -1.71 114.94 122.22 1x50 s ASN 59 Ca 0.02 0.05 0.04 0.00 -0.71 0.00 0.00 52.86 52.25 1x50 s ASN 59 Cb -0.20 -1.53 0.10 0.00 0.41 0.00 0.00 41.25 40.03 1x50 s ASN 59 CO -0.05 0.22 0.03 -0.36 -1.51 0.00 0.00 177.10 175.43 1x50 s PHE 60 N -1.29 3.56 0.45 2.20 0.40 -0.00 -1.97 117.98 121.32 1x50 s PHE 60 Ca 0.26 -2.83 0.03 0.00 -0.60 0.00 0.00 56.93 53.79 1x50 s PHE 60 Cb -0.12 -2.72 0.01 0.00 0.51 0.00 0.00 43.02 40.70 1x50 s PHE 60 CO 0.18 -0.93 0.64 0.21 0.70 0.00 0.00 175.22 176.02 1x50 s LYS 61 N 0.98 2.87 -0.27 0.44 2.20 -0.52 -1.27 119.74 124.16 1x50 s LYS 61 Ca 0.09 -0.81 -0.11 0.00 -0.36 0.00 0.00 55.97 54.77 1x50 s LYS 61 Cb -0.19 -2.62 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 1x50 s LYS 61 CO -0.09 -0.34 0.18 0.08 -0.36 0.00 0.00 175.35 174.82 1x50 s VAL 62 N -2.51 5.28 0.25 4.02 1.01 -0.52 -0.70 120.40 127.23 1x50 s VAL 62 Ca 0.52 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 1x50 s VAL 62 Cb -0.10 -3.50 0.23 0.00 0.00 0.00 0.00 36.38 33.01 1x50 s VAL 62 CO 0.36 0.27 1.86 1.23 0.00 0.00 0.00 175.10 178.82 1x50 h GLY 63 N 8.18 1.38 0.00 4.51 0.00 -1.81 0.16 103.07 115.49 1x50 h GLY 63 Ca -0.36 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1x50 h GLY 63 CO 0.57 0.27 0.00 -1.26 0.00 0.00 0.00 176.54 176.13 1x50 n SER 64 N -4.59 0.00 0.00 0.19 2.88 -1.26 -4.59 113.62 106.25 1x50 n SER 64 Ca 0.14 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1x50 n SER 64 Cb 0.19 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1x50 n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x50 n SER 65 N -1.67 0.00 0.00 -3.46 2.88 -1.22 -5.05 113.62 105.10 1x50 n SER 65 Ca 0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1x50 n SER 65 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 2.04 0.59 3.48 0.46 0.00 0.56 -4.96 105.19 107.36 1x50 n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.88 3.96 -0.21 1.61 1.01 -1.26 -4.67 116.67 116.23 1x50 s ASP 67 Ca 0.00 -0.34 -0.21 0.00 0.71 0.00 0.00 52.55 52.70 1x50 s ASP 67 Cb 0.00 -0.72 -0.02 0.00 1.01 0.00 0.00 42.92 43.19 1x50 s ASP 67 CO 0.00 0.27 0.65 -0.63 0.21 0.00 0.00 175.17 175.68 1x50 s ILE 68 N -0.90 4.99 -0.12 0.77 1.01 0.96 -1.43 121.20 126.48 1x50 s ILE 68 Ca 0.15 1.22 0.05 0.00 0.00 0.00 0.00 60.65 62.07 1x50 s ILE 68 Cb -0.11 -3.96 -0.24 0.00 0.01 0.00 0.00 42.46 38.16 1x50 s ILE 68 CO 0.05 0.08 0.36 0.00 0.00 0.00 0.00 174.94 175.43 1x50 n ALA 69 N 5.24 1.27 -3.71 9.38 0.00 -0.40 -1.95 120.51 130.34 1x50 n ALA 69 Ca -0.00 -0.83 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 1x50 n ALA 69 Cb 0.49 -0.60 -0.16 0.00 0.00 0.00 0.00 19.45 19.18 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 -6.40 1.15 -0.37 0.00 2.96 -1.26 -4.51 118.68 110.25 1x50 s LEU 70 Ca -0.15 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1x50 s LEU 70 Cb 0.07 -0.12 0.13 0.00 0.50 0.00 0.00 46.19 46.77 1x50 s LEU 70 CO 0.78 -0.11 0.20 -2.28 -1.32 0.00 0.00 176.35 173.61 1x50 s HIS 71 N 1.01 1.32 -0.05 5.38 5.65 0.59 -0.82 115.29 128.36 1x50 s HIS 71 Ca -0.09 -1.89 -0.14 0.00 0.25 0.00 0.00 55.06 53.19 1x50 s HIS 71 Cb -0.13 -1.40 -0.05 0.00 -1.18 0.00 0.00 32.58 29.82 1x50 s HIS 71 CO -0.02 -0.82 0.37 0.42 -0.65 0.00 0.00 174.74 174.04 1x50 s ILE 72 N 0.95 5.13 -0.22 0.89 1.01 -0.70 -0.17 121.20 128.09 1x50 s ILE 72 Ca 0.16 0.75 -0.04 0.00 0.00 0.00 0.00 60.65 61.51 1x50 s ILE 72 Cb -0.22 -3.68 0.09 0.00 0.01 0.00 0.00 42.46 38.65 1x50 s ILE 72 CO -0.06 0.53 0.15 0.21 0.00 0.00 0.00 174.94 175.78 1x50 s ASN 73 N -0.69 2.40 0.66 3.58 3.04 0.11 0.08 114.94 124.12 1x50 s ASN 73 Ca 0.22 -0.73 -0.15 0.00 0.04 0.00 0.00 52.86 52.24 1x50 s ASN 73 Cb -0.16 -0.06 -0.00 0.00 -1.54 0.00 0.00 41.25 39.49 1x50 s ASN 73 CO 0.11 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.74 1x50 s PRO 74 N 2.19 2.82 -0.31 0.43 0.04 -1.24 -1.16 135.00 137.76 1x50 s PRO 74 Ca 0.06 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.49 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 -0.20 -1.24 0.08 1.03 0.04 0.00 0.00 177.00 176.71 1x50 s ARG 75 N -4.07 0.87 0.17 4.56 0.52 -1.23 -4.43 118.95 115.35 1x50 s ARG 75 Ca 0.67 -1.18 -0.13 0.00 -0.52 0.00 0.00 55.73 54.57 1x50 s ARG 75 Cb -0.21 -2.22 0.07 0.00 0.52 0.00 0.00 34.95 33.11 1x50 s ARG 75 CO 0.41 -0.95 1.76 0.52 0.02 0.00 0.00 175.30 177.06 1x50 h MET 76 N 8.01 0.82 0.00 3.54 2.86 -1.84 -0.67 114.93 127.64 1x50 h MET 76 Ca -0.12 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1x50 h MET 76 Cb 1.02 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1x50 h MET 76 CO 0.47 0.66 0.00 0.41 1.06 0.00 0.00 176.91 179.52 1x50 n GLY 77 N -0.95 -1.32 0.40 8.32 0.00 -1.26 -4.25 105.19 106.13 1x50 n GLY 77 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.41 0.00 1.61 -1.24 -2.01 -3.47 115.58 109.07 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 0.60 0.00 0.00 0.73 0.00 0.00 38.32 39.65 1x50 h ASN 78 CO 0.00 -0.39 0.00 0.61 -1.29 0.00 0.00 177.43 176.36 1x50 n GLY 79 N -1.42 0.98 2.88 1.57 0.00 -0.26 -5.10 105.19 103.84 1x50 n GLY 79 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.92 -0.24 -0.44 2.61 -4.23 -1.23 -4.92 115.64 105.27 1x50 s THR 80 Ca 0.00 0.31 -0.24 0.00 -1.18 0.00 0.00 61.69 60.58 1x50 s THR 80 Cb 0.00 -0.31 0.02 0.00 1.34 0.00 0.00 72.50 73.56 1x50 s THR 80 CO 0.00 0.13 0.85 -0.69 -0.54 0.00 0.00 174.62 174.37 1x50 s VAL 81 N 2.11 4.58 0.18 2.29 1.01 -1.26 -3.50 120.40 125.82 1x50 s VAL 81 Ca 0.01 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 1x50 s VAL 81 Cb -0.12 -4.35 -0.08 0.00 0.00 0.00 0.00 36.38 31.83 1x50 s VAL 81 CO -0.06 -0.71 0.83 -0.69 0.00 0.00 0.00 175.10 174.47 1x50 s VAL 82 N 3.47 4.29 -0.10 2.92 1.01 -0.31 -4.28 120.40 127.38 1x50 s VAL 82 Ca 0.34 1.82 0.01 0.00 0.00 0.00 0.00 61.98 64.15 1x50 s VAL 82 Cb -0.11 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1x50 s VAL 82 CO 0.23 0.51 -0.13 -0.13 0.00 0.00 0.00 175.10 175.58 1x50 s ARG 83 N -1.12 1.95 0.32 2.72 3.00 0.76 0.06 118.95 126.64 1x50 s ARG 83 Ca 0.37 -0.45 0.05 0.00 0.00 0.00 0.00 55.73 55.70 1x50 s ARG 83 Cb -0.24 -1.74 -0.02 0.00 0.00 0.00 0.00 34.95 32.96 1x50 s ARG 83 CO 0.28 -0.11 0.18 0.09 0.00 0.00 0.00 175.30 175.73 1x50 n ASN 84 N 4.36 0.33 -3.15 0.23 4.13 0.76 -0.17 115.26 121.75 1x50 n ASN 84 Ca -0.18 -2.85 0.04 0.00 1.68 0.00 0.00 54.58 53.27 1x50 n ASN 84 Cb 0.51 1.13 -0.01 0.00 -1.54 0.00 0.00 39.78 39.88 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 -3.05 -1.50 -0.27 6.41 0.15 -1.26 0.22 113.70 114.39 1x50 s SER 85 Ca 0.25 0.53 -0.29 0.00 0.70 0.00 0.00 55.95 57.14 1x50 s SER 85 Cb 0.01 2.10 0.00 0.00 -1.71 0.00 0.00 66.02 66.42 1x50 s SER 85 CO 0.18 -0.28 1.22 -0.22 1.20 0.00 0.00 173.24 175.34 1x50 s LEU 86 N 2.85 3.97 0.38 3.45 2.96 -0.82 -0.27 118.68 131.19 1x50 s LEU 86 Ca 0.15 1.27 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 1x50 s LEU 86 Cb -0.12 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 1x50 s LEU 86 CO -0.23 -0.94 0.57 -0.76 -1.32 0.00 0.00 176.35 173.67 1x50 s LEU 87 N 3.93 3.90 -0.88 -0.68 1.43 0.70 -0.03 118.68 127.05 1x50 s LEU 87 Ca 0.52 0.31 -0.33 0.00 -1.03 0.00 0.00 54.13 53.60 1x50 s LEU 87 Cb -0.16 -3.18 -0.21 0.00 0.03 0.00 0.00 46.19 42.67 1x50 s LEU 87 CO 0.18 -0.44 2.58 0.59 0.23 0.00 0.00 176.35 179.49 1x50 n ASN 88 N -1.85 0.48 0.00 2.29 3.02 -1.26 0.20 115.26 118.14 1x50 n ASN 88 Ca -0.02 0.25 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 6.67 0.29 3.53 7.41 0.00 -1.26 -4.91 105.19 116.91 1x50 n GLY 89 Ca 0.63 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 -2.26 2.94 0.17 1.61 0.15 0.55 -5.17 113.70 111.69 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 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1x50 s SER 90 CO 0.00 -0.63 -0.13 0.26 1.20 0.00 0.00 173.24 173.94 1x50 s TRP 91 N -3.11 1.50 0.00 3.44 0.52 -1.26 0.25 118.94 120.29 1x50 s TRP 91 Ca 0.32 -0.63 0.00 0.00 0.02 0.00 0.00 56.10 55.82 1x50 s TRP 91 Cb 0.08 -0.74 0.00 0.00 -1.15 0.00 0.00 33.47 31.66 1x50 s TRP 91 CO 0.15 0.22 0.00 0.41 0.02 0.00 0.00 176.95 177.75 1x50 n GLY 92 N -0.09 1.02 3.61 0.98 0.00 0.63 -4.73 105.19 106.61 1x50 n GLY 92 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.11 -0.28 1.61 0.01 -1.26 -4.97 113.70 107.70 1x50 s SER 93 Ca 0.00 -0.08 -0.21 0.00 1.31 0.00 0.00 55.95 56.97 1x50 s SER 93 Cb 0.00 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 1x50 s SER 93 CO 0.00 -0.31 0.69 -1.61 0.41 0.00 0.00 173.24 172.42 1x50 s GLU 94 N -2.49 4.02 -0.19 12.44 8.01 -1.26 -3.94 118.70 135.29 1x50 s GLU 94 Ca 0.11 0.52 -0.01 0.00 0.01 0.00 0.00 54.97 55.60 1x50 s GLU 94 Cb 0.02 -3.69 0.00 0.00 -4.31 0.00 0.00 34.13 26.15 1x50 s GLU 94 CO -0.04 -0.54 -0.13 -1.21 0.01 0.00 0.00 175.26 173.35 1x50 s GLU 95 N 2.68 3.19 -0.15 1.61 0.41 0.76 -4.90 118.70 122.30 1x50 s GLU 95 Ca 0.28 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 1x50 s GLU 95 Cb -0.15 -2.76 0.03 0.00 -1.78 0.00 0.00 34.13 29.47 1x50 s GLU 95 CO 0.10 -0.16 -0.12 0.15 -0.49 0.00 0.00 175.26 174.74 1x50 s LYS 96 N 1.27 2.07 -0.30 1.61 1.02 -1.26 -0.17 119.74 123.98 1x50 s LYS 96 Ca 0.03 -0.56 -0.09 0.00 0.02 0.00 0.00 55.97 55.38 1x50 s LYS 96 Cb -0.14 -2.07 0.18 0.00 -0.52 0.00 0.00 37.83 35.28 1x50 s LYS 96 CO -0.07 -0.29 0.92 0.21 -0.92 0.00 0.00 175.35 175.20 1x50 s LYS 97 N 1.52 0.29 0.00 1.68 2.47 -1.26 -5.06 119.74 119.38 1x50 s LYS 97 Ca 0.04 0.48 -0.12 0.00 -1.56 0.00 0.00 55.97 54.80 1x50 s LYS 97 Cb -0.14 0.26 0.01 0.00 -1.46 0.00 0.00 37.83 36.51 1x50 s LYS 97 CO -0.10 -0.36 0.25 -1.50 0.16 0.00 0.00 175.35 173.80 1x50 s ILE 98 N 2.92 0.07 -0.17 5.43 2.07 -1.26 -4.69 121.20 125.58 1x50 s ILE 98 Ca 0.08 -0.62 -0.11 0.00 -1.41 0.00 0.00 60.65 58.59 1x50 s ILE 98 Cb -0.10 -0.64 -0.22 0.00 0.13 0.00 0.00 42.46 41.62 1x50 s ILE 98 CO -0.16 -0.34 0.22 1.07 -1.91 0.00 0.00 174.94 173.82 1x50 n THR 99 N 1.16 1.66 -3.72 4.00 5.66 -1.24 -4.94 114.28 116.86 1x50 n THR 99 Ca -0.21 -0.43 -0.14 0.00 -3.05 0.00 0.00 64.05 60.23 1x50 n THR 99 Cb 0.57 -1.82 -0.14 0.00 -1.55 0.00 0.00 70.33 67.39 1x50 n THR 99 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1x50 s HIS 100 N -2.49 -0.26 -0.53 1.09 -3.43 -1.26 -5.11 115.29 103.30 1x50 s HIS 100 Ca -0.27 0.67 -0.11 0.00 -0.80 0.00 0.00 55.06 54.55 1x50 s HIS 100 Cb 0.07 -0.05 0.13 0.00 -1.43 0.00 0.00 32.58 31.30 1x50 s HIS 100 CO 0.68 -0.23 0.43 1.21 -2.00 0.00 0.00 174.74 174.83 1x50 s ASN 101 N 1.49 5.90 0.19 7.38 3.84 -1.26 -4.89 114.94 127.60 1x50 s ASN 101 Ca -0.06 -2.01 -0.04 0.00 0.21 0.00 0.00 52.86 50.95 1x50 s ASN 101 Cb -0.11 -2.07 0.12 0.00 -0.55 0.00 0.00 41.25 38.64 1x50 s ASN 101 CO -0.07 -0.71 1.55 1.55 -2.79 0.00 0.00 177.10 176.63 1x50 h PRO 102 N 8.42 0.68 -5.39 0.43 0.13 -1.99 -3.45 132.00 130.83 1x50 h PRO 102 Ca -0.19 -0.36 -0.72 0.00 -0.87 0.00 0.00 66.00 63.86 1x50 h PRO 102 Cb 1.07 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1x50 h PRO 102 CO 0.89 0.97 1.03 1.19 -0.23 0.00 0.00 178.00 181.84 1x50 n PHE 103 N -4.03 1.19 -4.00 1.56 3.72 -1.26 -4.91 117.46 109.74 1x50 n PHE 103 Ca -0.02 0.79 -0.15 0.00 -0.05 0.00 0.00 57.45 58.02 1x50 n PHE 103 Cb 0.54 -2.04 -0.15 0.00 -0.94 0.00 0.00 39.48 36.89 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 4.63 0.15 -0.61 1.37 0.00 -1.26 -4.71 107.32 106.89 1x50 s GLY 104 Ca 1.04 -0.06 -0.27 0.00 0.00 0.00 0.00 44.72 45.44 1x50 s GLY 104 CO 0.63 0.04 1.86 2.56 0.00 0.00 0.00 173.10 178.19 1x50 s PRO 105 N 0.15 2.64 0.00 2.90 0.04 -1.26 -2.21 135.00 137.26 1x50 s PRO 105 Ca -0.01 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1x50 s PRO 105 Cb -0.04 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1x50 s PRO 105 CO -0.00 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.73 1x50 n GLY 106 N 5.69 0.96 3.06 0.56 0.00 0.12 -4.56 105.19 111.02 1x50 n GLY 106 Ca 0.20 0.00 -0.14 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 0.00 0.56 1.07 1.61 -2.07 -0.94 -4.97 119.66 114.93 1x50 s GLN 107 Ca 0.00 -0.71 -0.14 0.00 -1.82 0.00 0.00 55.36 52.70 1x50 s GLN 107 Cb 0.00 -0.39 0.23 0.00 -1.09 0.00 0.00 33.01 31.76 1x50 s GLN 107 CO 0.00 0.08 1.08 -0.06 -1.32 0.00 0.00 175.29 175.07 1x50 s PHE 108 N -1.19 1.71 -0.29 9.60 0.40 -1.26 -3.14 117.98 123.80 1x50 s PHE 108 Ca -0.07 0.93 -0.13 0.00 -0.60 0.00 0.00 56.93 57.05 1x50 s PHE 108 Cb -0.09 -3.26 0.11 0.00 0.51 0.00 0.00 43.02 40.30 1x50 s PHE 108 CO 0.01 -3.28 0.71 -0.59 0.70 0.00 0.00 175.22 172.77 1x50 s PHE 109 N -2.87 -1.14 -0.49 0.36 -0.12 -1.21 -4.79 117.98 107.72 1x50 s PHE 109 Ca 0.67 2.10 -0.16 0.00 -0.05 0.00 0.00 56.93 59.49 1x50 s PHE 109 Cb -0.19 0.68 0.08 0.00 -0.63 0.00 0.00 43.02 42.97 1x50 s PHE 109 CO 0.59 -0.56 0.43 0.34 -0.05 0.00 0.00 175.22 175.96 1x50 s ASP 110 N 2.25 6.16 -0.12 1.98 2.15 -1.26 -3.35 116.67 124.48 1x50 s ASP 110 Ca -0.08 -1.35 -0.05 0.00 0.43 0.00 0.00 52.55 51.51 1x50 s ASP 110 Cb -0.08 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1x50 s ASP 110 CO -0.19 -0.70 0.05 -0.22 -0.17 0.00 0.00 175.17 173.93 1x50 s LEU 111 N 1.73 3.80 -0.17 -1.34 1.98 -0.65 -1.60 118.68 122.44 1x50 s LEU 111 Ca 0.05 0.19 -0.04 0.00 -2.89 0.00 0.00 54.13 51.43 1x50 s LEU 111 Cb -0.25 -1.91 0.08 0.00 0.66 0.00 0.00 46.19 44.77 1x50 s LEU 111 CO 0.07 0.32 0.21 -0.44 -1.89 0.00 0.00 176.35 174.62 1x50 s SER 112 N -0.52 1.10 -0.09 3.68 0.01 -0.25 0.12 113.70 117.75 1x50 s SER 112 Ca 0.10 0.02 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 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 0.28 -0.63 0.41 0.00 0.00 173.24 173.02 1x50 s ILE 113 N 2.33 5.28 -0.08 1.44 1.09 0.25 -0.28 121.20 131.23 1x50 s ILE 113 Ca 0.05 0.53 -0.00 0.00 -1.10 0.00 0.00 60.65 60.13 1x50 s ILE 113 Cb -0.14 -3.58 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 1x50 s ILE 113 CO -0.10 0.54 -0.06 -0.13 -0.10 0.00 0.00 174.94 175.09 1x50 s ARG 114 N -0.63 2.93 -0.25 2.79 0.52 0.26 0.61 118.95 125.17 1x50 s ARG 114 Ca 0.18 -0.54 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 1x50 s ARG 114 Cb -0.14 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 1x50 s ARG 114 CO 0.07 0.59 0.09 0.00 0.02 0.00 0.00 175.30 176.07 1x50 n GLY 116 N 4.93 4.38 0.02 0.00 0.00 -1.17 -4.06 105.19 109.29 1x50 n GLY 116 Ca -0.16 -1.65 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 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 2.42 -0.05 0.99 4.77 -1.26 -4.18 117.00 119.69 1x50 n LEU 117 Ca 0.00 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 1x50 n LEU 117 Cb 0.00 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1x50 n LEU 117 CO 0.00 0.46 -0.63 -0.78 -1.33 0.00 0.00 177.39 175.11 1x50 h ASP 118 N 0.00 0.19 -2.62 -1.43 3.58 -1.98 -3.49 116.42 110.67 1x50 h ASP 118 Ca -0.07 -0.70 -0.06 0.00 0.42 0.00 0.00 57.03 56.61 1x50 h ASP 118 Cb 1.12 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1x50 h ASP 118 CO -0.01 1.65 0.13 0.54 -2.88 0.00 0.00 179.24 178.67 1x50 n ARG 119 N -4.03 0.75 -3.89 0.28 1.74 -1.26 -3.63 116.66 106.62 1x50 n ARG 119 Ca -0.32 -1.69 -0.21 0.00 -0.77 0.00 0.00 57.85 54.86 1x50 n ARG 119 Cb 0.84 1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 34.24 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 -3.98 3.15 -0.25 -1.55 0.40 -0.68 -3.05 117.98 112.02 1x50 s PHE 120 Ca 0.13 -0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1x50 s PHE 120 Cb -0.03 -1.64 0.08 0.00 0.51 0.00 0.00 43.02 41.94 1x50 s PHE 120 CO 0.10 0.33 0.07 0.15 0.70 0.00 0.00 175.22 176.57 1x50 s LYS 121 N -3.97 0.62 -0.00 0.44 1.02 -0.67 -2.90 119.74 114.28 1x50 s LYS 121 Ca 0.37 -0.67 -0.19 0.00 0.02 0.00 0.00 55.97 55.50 1x50 s LYS 121 Cb -0.08 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1x50 s LYS 121 CO 0.27 -0.81 0.53 0.08 -0.92 0.00 0.00 175.35 174.50 1x50 s VAL 122 N 1.80 4.94 0.03 3.17 1.01 -0.92 -0.58 120.40 129.85 1x50 s VAL 122 Ca 0.04 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.19 1x50 s VAL 122 Cb -0.17 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1x50 s VAL 122 CO -0.18 0.47 -0.20 -0.31 0.00 0.00 0.00 175.10 174.88 1x50 s TYR 123 N -0.48 1.78 -0.24 5.22 2.02 0.62 -1.20 117.35 125.07 1x50 s TYR 123 Ca 0.28 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1x50 s TYR 123 Cb -0.18 -1.09 0.07 0.00 -0.40 0.00 0.00 41.96 40.37 1x50 s TYR 123 CO 0.16 0.06 0.03 0.00 -1.57 0.00 0.00 175.55 174.22 1x50 s ALA 124 N -0.71 1.45 -1.52 3.71 0.00 0.55 -1.09 121.76 124.15 1x50 s ALA 124 Ca 0.07 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 1x50 s ALA 124 Cb -0.08 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.66 1x50 s ALA 124 CO 0.01 -1.33 0.68 0.09 0.00 0.00 0.00 175.76 175.21 1x50 n ASN 125 N 4.87 -6.01 -0.73 0.00 3.02 -0.63 -2.42 115.26 113.37 1x50 n ASN 125 Ca -0.07 -0.33 -0.02 0.00 -0.03 0.00 0.00 54.58 54.13 1x50 n ASN 125 Cb 0.45 -4.84 0.01 0.00 -0.61 0.00 0.00 39.78 34.78 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 -1.57 0.84 3.10 7.41 0.00 -1.26 -5.07 105.19 108.64 1x50 n GLY 126 Ca -0.09 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -5.03 0.26 -0.55 1.61 -0.21 -1.02 -5.10 119.66 109.61 1x50 s GLN 127 Ca 0.04 0.43 -0.26 0.00 0.02 0.00 0.00 55.36 55.58 1x50 s GLN 127 Cb -0.02 0.03 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 1x50 s GLN 127 CO 0.05 -0.09 2.02 -1.58 -2.12 0.00 0.00 175.29 173.57 1x50 s HIS 128 N 0.63 1.49 -0.00 0.91 5.65 -1.26 -0.33 115.29 122.37 1x50 s HIS 128 Ca -0.04 1.00 -0.03 0.00 0.25 0.00 0.00 55.06 56.24 1x50 s HIS 128 Cb -0.05 -3.94 -0.02 0.00 -1.18 0.00 0.00 32.58 27.39 1x50 s HIS 128 CO -0.04 -2.43 0.59 1.25 -0.65 0.00 0.00 174.74 173.46 1x50 h LEU 129 N 17.18 -0.09 -7.83 8.88 5.85 -1.49 -3.45 115.31 134.36 1x50 h LEU 129 Ca -0.26 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1x50 h LEU 129 Cb 1.19 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.19 1x50 h LEU 129 CO 1.19 -0.03 0.39 0.72 -0.34 0.00 0.00 178.44 180.37 1x50 s PHE 130 N -2.36 -0.12 0.24 1.25 -0.12 -1.24 -3.63 117.98 112.01 1x50 s PHE 130 Ca -0.02 -0.28 0.08 0.00 -0.05 0.00 0.00 56.93 56.67 1x50 s PHE 130 Cb 0.00 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 1x50 s PHE 130 CO 0.05 -1.03 0.05 0.16 -0.05 0.00 0.00 175.22 174.39 1x50 s ASP 131 N -2.98 4.85 -0.27 1.98 -4.77 -1.26 -2.16 116.67 112.06 1x50 s ASP 131 Ca 0.13 -0.49 -0.00 0.00 -3.30 0.00 0.00 52.55 48.89 1x50 s ASP 131 Cb -0.03 -1.03 0.08 0.00 -1.09 0.00 0.00 42.92 40.85 1x50 s ASP 131 CO 0.05 0.01 0.04 0.12 0.70 0.00 0.00 175.17 176.09 1x50 s PHE 132 N -2.14 1.93 0.28 2.11 5.36 -1.14 -4.95 117.98 119.42 1x50 s PHE 132 Ca 0.31 -1.68 -0.30 0.00 -0.96 0.00 0.00 56.93 54.30 1x50 s PHE 132 Cb -0.07 -1.65 -0.11 0.00 -0.34 0.00 0.00 43.02 40.84 1x50 s PHE 132 CO 0.21 -0.80 1.50 0.00 -1.46 0.00 0.00 175.22 174.67 1x50 s ALA 133 N 1.55 3.67 -0.30 11.12 0.00 -1.26 -1.69 121.76 134.83 1x50 s ALA 133 Ca 0.04 1.45 -0.28 0.00 0.00 0.00 0.00 51.96 53.17 1x50 s ALA 133 Cb -0.18 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 1x50 s ALA 133 CO -0.15 -0.87 2.11 -1.01 0.00 0.00 0.00 175.76 175.84 1x50 s HIS 134 N -0.15 1.36 -0.18 0.00 0.09 -1.24 -4.84 115.29 110.33 1x50 s HIS 134 Ca 0.60 0.71 -0.21 0.00 -0.00 0.00 0.00 55.06 56.16 1x50 s HIS 134 Cb -0.45 -3.95 -0.21 0.00 -0.00 0.00 0.00 32.58 27.98 1x50 s HIS 134 CO 0.47 -3.48 0.32 0.00 -0.00 0.00 0.00 174.74 172.06 1x50 h ARG 135 N 15.05 0.04 -5.08 1.40 3.08 -1.90 -3.44 114.38 123.53 1x50 h ARG 135 Ca -0.36 -0.07 -0.68 0.00 0.07 0.00 0.00 59.98 58.94 1x50 h ARG 135 Cb 1.22 0.03 -0.17 0.00 0.08 0.00 0.00 29.97 31.12 1x50 h ARG 135 CO 1.02 1.03 0.01 -1.17 -1.07 0.00 0.00 179.97 179.79 1x50 s LEU 136 N -7.82 4.79 0.41 3.04 2.96 -1.26 -4.93 118.68 115.87 1x50 s LEU 136 Ca -0.26 -0.67 0.22 0.00 -0.22 0.00 0.00 54.13 53.20 1x50 s LEU 136 Cb 0.05 -2.52 1.20 0.00 0.50 0.00 0.00 46.19 45.41 1x50 s LEU 136 CO 0.63 -0.78 1.74 -1.28 -1.32 0.00 0.00 176.35 175.34 1x50 h SER 137 N 8.89 0.38 -0.17 3.68 0.87 -2.01 0.49 113.55 125.68 1x50 h SER 137 Ca -0.26 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.29 1x50 h SER 137 Cb 1.10 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.05 1x50 h SER 137 CO 0.90 0.02 0.13 0.00 -0.53 0.00 0.00 176.83 177.34 1x50 n ALA 138 N -2.50 3.49 -0.30 6.23 0.00 -1.26 -4.44 120.51 121.73 1x50 n ALA 138 Ca 0.28 -0.54 0.21 0.00 0.00 0.00 0.00 53.44 53.39 1x50 n ALA 138 Cb 1.02 -1.10 0.50 0.00 0.00 0.00 0.00 19.45 19.88 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 0.51 0.64 -0.57 0.00 -0.00 -0.38 0.20 116.94 117.34 1x50 h PHE 139 Ca 0.11 0.02 0.09 0.00 -0.00 0.00 0.00 57.97 58.19 1x50 h PHE 139 Cb 1.21 -0.19 -0.07 0.00 -0.00 0.00 0.00 35.95 36.89 1x50 h PHE 139 CO 0.33 0.10 0.17 -0.56 -0.00 0.00 0.00 178.31 178.35 1x50 h GLN 140 N 0.42 0.32 -0.92 6.09 3.07 -1.78 -1.08 115.11 121.24 1x50 h GLN 140 Ca 0.56 -0.02 0.20 0.00 0.09 0.00 0.00 58.65 59.48 1x50 h GLN 140 Cb 1.37 -0.07 -0.11 0.00 0.08 0.00 0.00 27.48 28.75 1x50 h GLN 140 CO -0.26 0.21 0.47 0.00 0.09 0.00 0.00 178.83 179.34 1x50 h ARG 141 N 0.33 0.53 -5.29 0.06 3.08 -1.27 -2.16 114.38 109.66 1x50 h ARG 141 Ca 0.29 -0.03 -0.49 0.00 0.07 0.00 0.00 59.98 59.82 1x50 h ARG 141 Cb 0.38 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1x50 h ARG 141 CO -0.33 0.35 1.70 0.28 -1.07 0.00 0.00 179.97 180.90 1x50 n VAL 142 N -4.93 -0.03 -1.63 2.04 0.31 -0.41 -4.31 118.33 109.38 1x50 n VAL 142 Ca 0.22 -0.35 0.06 0.00 -0.01 0.00 0.00 64.34 64.26 1x50 n VAL 142 Cb 0.60 -1.51 0.14 0.00 -0.91 0.00 0.00 33.84 32.16 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 12.79 1.62 -3.96 4.52 5.68 -1.19 -2.19 116.55 133.82 1x50 n ASP 143 Ca 0.53 -3.21 -0.21 0.00 -0.50 0.00 0.00 54.79 51.40 1x50 n ASP 143 Cb 0.25 -0.44 -0.16 0.00 -1.14 0.00 0.00 41.12 39.64 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 -2.34 0.78 -0.27 2.12 2.01 0.12 0.20 115.64 118.27 1x50 s THR 144 Ca 0.32 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.02 1x50 s THR 144 Cb 0.31 -0.74 0.08 0.00 0.01 0.00 0.00 72.50 72.16 1x50 s THR 144 CO -0.05 0.27 0.03 -0.22 -0.69 0.00 0.00 174.62 173.96 1x50 s LEU 145 N 0.61 2.50 0.12 4.42 2.96 -0.49 -1.44 118.68 127.35 1x50 s LEU 145 Ca -0.10 -1.42 0.05 0.00 -0.22 0.00 0.00 54.13 52.44 1x50 s LEU 145 Cb -0.13 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1x50 s LEU 145 CO 0.01 -0.34 0.01 -1.83 -1.32 0.00 0.00 176.35 172.89 1x50 s GLU 146 N 1.49 2.55 -0.08 1.98 -1.05 -0.83 -1.08 118.70 121.68 1x50 s GLU 146 Ca 0.03 -0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 53.93 1x50 s GLU 146 Cb -0.18 -2.51 0.03 0.00 -0.44 0.00 0.00 34.13 31.03 1x50 s GLU 146 CO -0.14 0.51 0.03 0.42 0.95 0.00 0.00 175.26 177.03 1x50 s ILE 147 N -1.45 0.24 0.36 1.83 1.01 -0.51 -2.45 121.20 120.24 1x50 s ILE 147 Ca 0.27 0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.06 1x50 s ILE 147 Cb -0.11 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1x50 s ILE 147 CO 0.19 0.15 0.08 0.00 0.00 0.00 0.00 174.94 175.37 1x50 s GLN 148 N 2.02 1.77 0.00 2.79 0.00 -1.01 -0.94 119.66 124.29 1x50 s GLN 148 Ca 0.04 -2.03 0.00 0.00 -0.00 0.00 0.00 55.36 53.37 1x50 s GLN 148 Cb -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 33.01 32.10 1x50 s GLN 148 CO -0.05 -0.31 0.00 0.41 0.00 0.00 0.00 175.29 175.34 1x50 n GLY 149 N -0.79 -0.05 3.20 2.60 0.00 -1.26 -1.18 105.19 107.70 1x50 n GLY 149 Ca -0.04 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 5.82 0.04 1.61 1.01 -0.31 -4.91 116.67 115.94 1x50 s ASP 150 Ca 0.00 -2.57 -0.15 0.00 0.71 0.00 0.00 52.55 50.54 1x50 s ASP 150 Cb 0.00 -2.00 0.03 0.00 1.01 0.00 0.00 42.92 41.95 1x50 s ASP 150 CO 0.00 -0.51 0.35 0.54 0.21 0.00 0.00 175.17 175.75 1x50 s VAL 151 N 0.36 0.07 -0.52 -1.27 0.11 -1.26 -3.86 120.40 114.03 1x50 s VAL 151 Ca 0.14 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.59 1x50 s VAL 151 Cb -0.19 -0.95 0.14 0.00 -1.53 0.00 0.00 36.38 33.85 1x50 s VAL 151 CO -0.04 -0.33 0.30 -0.89 -3.33 0.00 0.00 175.10 170.81 1x50 s THR 152 N -2.54 3.24 0.08 5.04 2.01 -0.11 -4.95 115.64 118.42 1x50 s THR 152 Ca -0.05 -2.73 -0.30 0.00 0.31 0.00 0.00 61.69 58.92 1x50 s THR 152 Cb -0.01 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1x50 s THR 152 CO -0.03 -0.79 0.99 -0.76 -0.69 0.00 0.00 174.62 173.35 1x50 s LEU 153 N 0.31 4.45 -0.03 4.42 1.43 -1.26 0.79 118.68 128.78 1x50 s LEU 153 Ca 0.14 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1x50 s LEU 153 Cb -0.22 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 1x50 s LEU 153 CO -0.03 -0.17 -0.03 -1.20 0.23 0.00 0.00 176.35 175.14 1x50 n SER 154 N 3.21 3.43 -3.77 2.29 7.64 -0.09 -3.73 113.62 122.60 1x50 n SER 154 Ca 0.04 -0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.76 1x50 n SER 154 Cb 0.49 -0.06 -0.16 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.01 -0.23 1.43 6.14 -0.13 -1.20 117.35 121.30 1x50 s TYR 155 Ca -0.05 0.17 -0.04 0.00 0.64 0.00 0.00 57.07 57.79 1x50 s TYR 155 Cb 0.01 -0.22 0.08 0.00 0.42 0.00 0.00 41.96 42.25 1x50 s TYR 155 CO 0.08 -0.10 0.12 0.08 0.64 0.00 0.00 175.55 176.37 1x50 s VAL 156 N 1.08 -0.10 -0.16 3.14 1.01 -1.22 -0.69 120.40 123.46 1x50 s VAL 156 Ca -0.09 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1x50 s VAL 156 Cb -0.13 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1x50 s VAL 156 CO -0.03 -0.48 -0.20 -1.58 0.00 0.00 0.00 175.10 172.81 1x50 s GLN 157 N 2.14 2.88 -0.84 2.72 0.74 -1.24 -3.11 119.66 122.95 1x50 s GLN 157 Ca 0.06 -0.79 -0.20 0.00 0.05 0.00 0.00 55.36 54.47 1x50 s GLN 157 Cb -0.16 -2.43 0.11 0.00 1.10 0.00 0.00 33.01 31.63 1x50 s GLN 157 CO -0.23 -0.14 1.07 0.42 -0.55 0.00 0.00 175.29 175.87 1x50 s ILE 158 N 1.14 4.58 0.40 -2.34 1.01 -1.26 -3.38 121.20 121.36 1x50 s ILE 158 Ca 0.00 -1.17 -0.26 0.00 0.00 0.00 0.00 60.65 59.22 1x50 s ILE 158 Cb -0.14 -4.75 -0.09 0.00 0.01 0.00 0.00 42.46 37.49 1x50 s ILE 158 CO -0.09 -1.49 1.30 -0.55 0.00 0.00 0.00 174.94 174.11 1x50 s SER 159 N 3.70 6.35 0.00 3.58 0.15 -0.76 -4.98 113.70 121.74 1x50 s SER 159 Ca 0.29 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.59 1x50 s SER 159 Cb -0.09 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1x50 s SER 159 CO -0.03 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.19 1x50 n GLY 160 N 0.67 0.93 3.76 9.45 0.00 -1.26 -2.59 105.19 116.15 1x50 n GLY 160 Ca 0.03 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 4.44 -0.13 1.61 0.04 -1.26 -5.04 135.00 132.67 1x50 s PRO 161 Ca 0.00 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1x50 s PRO 161 Cb 0.00 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1x50 s PRO 161 CO 0.00 -0.11 -0.20 0.45 0.04 0.00 0.00 177.00 177.18 1x50 s SER 162 N -0.28 2.90 -1.57 6.66 0.15 -1.26 -4.72 113.70 115.58 1x50 s SER 162 Ca 0.51 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 56.48 1x50 s SER 162 Cb -0.37 -1.33 0.10 0.00 -1.71 0.00 0.00 66.02 62.71 1x50 s SER 162 CO 0.45 0.07 0.83 -1.54 1.20 0.00 0.00 173.24 174.24 1x50 n SER 163 N 4.04 -3.48 0.00 5.45 3.41 -1.26 -5.32 113.62 116.47 1x50 n SER 163 Ca -0.20 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 1x50 n SER 163 Cb 0.52 -3.37 0.00 0.00 -0.26 0.00 0.00 64.21 61.10 1x50 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49