#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 -0.65 0.06 1.61 0.01 -1.26 -5.06 113.70 108.42 1x50 s SER 2 Ca 0.00 1.15 -0.25 0.00 1.31 0.00 0.00 55.95 58.16 1x50 s SER 2 Cb 0.00 1.09 -0.16 0.00 0.21 0.00 0.00 66.02 67.16 1x50 s SER 2 CO 0.00 -0.20 1.61 0.28 0.41 0.00 0.00 173.24 175.34 1x50 h SER 3 N 6.16 -0.12 0.00 2.44 0.02 -2.01 -3.43 113.55 116.62 1x50 h SER 3 Ca -0.31 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1x50 h SER 3 Cb 1.19 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1x50 h SER 3 CO 0.19 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1x50 n GLY 4 N -0.88 0.78 3.36 -3.77 0.00 -1.26 -4.43 105.19 98.99 1x50 n GLY 4 Ca -0.08 0.56 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 1x50 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x50 n SER 5 N 2.44 -2.13 -4.66 1.61 7.64 -1.26 -4.75 113.62 112.51 1x50 n SER 5 Ca 0.00 -0.13 -0.55 0.00 1.01 0.00 0.00 58.87 59.20 1x50 n SER 5 Cb 0.00 -1.08 -0.07 0.00 -1.01 0.00 0.00 64.21 62.05 1x50 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x50 n SER 6 N -2.99 2.50 -0.32 6.43 2.88 -1.26 -4.82 113.62 116.04 1x50 n SER 6 Ca 0.02 0.95 -0.05 0.00 -1.33 0.00 0.00 58.87 58.45 1x50 n SER 6 Cb 0.59 -1.19 -0.03 0.00 -0.75 0.00 0.00 64.21 62.83 1x50 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x50 n GLY 7 N 4.68 -1.88 3.74 0.46 0.00 -1.26 -4.16 105.19 106.77 1x50 n GLY 7 Ca 0.29 0.93 -0.40 0.00 0.00 0.00 0.00 46.02 46.84 1x50 n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x50 s HIS 8 N -5.56 3.71 -0.07 1.61 0.00 -1.26 -5.06 115.29 108.64 1x50 s HIS 8 Ca -0.10 1.41 0.00 0.00 -3.00 0.00 0.00 55.06 53.37 1x50 s HIS 8 Cb 0.12 -2.79 -0.03 0.00 -4.00 0.00 0.00 32.58 25.88 1x50 s HIS 8 CO 0.53 0.26 -0.06 -0.65 -1.00 0.00 0.00 174.74 173.82 1x50 s GLN 9 N 0.04 2.82 -0.11 -0.38 -0.21 -1.26 -5.00 119.66 115.57 1x50 s GLN 9 Ca 0.38 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 55.25 1x50 s GLN 9 Cb -0.20 -2.63 0.25 0.00 1.00 0.00 0.00 33.01 31.43 1x50 s GLN 9 CO 0.22 0.64 1.10 0.00 -2.12 0.00 0.00 175.29 175.12 1x50 n GLN 10 N 2.30 1.87 -4.09 2.91 0.00 -1.26 -4.84 117.38 114.27 1x50 n GLN 10 Ca -0.18 -1.01 -0.09 0.00 0.00 0.00 0.00 57.00 55.72 1x50 n GLN 10 Cb 0.53 -1.58 -0.10 0.00 0.00 0.00 0.00 30.24 29.09 1x50 n GLN 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1x50 s LEU 11 N -0.99 2.44 -0.64 2.61 1.43 -1.26 -5.06 118.68 117.20 1x50 s LEU 11 Ca 0.18 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1x50 s LEU 11 Cb 0.15 0.07 0.40 0.00 0.03 0.00 0.00 46.19 46.83 1x50 s LEU 11 CO 0.04 -0.48 1.65 0.59 0.23 0.00 0.00 176.35 178.39 1x50 n ASN 12 N 0.42 6.38 -4.82 2.29 3.02 -1.26 -5.00 115.26 116.29 1x50 n ASN 12 Ca -0.16 -3.79 -0.30 0.00 -0.03 0.00 0.00 54.58 50.30 1x50 n ASN 12 Cb 0.59 -0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 1x50 n ASN 12 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x50 s SER 13 N -2.23 4.33 0.56 6.41 0.01 -1.26 -5.13 113.70 116.40 1x50 s SER 13 Ca 0.52 -1.50 -0.17 0.00 1.31 0.00 0.00 55.95 56.11 1x50 s SER 13 Cb 0.43 0.49 -0.05 0.00 0.21 0.00 0.00 66.02 67.10 1x50 s SER 13 CO -0.25 -0.96 1.06 -0.76 0.41 0.00 0.00 173.24 172.74 1x50 s LEU 14 N -4.04 3.60 0.00 2.44 1.43 -1.26 -5.06 118.68 115.79 1x50 s LEU 14 Ca 0.16 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1x50 s LEU 14 Cb 0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1x50 s LEU 14 CO 0.10 -1.07 0.00 -0.81 0.23 0.00 0.00 176.35 174.79 1x50 n PRO 15 N -1.71 -0.20 0.05 1.29 -0.04 -1.26 -4.95 135.00 128.17 1x50 n PRO 15 Ca 0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1x50 n PRO 15 Cb 0.53 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.25 1x50 n PRO 15 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1x50 n THR 16 N -1.70 0.29 -4.17 0.52 -1.04 -1.26 -4.75 114.28 102.16 1x50 n THR 16 Ca 0.00 -0.20 -0.37 0.00 -2.04 0.00 0.00 64.05 61.44 1x50 n THR 16 Cb 0.00 -0.15 -0.04 0.00 -1.82 0.00 0.00 70.33 68.32 1x50 n THR 16 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1x50 n MET 17 N -1.96 -0.82 -2.41 -2.82 0.00 -1.26 -4.85 117.12 103.00 1x50 n MET 17 Ca 0.04 0.12 -0.24 0.00 0.00 0.00 0.00 57.70 57.62 1x50 n MET 17 Cb 0.41 -3.21 0.09 0.00 0.00 0.00 0.00 33.22 30.51 1x50 n MET 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1x50 s GLU 18 N -7.31 1.84 0.00 3.17 1.03 -1.26 -4.93 118.70 111.24 1x50 s GLU 18 Ca 0.23 -0.73 0.00 0.00 0.03 0.00 0.00 54.97 54.50 1x50 s GLU 18 Cb -0.12 -2.26 0.00 0.00 -0.80 0.00 0.00 34.13 30.95 1x50 s GLU 18 CO 0.98 -1.38 0.00 0.41 -1.33 0.00 0.00 175.26 173.94 1x50 n GLY 19 N -2.88 1.02 3.67 -3.83 0.00 -1.26 -4.84 105.19 97.07 1x50 n GLY 19 Ca 0.12 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 0.28 1.04 1.61 0.04 -1.26 -5.04 135.00 131.66 1x50 s PRO 20 Ca 0.00 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 61.37 1x50 s PRO 20 Cb 0.00 -1.72 0.21 0.00 0.04 0.00 0.00 34.50 33.02 1x50 s PRO 20 CO 0.00 -2.82 1.09 -1.25 0.04 0.00 0.00 177.00 174.06 1x50 s PRO 21 N -4.98 0.11 0.52 0.56 0.04 -1.26 -5.05 135.00 124.95 1x50 s PRO 21 Ca 0.66 0.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 1x50 s PRO 21 Cb -0.18 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1x50 s PRO 21 CO 0.58 -2.92 0.82 -0.08 0.04 0.00 0.00 177.00 175.44 1x50 s THR 22 N -2.97 4.38 -0.11 1.26 -1.32 -1.21 -5.03 115.64 110.64 1x50 s THR 22 Ca 0.66 0.08 -0.04 0.00 -1.21 0.00 0.00 61.69 61.18 1x50 s THR 22 Cb -0.18 -3.69 0.05 0.00 -1.51 0.00 0.00 72.50 67.18 1x50 s THR 22 CO 0.58 -0.67 0.14 -0.36 -2.21 0.00 0.00 174.62 172.10 1x50 s PHE 23 N -2.82 -0.10 -1.07 9.09 0.40 -1.26 -4.23 117.98 117.98 1x50 s PHE 23 Ca 0.50 0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 57.17 1x50 s PHE 23 Cb -0.10 -0.37 -0.01 0.00 0.51 0.00 0.00 43.02 43.04 1x50 s PHE 23 CO 0.44 -0.35 0.90 0.09 0.70 0.00 0.00 175.22 177.00 1x50 n ASN 24 N 5.31 -2.98 -4.73 1.36 4.13 -0.98 -4.95 115.26 112.43 1x50 n ASN 24 Ca -0.05 -0.59 -0.41 0.00 1.68 0.00 0.00 54.58 55.21 1x50 n ASN 24 Cb 0.50 -4.76 -0.03 0.00 -1.54 0.00 0.00 39.78 33.95 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 -5.03 4.38 0.53 3.52 0.04 -1.25 -5.03 135.00 132.17 1x50 s PRO 25 Ca 0.09 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.09 1x50 s PRO 25 Cb -0.01 -3.21 0.13 0.00 0.04 0.00 0.00 34.50 31.45 1x50 s PRO 25 CO 0.67 -0.28 0.47 -0.35 0.04 0.00 0.00 177.00 177.55 1x50 n PRO 26 N 2.92 -1.94 -3.81 0.56 -0.04 -1.26 -4.40 135.00 127.03 1x50 n PRO 26 Ca 0.07 -0.75 -0.13 0.00 -0.04 0.00 0.00 63.50 62.66 1x50 n PRO 26 Cb 0.43 -0.70 -0.13 0.00 -0.04 0.00 0.00 33.50 33.06 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 -1.85 -0.01 0.43 0.52 1.01 -1.26 -3.24 120.40 116.01 1x50 s VAL 27 Ca 0.31 0.02 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 1x50 s VAL 27 Cb -0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 36.05 1x50 s VAL 27 CO 0.23 0.01 1.17 -2.16 0.00 0.00 0.00 175.10 174.36 1x50 s PRO 28 N 0.21 3.88 -0.31 2.72 0.04 -1.26 -5.04 135.00 135.24 1x50 s PRO 28 Ca -0.01 1.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1x50 s PRO 28 Cb -0.02 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1x50 s PRO 28 CO -0.01 -0.46 0.20 -0.47 0.04 0.00 0.00 177.00 176.31 1x50 s TYR 29 N -1.48 3.21 -0.42 0.56 6.14 0.61 -4.92 117.35 121.05 1x50 s TYR 29 Ca 0.61 -0.17 -0.11 0.00 0.64 0.00 0.00 57.07 58.04 1x50 s TYR 29 Cb -0.30 -2.42 0.07 0.00 0.42 0.00 0.00 41.96 39.73 1x50 s TYR 29 CO 0.37 -0.31 0.28 -0.06 0.64 0.00 0.00 175.55 176.47 1x50 s PHE 30 N 1.71 3.30 -0.35 4.97 0.40 -1.26 -0.52 117.98 126.23 1x50 s PHE 30 Ca 0.06 -1.27 0.00 0.00 -0.60 0.00 0.00 56.93 55.12 1x50 s PHE 30 Cb -0.17 -2.90 0.09 0.00 0.51 0.00 0.00 43.02 40.55 1x50 s PHE 30 CO 0.10 -0.80 0.07 0.20 0.70 0.00 0.00 175.22 175.50 1x50 s GLY 31 N 2.12 1.88 -0.28 4.36 0.00 0.17 -4.98 107.32 110.59 1x50 s GLY 31 Ca 0.03 -2.27 -0.29 0.00 0.00 0.00 0.00 44.72 42.19 1x50 s GLY 31 CO 0.04 0.88 1.48 1.09 0.00 0.00 0.00 173.10 176.59 1x50 s ARG 32 N 1.09 3.79 0.68 2.90 1.04 -1.26 -0.80 118.95 126.39 1x50 s ARG 32 Ca 0.04 1.40 -0.17 0.00 -1.04 0.00 0.00 55.73 55.96 1x50 s ARG 32 Cb -0.21 -3.98 0.00 0.00 -2.04 0.00 0.00 34.95 28.73 1x50 s ARG 32 CO -0.05 -1.29 1.21 1.28 -0.04 0.00 0.00 175.30 176.42 1x50 n LEU 33 N 8.28 5.30 -4.26 -1.89 4.77 0.33 -4.87 117.00 124.65 1x50 n LEU 33 Ca 0.17 0.77 -0.43 0.00 -0.03 0.00 0.00 56.01 56.49 1x50 n LEU 33 Cb 0.46 -1.52 -0.08 0.00 -2.33 0.00 0.00 43.42 39.96 1x50 n LEU 33 CO 0.65 -1.31 0.02 -1.10 -1.33 0.00 0.00 177.39 174.32 1x50 s GLN 34 N -3.44 2.69 0.00 3.23 1.11 -1.26 -4.59 119.66 117.40 1x50 s GLN 34 Ca 0.80 -1.67 0.00 0.00 0.01 0.00 0.00 55.36 54.50 1x50 s GLN 34 Cb -0.36 -4.03 0.00 0.00 -1.01 0.00 0.00 33.01 27.61 1x50 s GLN 34 CO 0.44 -1.18 0.00 0.41 0.01 0.00 0.00 175.29 174.96 1x50 n GLY 35 N 5.03 2.98 0.00 3.09 0.00 -1.26 -5.04 105.19 109.99 1x50 n GLY 35 Ca -0.10 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 2.36 3.56 -0.02 0.00 -1.26 -4.86 105.19 104.97 1x50 n GLY 36 Ca 0.00 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 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 2.53 -4.42 0.99 4.77 -0.32 -4.94 117.00 115.62 1x50 n LEU 37 Ca 0.00 -0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.47 1x50 n LEU 37 Cb 0.00 -1.54 -0.12 0.00 -2.33 0.00 0.00 43.42 39.43 1x50 n LEU 37 CO 0.00 -1.22 -0.55 0.42 -1.33 0.00 0.00 177.39 174.71 1x50 s THR 38 N 10.65 2.42 0.56 -5.08 -4.23 -1.26 -4.17 115.64 114.53 1x50 s THR 38 Ca 1.01 -1.70 0.27 0.00 -1.18 0.00 0.00 61.69 60.09 1x50 s THR 38 Cb -0.30 -2.09 0.38 0.00 1.34 0.00 0.00 72.50 71.83 1x50 s THR 38 CO 0.31 0.08 2.00 0.00 -0.54 0.00 0.00 174.62 176.48 1x50 h ALA 39 N 3.81 2.26 -0.93 3.99 0.00 -1.75 0.33 119.26 126.97 1x50 h ALA 39 Ca -0.51 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 53.78 1x50 h ALA 39 Cb 1.17 0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.69 1x50 h ALA 39 CO 0.41 -0.57 0.59 -2.13 0.00 0.00 0.00 179.25 177.56 1x50 n ARG 40 N -4.11 2.66 -4.65 0.00 3.00 -1.26 -4.61 116.66 107.68 1x50 n ARG 40 Ca 0.07 -3.33 -0.22 0.00 -0.00 0.00 0.00 57.85 54.37 1x50 n ARG 40 Cb 0.54 -2.24 -0.15 0.00 0.00 0.00 0.00 32.46 30.61 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 -3.67 1.17 -0.04 -0.14 3.52 0.11 -3.36 118.95 116.53 1x50 s ARG 41 Ca 0.61 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.70 1x50 s ARG 41 Cb 0.49 -1.12 0.03 0.00 -1.56 0.00 0.00 34.95 32.79 1x50 s ARG 41 CO 0.02 0.29 0.01 0.99 -0.81 0.00 0.00 175.30 175.80 1x50 s THR 42 N -0.28 0.19 -0.07 4.11 2.01 -1.25 -2.05 115.64 118.30 1x50 s THR 42 Ca 0.04 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 62.04 1x50 s THR 42 Cb -0.06 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1x50 s THR 42 CO -0.00 0.19 0.44 -0.63 -0.69 0.00 0.00 174.62 173.93 1x50 s ILE 43 N 1.55 5.12 -0.05 1.82 1.09 0.13 -2.36 121.20 128.50 1x50 s ILE 43 Ca -0.02 0.88 0.05 0.00 -1.10 0.00 0.00 60.65 60.47 1x50 s ILE 43 Cb -0.13 -3.76 -0.01 0.00 -1.06 0.00 0.00 42.46 37.50 1x50 s ILE 43 CO -0.03 0.43 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.40 1x50 s ILE 44 N -0.08 1.75 -0.22 2.92 1.01 -1.21 0.12 121.20 125.48 1x50 s ILE 44 Ca 0.24 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1x50 s ILE 44 Cb -0.16 -1.48 0.07 0.00 0.01 0.00 0.00 42.46 40.90 1x50 s ILE 44 CO 0.11 0.49 0.05 -0.63 0.00 0.00 0.00 174.94 174.96 1x50 s ILE 45 N -0.12 0.60 -0.27 2.92 1.01 0.11 -3.76 121.20 121.69 1x50 s ILE 45 Ca -0.02 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1x50 s ILE 45 Cb -0.12 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.21 1x50 s ILE 45 CO 0.02 -0.31 -0.02 -0.54 0.00 0.00 0.00 174.94 174.10 1x50 s LYS 46 N 1.81 2.78 0.00 2.79 1.02 -0.30 -1.55 119.74 126.29 1x50 s LYS 46 Ca 0.01 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.97 1x50 s LYS 46 Cb -0.17 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1x50 s LYS 46 CO -0.12 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1x50 n GLY 47 N 4.69 5.04 3.64 -3.33 0.00 -1.23 -0.65 105.19 113.36 1x50 n GLY 47 Ca -0.15 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 1.28 -0.41 -0.35 1.61 6.14 0.35 -3.53 117.35 122.44 1x50 s TYR 48 Ca 0.00 0.94 -0.24 0.00 0.64 0.00 0.00 57.07 58.41 1x50 s TYR 48 Cb 0.00 0.37 0.01 0.00 0.42 0.00 0.00 41.96 42.76 1x50 s TYR 48 CO 0.00 -0.20 0.81 0.08 0.64 0.00 0.00 175.55 176.88 1x50 s VAL 49 N 0.47 4.72 0.67 3.14 1.01 -1.10 0.40 120.40 129.70 1x50 s VAL 49 Ca 0.01 1.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.84 1x50 s VAL 49 Cb -0.05 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1x50 s VAL 49 CO -0.10 -0.42 1.11 -2.16 0.00 0.00 0.00 175.10 173.53 1x50 s PRO 50 N 3.15 2.73 0.22 2.72 0.04 -1.26 -1.18 135.00 141.42 1x50 s PRO 50 Ca 0.33 1.36 0.22 0.00 0.04 0.00 0.00 61.00 62.94 1x50 s PRO 50 Cb -0.13 -1.94 0.92 0.00 0.04 0.00 0.00 34.50 33.39 1x50 s PRO 50 CO 0.16 -1.30 1.67 -0.35 0.04 0.00 0.00 177.00 177.22 1x50 n PRO 51 N -2.57 0.16 -0.30 0.56 -0.04 -1.26 -2.21 135.00 129.34 1x50 n PRO 51 Ca 0.10 0.40 0.07 0.00 -0.04 0.00 0.00 63.50 64.03 1x50 n PRO 51 Cb 0.52 -1.81 0.20 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.12 1.77 -3.94 0.52 -2.24 -1.26 -4.95 114.28 102.05 1x50 n THR 52 Ca 0.02 -1.58 -0.35 0.00 -2.27 0.00 0.00 64.05 59.87 1x50 n THR 52 Cb 0.22 0.03 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.66 1.59 0.04 3.38 0.00 -0.94 -5.02 107.32 104.71 1x50 s GLY 53 Ca 0.33 -1.17 -0.33 0.00 0.00 0.00 0.00 44.72 43.55 1x50 s GLY 53 CO 0.10 0.40 1.42 0.50 0.00 0.00 0.00 173.10 175.52 1x50 h LYS 54 N 8.06 -1.16 -1.63 2.90 1.57 -1.87 -3.44 116.57 121.01 1x50 h LYS 54 Ca -0.42 0.08 0.21 0.00 -1.87 0.00 0.00 60.65 58.65 1x50 h LYS 54 Cb 1.16 0.26 -0.19 0.00 0.08 0.00 0.00 32.23 33.54 1x50 h LYS 54 CO 0.61 -0.77 0.73 -1.54 -0.57 0.00 0.00 179.45 177.90 1x50 s SER 55 N -4.02 -0.20 0.16 0.86 1.04 -1.26 -4.33 113.70 105.95 1x50 s SER 55 Ca -0.18 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.31 1x50 s SER 55 Cb 0.02 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.35 1x50 s SER 55 CO 0.53 -0.31 0.09 2.22 0.98 0.00 0.00 173.24 176.75 1x50 n PHE 56 N -0.01 -0.91 -3.67 5.02 -1.74 -1.24 -1.24 117.46 113.67 1x50 n PHE 56 Ca -0.03 -0.68 -0.14 0.00 -0.56 0.00 0.00 57.45 56.04 1x50 n PHE 56 Cb 0.59 -0.12 -0.08 0.00 1.52 0.00 0.00 39.48 41.38 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 -2.23 -1.37 -0.31 1.98 0.00 0.32 -3.76 121.76 116.37 1x50 s ALA 57 Ca 0.07 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.50 1x50 s ALA 57 Cb -0.01 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.46 1x50 s ALA 57 CO 0.04 -0.27 0.03 0.42 0.00 0.00 0.00 175.76 175.98 1x50 s ILE 58 N 0.02 1.91 0.00 0.00 1.09 0.49 -1.97 121.20 122.73 1x50 s ILE 58 Ca -0.02 -1.96 -0.01 0.00 -1.10 0.00 0.00 60.65 57.56 1x50 s ILE 58 Cb -0.04 -2.34 -0.04 0.00 -1.06 0.00 0.00 42.46 38.98 1x50 s ILE 58 CO 0.02 -0.50 0.11 0.20 -0.10 0.00 0.00 174.94 174.67 1x50 s ASN 59 N 1.12 5.86 -0.35 3.58 0.01 -0.86 -1.80 114.94 122.50 1x50 s ASN 59 Ca 0.07 0.19 0.02 0.00 -0.71 0.00 0.00 52.86 52.42 1x50 s ASN 59 Cb -0.19 -1.72 0.10 0.00 0.41 0.00 0.00 41.25 39.85 1x50 s ASN 59 CO -0.11 0.26 0.08 -0.36 -1.51 0.00 0.00 177.10 175.46 1x50 s PHE 60 N -1.25 3.66 0.47 2.20 0.40 -0.22 -1.70 117.98 121.53 1x50 s PHE 60 Ca 0.25 -2.73 0.04 0.00 -0.60 0.00 0.00 56.93 53.89 1x50 s PHE 60 Cb -0.12 -2.91 0.02 0.00 0.51 0.00 0.00 43.02 40.51 1x50 s PHE 60 CO 0.16 -0.95 0.65 0.21 0.70 0.00 0.00 175.22 176.00 1x50 s LYS 61 N 1.00 2.78 -0.26 0.44 2.20 -0.84 -1.85 119.74 123.23 1x50 s LYS 61 Ca 0.08 -0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 54.66 1x50 s LYS 61 Cb -0.20 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 1x50 s LYS 61 CO -0.06 -0.41 0.19 0.08 -0.36 0.00 0.00 175.35 174.79 1x50 s VAL 62 N -2.52 5.33 0.54 4.02 1.01 -1.02 -0.82 120.40 126.94 1x50 s VAL 62 Ca 0.54 0.22 0.20 0.00 0.00 0.00 0.00 61.98 62.94 1x50 s VAL 62 Cb -0.10 -3.53 0.30 0.00 0.00 0.00 0.00 36.38 33.05 1x50 s VAL 62 CO 0.36 0.30 2.16 1.23 0.00 0.00 0.00 175.10 179.15 1x50 h GLY 63 N 7.91 0.00 0.00 4.51 0.00 -1.78 -1.72 103.07 111.98 1x50 h GLY 63 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1x50 h GLY 63 CO 0.62 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.90 1x50 n SER 64 N -4.34 0.00 0.00 0.19 2.88 -1.26 -4.78 113.62 106.31 1x50 n SER 64 Ca -0.02 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1x50 n SER 64 Cb 0.13 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 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 -1.84 0.00 0.00 -3.46 2.88 -1.23 -5.05 113.62 104.93 1x50 n SER 65 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1x50 n SER 65 Cb 0.00 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 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 2.17 0.39 3.44 0.46 0.00 -0.65 -4.94 105.19 106.06 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 -0.68 3.81 -0.36 1.61 1.01 -1.26 -4.71 116.67 116.09 1x50 s ASP 67 Ca 0.00 -0.26 -0.24 0.00 0.71 0.00 0.00 52.55 52.76 1x50 s ASP 67 Cb 0.00 -0.76 0.01 0.00 1.01 0.00 0.00 42.92 43.17 1x50 s ASP 67 CO 0.00 0.33 0.82 -0.63 0.21 0.00 0.00 175.17 175.90 1x50 s ILE 68 N -0.67 4.70 -0.00 0.77 1.01 0.13 -2.44 121.20 124.71 1x50 s ILE 68 Ca 0.10 1.01 -0.00 0.00 0.00 0.00 0.00 60.65 61.76 1x50 s ILE 68 Cb -0.11 -4.23 -0.26 0.00 0.01 0.00 0.00 42.46 37.87 1x50 s ILE 68 CO 0.00 -0.43 0.83 0.00 0.00 0.00 0.00 174.94 175.34 1x50 h ALA 69 N 8.42 0.37 -3.56 9.38 0.00 -1.57 -0.41 119.26 131.89 1x50 h ALA 69 Ca -0.24 -1.17 -0.33 0.00 0.00 0.00 0.00 54.91 53.17 1x50 h ALA 69 Cb 1.09 0.30 -0.33 0.00 0.00 0.00 0.00 17.79 18.85 1x50 h ALA 69 CO 0.92 1.23 -0.74 -1.17 0.00 0.00 0.00 179.25 179.49 1x50 s LEU 70 N -6.83 1.32 -0.32 0.00 2.96 -1.26 -4.51 118.68 110.04 1x50 s LEU 70 Ca -0.08 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1x50 s LEU 70 Cb 0.07 -0.19 0.11 0.00 0.50 0.00 0.00 46.19 46.68 1x50 s LEU 70 CO 0.84 -0.08 0.13 -2.28 -1.32 0.00 0.00 176.35 173.64 1x50 s HIS 71 N 0.82 1.21 -0.17 5.38 5.65 0.61 -1.06 115.29 127.73 1x50 s HIS 71 Ca -0.08 -1.51 -0.14 0.00 0.25 0.00 0.00 55.06 53.58 1x50 s HIS 71 Cb -0.11 -1.41 -0.05 0.00 -1.18 0.00 0.00 32.58 29.83 1x50 s HIS 71 CO -0.02 -0.85 0.29 0.42 -0.65 0.00 0.00 174.74 173.93 1x50 s ILE 72 N 1.62 5.30 -0.26 0.89 1.01 -0.74 -0.26 121.20 128.76 1x50 s ILE 72 Ca 0.11 0.52 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 1x50 s ILE 72 Cb -0.18 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.75 1x50 s ILE 72 CO -0.25 0.37 0.08 0.21 0.00 0.00 0.00 174.94 175.35 1x50 s ASN 73 N 0.56 3.49 0.67 3.58 3.04 -0.20 -0.38 114.94 125.71 1x50 s ASN 73 Ca 0.16 -1.24 -0.15 0.00 0.04 0.00 0.00 52.86 51.67 1x50 s ASN 73 Cb -0.13 -0.67 0.00 0.00 -1.54 0.00 0.00 41.25 38.92 1x50 s ASN 73 CO 0.04 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.67 1x50 s PRO 74 N 1.80 2.75 -0.33 0.43 0.04 -1.25 -1.85 135.00 136.60 1x50 s PRO 74 Ca 0.05 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1x50 s PRO 74 Cb -0.17 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.53 1x50 s PRO 74 CO -0.20 -1.29 0.13 1.03 0.04 0.00 0.00 177.00 176.71 1x50 s ARG 75 N -4.17 0.71 1.20 4.56 0.52 -1.11 -4.50 118.95 116.15 1x50 s ARG 75 Ca 0.66 -1.14 -0.18 0.00 -0.52 0.00 0.00 55.73 54.55 1x50 s ARG 75 Cb -0.20 -1.88 0.25 0.00 0.52 0.00 0.00 34.95 33.64 1x50 s ARG 75 CO 0.43 -1.03 0.54 -1.33 0.02 0.00 0.00 175.30 173.93 1x50 n MET 76 N 4.67 -3.14 0.00 3.54 2.81 -1.26 -1.14 117.12 122.60 1x50 n MET 76 Ca -0.00 -0.93 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 1x50 n MET 76 Cb 0.41 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 2.09 0.09 0.22 3.03 0.00 -1.26 -3.72 105.19 105.63 1x50 n GLY 77 Ca 0.08 0.47 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.56 0.00 1.61 -1.24 -1.99 -3.48 115.58 109.92 1x50 h ASN 78 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1x50 h ASN 78 Cb 0.00 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.22 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 -1.26 0.69 2.74 1.57 0.00 -0.30 -5.11 105.19 103.52 1x50 n GLY 79 Ca -0.06 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.75 -0.19 -0.42 2.61 -4.23 -1.22 -4.84 115.64 106.60 1x50 s THR 80 Ca 0.00 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.63 1x50 s THR 80 Cb 0.00 -0.31 0.02 0.00 1.34 0.00 0.00 72.50 73.55 1x50 s THR 80 CO 0.00 0.07 0.33 -0.69 -0.54 0.00 0.00 174.62 173.79 1x50 s VAL 81 N 2.23 5.23 0.25 2.29 1.01 -1.26 -2.77 120.40 127.38 1x50 s VAL 81 Ca 0.04 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1x50 s VAL 81 Cb -0.13 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1x50 s VAL 81 CO -0.06 -0.35 0.96 -0.69 0.00 0.00 0.00 175.10 174.97 1x50 s VAL 82 N 1.75 4.00 -0.21 2.92 1.01 -0.77 -4.35 120.40 124.75 1x50 s VAL 82 Ca 0.06 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.06 1x50 s VAL 82 Cb -0.19 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.96 1x50 s VAL 82 CO 0.10 0.47 -0.14 -0.13 0.00 0.00 0.00 175.10 175.40 1x50 s ARG 83 N -1.25 2.44 0.47 2.72 3.00 0.12 -1.03 118.95 125.41 1x50 s ARG 83 Ca 0.42 -1.00 0.02 0.00 0.00 0.00 0.00 55.73 55.17 1x50 s ARG 83 Cb -0.26 -2.62 -0.01 0.00 0.00 0.00 0.00 34.95 32.05 1x50 s ARG 83 CO 0.33 -0.40 0.09 1.21 0.00 0.00 0.00 175.30 176.53 1x50 s ASN 84 N 1.26 3.45 -0.30 0.23 3.84 0.64 -1.48 114.94 122.58 1x50 s ASN 84 Ca -0.02 -1.72 -0.02 0.00 0.21 0.00 0.00 52.86 51.31 1x50 s ASN 84 Cb -0.16 0.64 0.19 0.00 -0.55 0.00 0.00 41.25 41.37 1x50 s ASN 84 CO -0.09 -0.96 0.63 -0.94 -2.79 0.00 0.00 177.10 172.95 1x50 s SER 85 N -3.75 -1.32 -0.26 -4.21 1.04 -1.26 0.22 113.70 104.16 1x50 s SER 85 Ca 0.13 0.84 -0.27 0.00 0.48 0.00 0.00 55.95 57.14 1x50 s SER 85 Cb 0.01 2.12 0.00 0.00 0.10 0.00 0.00 66.02 68.25 1x50 s SER 85 CO 0.09 -0.25 0.93 -0.22 0.98 0.00 0.00 173.24 174.78 1x50 s LEU 86 N 2.87 4.06 0.33 2.42 2.96 -0.16 0.47 118.68 131.63 1x50 s LEU 86 Ca 0.19 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1x50 s LEU 86 Cb -0.15 -3.35 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 1x50 s LEU 86 CO -0.20 -0.64 0.51 -0.76 -1.32 0.00 0.00 176.35 173.94 1x50 s LEU 87 N 3.11 4.04 -0.85 -0.68 1.43 0.65 0.21 118.68 126.59 1x50 s LEU 87 Ca 0.39 0.28 -0.31 0.00 -1.03 0.00 0.00 54.13 53.46 1x50 s LEU 87 Cb -0.14 -3.13 -0.20 0.00 0.03 0.00 0.00 46.19 42.75 1x50 s LEU 87 CO 0.09 -0.31 2.41 -0.46 0.23 0.00 0.00 176.35 178.32 1x50 n ASN 88 N -1.72 0.34 0.00 2.29 2.04 -1.26 0.24 115.26 117.19 1x50 n ASN 88 Ca -0.05 0.24 0.00 0.00 -0.44 0.00 0.00 54.58 54.34 1x50 n ASN 88 Cb 0.57 -0.85 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 6.16 0.67 3.68 4.83 0.00 -1.26 -4.90 105.19 114.37 1x50 n GLY 89 Ca 0.59 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.48 4.03 0.18 1.61 0.15 0.67 -5.16 113.70 112.71 1x50 s SER 90 Ca 0.00 -1.39 0.06 0.00 0.70 0.00 0.00 55.95 55.32 1x50 s SER 90 Cb 0.00 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1x50 s SER 90 CO 0.00 -0.57 -0.11 0.26 1.20 0.00 0.00 173.24 174.02 1x50 s TRP 91 N -2.73 1.51 0.00 3.44 0.52 -1.26 0.24 118.94 120.65 1x50 s TRP 91 Ca 0.29 -0.69 0.00 0.00 0.02 0.00 0.00 56.10 55.72 1x50 s TRP 91 Cb 0.07 -0.75 0.00 0.00 -1.15 0.00 0.00 33.47 31.64 1x50 s TRP 91 CO 0.15 0.20 0.00 0.41 0.02 0.00 0.00 176.95 177.73 1x50 n GLY 92 N -0.31 0.71 3.54 0.98 0.00 0.18 -4.71 105.19 105.57 1x50 n GLY 92 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.13 -0.27 1.61 0.01 -1.26 -4.94 113.70 107.72 1x50 s SER 93 Ca 0.00 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.37 1x50 s SER 93 Cb 0.00 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 1x50 s SER 93 CO 0.00 -1.09 0.29 -1.61 0.41 0.00 0.00 173.24 171.24 1x50 s GLU 94 N -3.96 4.00 -0.12 12.44 2.02 -1.26 -3.89 118.70 127.93 1x50 s GLU 94 Ca 0.17 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.07 1x50 s GLU 94 Cb -0.00 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1x50 s GLU 94 CO 0.04 -0.21 -0.23 -1.21 0.02 0.00 0.00 175.26 173.67 1x50 s GLU 95 N 1.86 3.06 -0.13 1.61 0.41 -0.55 -4.90 118.70 120.06 1x50 s GLU 95 Ca 0.11 -0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 53.81 1x50 s GLU 95 Cb -0.16 -2.37 0.03 0.00 -1.78 0.00 0.00 34.13 29.86 1x50 s GLU 95 CO 0.10 0.11 -0.05 0.15 -0.49 0.00 0.00 175.26 175.08 1x50 s LYS 96 N 0.51 1.37 -0.30 1.61 1.02 -1.26 0.12 119.74 122.80 1x50 s LYS 96 Ca -0.14 -0.33 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 1x50 s LYS 96 Cb -0.17 -1.72 0.18 0.00 -0.52 0.00 0.00 37.83 35.60 1x50 s LYS 96 CO 0.05 -0.35 0.97 0.21 -0.92 0.00 0.00 175.35 175.31 1x50 s LYS 97 N 1.71 0.23 0.01 1.68 2.47 -1.26 -5.05 119.74 119.53 1x50 s LYS 97 Ca 0.03 0.34 -0.08 0.00 -1.56 0.00 0.00 55.97 54.70 1x50 s LYS 97 Cb -0.14 0.18 0.00 0.00 -1.46 0.00 0.00 37.83 36.41 1x50 s LYS 97 CO -0.08 -0.33 0.15 -1.50 0.16 0.00 0.00 175.35 173.75 1x50 s ILE 98 N 2.94 0.09 -0.18 5.43 2.07 -1.26 -4.82 121.20 125.47 1x50 s ILE 98 Ca 0.11 -0.74 -0.24 0.00 -1.41 0.00 0.00 60.65 58.37 1x50 s ILE 98 Cb -0.08 -0.55 -0.21 0.00 0.13 0.00 0.00 42.46 41.75 1x50 s ILE 98 CO -0.17 -0.41 0.42 0.00 -1.91 0.00 0.00 174.94 172.87 1x50 h THR 99 N 4.07 1.23 -3.59 4.00 1.03 -1.89 -3.47 112.91 114.29 1x50 h THR 99 Ca -0.31 -2.20 -0.34 0.00 -0.01 0.00 0.00 66.41 63.55 1x50 h THR 99 Cb 1.19 2.61 -0.32 0.00 -1.07 0.00 0.00 68.15 70.55 1x50 h THR 99 CO 0.42 0.42 -0.75 -1.38 -0.01 0.00 0.00 175.52 174.22 1x50 s HIS 100 N -2.29 0.35 -0.42 0.00 -3.43 -1.26 -5.11 115.29 103.12 1x50 s HIS 100 Ca -0.24 -0.04 -0.03 0.00 -0.80 0.00 0.00 55.06 53.95 1x50 s HIS 100 Cb 0.02 -0.38 0.11 0.00 -1.43 0.00 0.00 32.58 30.91 1x50 s HIS 100 CO 0.61 -0.10 0.22 1.21 -2.00 0.00 0.00 174.74 174.68 1x50 s ASN 101 N 0.71 5.28 0.12 7.38 3.84 -1.26 -4.91 114.94 126.10 1x50 s ASN 101 Ca -0.07 -2.06 -0.13 0.00 0.21 0.00 0.00 52.86 50.81 1x50 s ASN 101 Cb -0.11 -1.84 -0.06 0.00 -0.55 0.00 0.00 41.25 38.69 1x50 s ASN 101 CO -0.01 -0.54 1.45 1.55 -2.79 0.00 0.00 177.10 176.76 1x50 h PRO 102 N 8.03 0.84 -3.98 0.43 0.13 -1.99 -3.44 132.00 132.02 1x50 h PRO 102 Ca -0.13 -0.45 -0.42 0.00 -0.87 0.00 0.00 66.00 64.13 1x50 h PRO 102 Cb 1.04 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1x50 h PRO 102 CO 0.71 1.09 1.28 1.19 -0.23 0.00 0.00 178.00 182.04 1x50 n PHE 103 N -4.14 0.52 -4.45 1.56 3.72 -1.26 -4.87 117.46 108.53 1x50 n PHE 103 Ca -0.03 0.35 -0.21 0.00 -0.05 0.00 0.00 57.45 57.51 1x50 n PHE 103 Cb 0.52 -1.81 -0.15 0.00 -0.94 0.00 0.00 39.48 37.09 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 6.45 0.57 -0.67 1.37 0.00 -1.26 -4.62 107.32 109.16 1x50 s GLY 104 Ca 1.02 -0.39 -0.26 0.00 0.00 0.00 0.00 44.72 45.09 1x50 s GLY 104 CO 0.40 -0.16 1.88 2.56 0.00 0.00 0.00 173.10 177.78 1x50 s PRO 105 N 0.10 2.61 0.00 2.90 0.04 -1.26 -2.37 135.00 137.01 1x50 s PRO 105 Ca -0.02 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1x50 s PRO 105 Cb -0.08 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.93 1x50 s PRO 105 CO 0.00 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.58 1x50 n GLY 106 N 5.94 0.85 3.24 0.56 0.00 -0.32 -4.72 105.19 110.74 1x50 n GLY 106 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 1.05 0.86 1.61 -2.07 -1.00 -4.98 119.66 115.14 1x50 s GLN 107 Ca 0.00 -1.47 -0.12 0.00 -1.82 0.00 0.00 55.36 51.95 1x50 s GLN 107 Cb 0.00 -0.44 0.14 0.00 -1.09 0.00 0.00 33.01 31.63 1x50 s GLN 107 CO 0.00 -0.02 1.21 -0.59 -1.32 0.00 0.00 175.29 174.57 1x50 s PHE 108 N -3.49 2.08 -0.29 9.60 -0.12 -1.26 -2.71 117.98 121.79 1x50 s PHE 108 Ca 0.19 0.36 -0.15 0.00 -0.05 0.00 0.00 56.93 57.28 1x50 s PHE 108 Cb 0.04 -3.72 0.10 0.00 -0.63 0.00 0.00 43.02 38.82 1x50 s PHE 108 CO 0.01 -2.17 0.74 -0.59 -0.05 0.00 0.00 175.22 173.16 1x50 s PHE 109 N -3.64 -1.04 -0.49 3.49 -0.12 -1.23 -4.82 117.98 110.13 1x50 s PHE 109 Ca 0.68 2.00 -0.17 0.00 -0.05 0.00 0.00 56.93 59.39 1x50 s PHE 109 Cb -0.07 0.62 0.08 0.00 -0.63 0.00 0.00 43.02 43.03 1x50 s PHE 109 CO 0.50 -0.52 0.48 0.34 -0.05 0.00 0.00 175.22 175.97 1x50 s ASP 110 N 1.92 6.17 -0.10 1.98 2.15 -1.26 -3.54 116.67 123.99 1x50 s ASP 110 Ca -0.09 -1.28 -0.04 0.00 0.43 0.00 0.00 52.55 51.58 1x50 s ASP 110 Cb -0.06 -2.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1x50 s ASP 110 CO -0.19 -0.75 0.04 -0.22 -0.17 0.00 0.00 175.17 173.89 1x50 s LEU 111 N 1.92 3.82 -0.17 -1.34 1.98 -0.60 -0.11 118.68 124.19 1x50 s LEU 111 Ca 0.07 0.23 -0.04 0.00 -2.89 0.00 0.00 54.13 51.50 1x50 s LEU 111 Cb -0.24 -1.89 0.08 0.00 0.66 0.00 0.00 46.19 44.80 1x50 s LEU 111 CO 0.07 0.38 0.21 -0.44 -1.89 0.00 0.00 176.35 174.68 1x50 s SER 112 N -0.86 1.15 -0.05 3.68 0.01 -0.06 0.05 113.70 117.63 1x50 s SER 112 Ca 0.13 -0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 1x50 s SER 112 Cb -0.12 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 1x50 s SER 112 CO 0.03 -0.30 0.41 -0.63 0.41 0.00 0.00 173.24 173.16 1x50 s ILE 113 N 2.32 5.11 -0.22 1.44 1.09 0.31 -0.81 121.20 130.45 1x50 s ILE 113 Ca 0.05 0.83 -0.04 0.00 -1.10 0.00 0.00 60.65 60.39 1x50 s ILE 113 Cb -0.14 -3.73 -0.01 0.00 -1.06 0.00 0.00 42.46 37.52 1x50 s ILE 113 CO -0.10 0.49 -0.04 -0.13 -0.10 0.00 0.00 174.94 175.06 1x50 s ARG 114 N -0.44 3.39 -0.32 2.79 0.52 -0.22 0.17 118.95 124.84 1x50 s ARG 114 Ca 0.23 -0.62 -0.20 0.00 -0.52 0.00 0.00 55.73 54.62 1x50 s ARG 114 Cb -0.16 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 1x50 s ARG 114 CO 0.11 -0.19 0.63 0.00 0.02 0.00 0.00 175.30 175.88 1x50 n GLY 116 N 4.49 3.96 0.04 0.00 0.00 -1.15 -4.23 105.19 108.30 1x50 n GLY 116 Ca -0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 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 1.57 -0.02 0.99 4.77 -1.26 -4.33 117.00 118.71 1x50 n LEU 117 Ca 0.00 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1x50 n LEU 117 Cb 0.00 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 1x50 n LEU 117 CO 0.00 0.43 -0.67 0.47 -1.33 0.00 0.00 177.39 176.29 1x50 n ASP 118 N -2.54 1.20 -3.69 -1.43 8.00 -1.26 -5.02 116.55 111.82 1x50 n ASP 118 Ca -0.14 0.31 0.01 0.00 0.71 0.00 0.00 54.79 55.68 1x50 n ASP 118 Cb 0.71 -0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.59 1x50 n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x50 s ARG 119 N -2.58 0.55 0.22 -1.24 1.70 -1.26 -4.27 118.95 112.07 1x50 s ARG 119 Ca -0.11 -0.34 0.03 0.00 -0.47 0.00 0.00 55.73 54.84 1x50 s ARG 119 Cb 0.07 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1x50 s ARG 119 CO 0.80 -0.26 0.36 -0.06 -1.08 0.00 0.00 175.30 175.07 1x50 s PHE 120 N -2.21 3.47 -0.30 5.89 0.40 -0.98 -2.92 117.98 121.32 1x50 s PHE 120 Ca 0.23 0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.64 1x50 s PHE 120 Cb 0.01 -1.65 0.10 0.00 0.51 0.00 0.00 43.02 41.99 1x50 s PHE 120 CO -0.01 0.43 0.09 0.15 0.70 0.00 0.00 175.22 176.57 1x50 s LYS 121 N -3.75 0.81 -0.14 0.44 1.02 -0.19 -2.81 119.74 115.13 1x50 s LYS 121 Ca 0.35 -1.11 -0.22 0.00 0.02 0.00 0.00 55.97 55.01 1x50 s LYS 121 Cb -0.10 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1x50 s LYS 121 CO 0.30 -0.95 0.67 0.08 -0.92 0.00 0.00 175.35 174.52 1x50 s VAL 122 N 1.55 5.03 0.13 3.17 1.01 -0.59 -1.06 120.40 129.65 1x50 s VAL 122 Ca 0.09 1.32 0.10 0.00 0.00 0.00 0.00 61.98 63.49 1x50 s VAL 122 Cb -0.17 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1x50 s VAL 122 CO -0.22 0.18 -0.23 -0.31 0.00 0.00 0.00 175.10 174.52 1x50 s TYR 123 N 1.38 2.41 -0.19 5.22 1.51 0.01 0.03 117.35 127.72 1x50 s TYR 123 Ca 0.33 -0.33 -0.03 0.00 -1.01 0.00 0.00 57.07 56.03 1x50 s TYR 123 Cb -0.17 -1.28 0.06 0.00 -0.11 0.00 0.00 41.96 40.47 1x50 s TYR 123 CO 0.13 0.38 0.04 0.00 -1.11 0.00 0.00 175.55 174.99 1x50 s ALA 124 N -1.16 0.97 -1.35 3.71 0.00 0.64 -0.88 121.76 123.69 1x50 s ALA 124 Ca 0.16 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 1x50 s ALA 124 Cb -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.86 1x50 s ALA 124 CO 0.08 -1.17 1.06 0.09 0.00 0.00 0.00 175.76 175.83 1x50 n ASN 125 N 5.06 -6.23 -1.64 0.00 3.02 0.85 -2.62 115.26 113.70 1x50 n ASN 125 Ca -0.09 -0.48 -0.08 0.00 -0.03 0.00 0.00 54.58 53.90 1x50 n ASN 125 Cb 0.47 -4.88 0.03 0.00 -0.61 0.00 0.00 39.78 34.79 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 -1.90 0.38 3.17 7.41 0.00 -1.26 -5.05 105.19 107.95 1x50 n GLY 126 Ca -0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.31 0.33 -0.33 1.61 -1.52 -1.08 -5.11 119.66 108.26 1x50 s GLN 127 Ca 0.18 0.49 -0.28 0.00 -1.95 0.00 0.00 55.36 53.80 1x50 s GLN 127 Cb -0.08 0.09 -0.04 0.00 -0.22 0.00 0.00 33.01 32.76 1x50 s GLN 127 CO 0.26 -0.08 2.11 -1.58 -0.25 0.00 0.00 175.29 175.75 1x50 s HIS 128 N 0.53 1.37 -0.05 0.91 5.65 -1.26 -0.26 115.29 122.17 1x50 s HIS 128 Ca -0.03 0.77 -0.02 0.00 0.25 0.00 0.00 55.06 56.04 1x50 s HIS 128 Cb -0.04 -3.93 -0.01 0.00 -1.18 0.00 0.00 32.58 27.41 1x50 s HIS 128 CO -0.03 -3.34 0.11 1.25 -0.65 0.00 0.00 174.74 172.08 1x50 h LEU 129 N 15.63 -0.06 0.00 8.88 5.85 -0.73 -3.46 115.31 141.44 1x50 h LEU 129 Ca -0.35 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.48 1x50 h LEU 129 Cb 1.22 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1x50 h LEU 129 CO 1.04 0.22 0.47 2.22 -0.34 0.00 0.00 178.44 182.05 1x50 n PHE 130 N -3.64 -1.45 -4.61 1.25 -1.74 -1.08 -3.97 117.46 102.21 1x50 n PHE 130 Ca -0.01 -1.22 -0.25 0.00 -0.56 0.00 0.00 57.45 55.41 1x50 n PHE 130 Cb 0.03 0.60 -0.14 0.00 1.52 0.00 0.00 39.48 41.48 1x50 n PHE 130 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1x50 s ASP 131 N -3.08 2.36 -0.35 5.98 1.01 -1.26 -1.55 116.67 119.78 1x50 s ASP 131 Ca 0.19 -0.51 -0.03 0.00 0.71 0.00 0.00 52.55 52.91 1x50 s ASP 131 Cb -0.03 -0.19 0.07 0.00 1.01 0.00 0.00 42.92 43.78 1x50 s ASP 131 CO 0.06 0.15 0.09 0.12 0.21 0.00 0.00 175.17 175.80 1x50 s PHE 132 N -0.80 3.38 0.33 4.23 5.36 -1.12 -4.95 117.98 124.41 1x50 s PHE 132 Ca 0.07 -1.97 -0.29 0.00 -0.96 0.00 0.00 56.93 53.78 1x50 s PHE 132 Cb -0.09 -2.54 -0.11 0.00 -0.34 0.00 0.00 43.02 39.94 1x50 s PHE 132 CO 0.02 -0.85 1.49 0.00 -1.46 0.00 0.00 175.22 174.42 1x50 s ALA 133 N 1.24 3.62 -0.55 11.12 0.00 -1.26 -2.32 121.76 133.62 1x50 s ALA 133 Ca 0.00 1.51 -0.26 0.00 0.00 0.00 0.00 51.96 53.21 1x50 s ALA 133 Cb -0.21 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1x50 s ALA 133 CO -0.01 -0.96 2.05 -1.01 0.00 0.00 0.00 175.76 175.83 1x50 s HIS 134 N -0.66 1.46 -0.14 0.00 0.09 -1.26 -4.82 115.29 109.96 1x50 s HIS 134 Ca 0.56 1.04 -0.15 0.00 -0.00 0.00 0.00 55.06 56.51 1x50 s HIS 134 Cb -0.46 -3.92 -0.12 0.00 -0.00 0.00 0.00 32.58 28.09 1x50 s HIS 134 CO 0.55 -2.45 0.23 0.00 -0.00 0.00 0.00 174.74 173.08 1x50 h ARG 135 N 16.41 0.00 -5.68 1.40 3.08 -1.89 -3.43 114.38 124.26 1x50 h ARG 135 Ca -0.26 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.16 1x50 h ARG 135 Cb 1.20 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.11 1x50 h ARG 135 CO 1.18 0.49 0.38 -1.17 -1.07 0.00 0.00 179.97 179.78 1x50 s LEU 136 N -8.25 4.31 0.44 3.04 2.96 -1.26 -4.91 118.68 115.01 1x50 s LEU 136 Ca -0.14 -0.32 0.24 0.00 -0.22 0.00 0.00 54.13 53.69 1x50 s LEU 136 Cb 0.01 -2.83 1.24 0.00 0.50 0.00 0.00 46.19 45.11 1x50 s LEU 136 CO 0.36 -1.01 1.78 0.77 -1.32 0.00 0.00 176.35 176.93 1x50 h SER 137 N 9.09 0.30 -0.13 3.68 4.64 -2.01 0.54 113.55 129.66 1x50 h SER 137 Ca -0.26 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 1x50 h SER 137 Cb 1.08 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 1x50 h SER 137 CO 1.00 0.05 0.08 0.00 -0.87 0.00 0.00 176.83 177.10 1x50 n ALA 138 N -2.56 2.89 -0.30 5.18 0.00 -1.26 -4.38 120.51 120.08 1x50 n ALA 138 Ca 0.25 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1x50 n ALA 138 Cb 0.98 -1.06 0.25 0.00 0.00 0.00 0.00 19.45 19.63 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 0.17 0.74 -1.04 0.00 -0.00 -0.32 0.88 116.94 117.38 1x50 h PHE 139 Ca 0.08 0.04 0.26 0.00 -0.00 0.00 0.00 57.97 58.35 1x50 h PHE 139 Cb 1.20 -0.19 -0.10 0.00 -0.00 0.00 0.00 35.95 36.85 1x50 h PHE 139 CO 0.21 0.11 0.65 -0.56 -0.00 0.00 0.00 178.31 178.73 1x50 h GLN 140 N 0.56 0.43 -0.93 6.09 3.07 -1.77 0.26 115.11 122.82 1x50 h GLN 140 Ca 0.49 -0.03 0.04 0.00 0.09 0.00 0.00 58.65 59.25 1x50 h GLN 140 Cb 0.78 -0.10 -0.06 0.00 0.08 0.00 0.00 27.48 28.19 1x50 h GLN 140 CO -0.41 0.28 0.60 0.00 0.09 0.00 0.00 178.83 179.39 1x50 h ARG 141 N 0.44 1.10 -5.42 0.06 3.08 -1.12 -2.45 114.38 110.07 1x50 h ARG 141 Ca 0.61 -0.07 -0.53 0.00 0.07 0.00 0.00 59.98 60.06 1x50 h ARG 141 Cb 1.45 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 1x50 h ARG 141 CO -0.34 0.73 1.64 0.28 -1.07 0.00 0.00 179.97 181.21 1x50 n VAL 142 N -4.52 0.00 -1.53 2.04 0.31 0.90 -4.39 118.33 111.15 1x50 n VAL 142 Ca 0.13 -0.30 0.07 0.00 -0.01 0.00 0.00 64.34 64.22 1x50 n VAL 142 Cb 0.12 -1.43 0.14 0.00 -0.91 0.00 0.00 33.84 31.77 1x50 n VAL 142 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1x50 n ASP 143 N 11.95 1.71 -4.04 4.52 2.03 -1.21 -1.17 116.55 130.33 1x50 n ASP 143 Ca 0.52 -3.17 -0.19 0.00 0.52 0.00 0.00 54.79 52.47 1x50 n ASP 143 Cb 0.22 -0.43 -0.15 0.00 -0.72 0.00 0.00 41.12 40.05 1x50 n ASP 143 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x50 s THR 144 N -2.41 0.77 -0.14 5.18 2.01 0.00 0.12 115.64 121.18 1x50 s THR 144 Ca 0.31 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 1x50 s THR 144 Cb 0.30 -0.65 0.05 0.00 0.01 0.00 0.00 72.50 72.20 1x50 s THR 144 CO -0.03 0.18 0.03 -0.22 -0.69 0.00 0.00 174.62 173.89 1x50 s LEU 145 N -0.32 0.81 0.15 4.42 2.96 0.02 -1.98 118.68 124.75 1x50 s LEU 145 Ca 0.03 -0.50 0.10 0.00 -0.22 0.00 0.00 54.13 53.54 1x50 s LEU 145 Cb -0.04 -0.47 -0.04 0.00 0.50 0.00 0.00 46.19 46.14 1x50 s LEU 145 CO -0.00 -0.27 -0.20 -1.83 -1.32 0.00 0.00 176.35 172.72 1x50 s GLU 146 N 1.95 1.67 -0.07 1.98 -1.05 -0.69 0.44 118.70 122.94 1x50 s GLU 146 Ca 0.02 -1.33 -0.02 0.00 -0.15 0.00 0.00 54.97 53.49 1x50 s GLU 146 Cb -0.15 -2.00 0.03 0.00 -0.44 0.00 0.00 34.13 31.57 1x50 s GLU 146 CO -0.07 0.44 0.05 0.42 0.95 0.00 0.00 175.26 177.06 1x50 s ILE 147 N -1.36 -0.02 0.43 1.83 1.01 0.33 -2.02 121.20 121.40 1x50 s ILE 147 Ca 0.19 0.28 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1x50 s ILE 147 Cb -0.09 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1x50 s ILE 147 CO 0.10 0.12 0.11 0.00 0.00 0.00 0.00 174.94 175.26 1x50 s GLN 148 N 2.13 1.97 0.00 2.79 0.00 -0.83 -0.28 119.66 125.43 1x50 s GLN 148 Ca 0.04 -2.21 0.00 0.00 -0.00 0.00 0.00 55.36 53.19 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 -0.04 -0.45 0.00 0.41 0.00 0.00 0.00 175.29 175.20 1x50 n GLY 149 N -0.97 0.75 2.91 2.60 0.00 -1.26 -0.52 105.19 108.69 1x50 n GLY 149 Ca -0.08 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 4.26 -0.01 1.61 1.11 -0.37 -4.91 116.67 114.35 1x50 s ASP 150 Ca 0.00 -2.70 -0.17 0.00 0.18 0.00 0.00 52.55 49.86 1x50 s ASP 150 Cb 0.00 -1.48 0.03 0.00 1.07 0.00 0.00 42.92 42.54 1x50 s ASP 150 CO 0.00 -0.28 0.36 0.54 1.18 0.00 0.00 175.17 176.98 1x50 s VAL 151 N 0.17 0.05 -0.63 -1.27 0.11 -1.26 -3.60 120.40 113.97 1x50 s VAL 151 Ca 0.16 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.70 1x50 s VAL 151 Cb -0.24 -0.71 0.16 0.00 -1.53 0.00 0.00 36.38 34.07 1x50 s VAL 151 CO -0.03 -0.23 0.49 -0.89 -3.33 0.00 0.00 175.10 171.11 1x50 s THR 152 N -1.46 4.35 0.01 5.04 2.01 0.16 -4.91 115.64 120.85 1x50 s THR 152 Ca -0.12 -2.45 -0.30 0.00 0.31 0.00 0.00 61.69 59.12 1x50 s THR 152 Cb -0.04 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1x50 s THR 152 CO 0.04 -0.88 1.09 -0.76 -0.69 0.00 0.00 174.62 173.42 1x50 s LEU 153 N 0.46 4.35 -0.11 4.42 1.43 -1.26 0.13 118.68 128.10 1x50 s LEU 153 Ca 0.14 1.80 -0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1x50 s LEU 153 Cb -0.19 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 1x50 s LEU 153 CO -0.04 -0.40 -0.10 -1.20 0.23 0.00 0.00 176.35 174.84 1x50 n SER 154 N 4.18 2.79 -3.75 2.29 7.64 0.18 -3.74 113.62 123.21 1x50 n SER 154 Ca 0.08 -0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 1x50 n SER 154 Cb 0.48 -0.19 -0.14 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.21 -0.18 -0.23 1.43 6.14 -0.07 -2.31 117.35 119.93 1x50 s TYR 155 Ca -0.14 0.51 -0.04 0.00 0.64 0.00 0.00 57.07 58.03 1x50 s TYR 155 Cb 0.04 -0.06 0.08 0.00 0.42 0.00 0.00 41.96 42.44 1x50 s TYR 155 CO 0.23 -0.17 0.13 0.08 0.64 0.00 0.00 175.55 176.46 1x50 s VAL 156 N 1.12 -0.11 -0.10 3.14 1.01 -1.26 -1.15 120.40 123.05 1x50 s VAL 156 Ca -0.09 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1x50 s VAL 156 Cb -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1x50 s VAL 156 CO -0.06 -0.47 -0.23 -1.58 0.00 0.00 0.00 175.10 172.76 1x50 s GLN 157 N 2.15 2.95 -0.76 2.72 0.74 -1.25 -3.33 119.66 122.88 1x50 s GLN 157 Ca 0.06 -0.84 -0.17 0.00 0.05 0.00 0.00 55.36 54.45 1x50 s GLN 157 Cb -0.16 -2.24 0.15 0.00 1.10 0.00 0.00 33.01 31.86 1x50 s GLN 157 CO -0.22 0.15 0.83 0.42 -0.55 0.00 0.00 175.29 175.92 1x50 s ILE 158 N 0.40 5.07 0.52 -2.34 1.01 -1.26 -3.36 121.20 121.25 1x50 s ILE 158 Ca -0.18 -1.65 -0.21 0.00 0.00 0.00 0.00 60.65 58.61 1x50 s ILE 158 Cb -0.18 -4.55 -0.08 0.00 0.01 0.00 0.00 42.46 37.66 1x50 s ILE 158 CO 0.08 -1.19 0.90 -0.24 0.00 0.00 0.00 174.94 174.49 1x50 n SER 159 N 5.57 0.62 -3.88 3.58 2.88 -0.99 -4.98 113.62 116.42 1x50 n SER 159 Ca 0.07 0.88 -0.10 0.00 -1.33 0.00 0.00 58.87 58.39 1x50 n SER 159 Cb 0.46 -1.33 -0.09 0.00 -0.75 0.00 0.00 64.21 62.49 1x50 n SER 159 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x50 s GLY 160 N -1.03 0.09 0.00 0.46 0.00 -1.26 -3.96 107.32 101.62 1x50 s GLY 160 Ca 0.69 -0.39 0.15 0.00 0.00 0.00 0.00 44.72 45.18 1x50 s GLY 160 CO 0.52 -0.55 1.36 -1.55 0.00 0.00 0.00 173.10 172.88 1x50 n PRO 161 N 0.72 0.42 -1.54 2.90 -0.04 -1.21 -4.72 135.00 131.53 1x50 n PRO 161 Ca -0.19 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.13 1x50 n PRO 161 Cb 0.59 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 1x50 n PRO 161 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x50 n SER 162 N -1.07 1.06 -4.34 3.54 7.64 -1.26 -4.82 113.62 114.36 1x50 n SER 162 Ca 0.11 -1.16 -0.53 0.00 1.01 0.00 0.00 58.87 58.30 1x50 n SER 162 Cb 0.07 -1.38 -0.06 0.00 -1.01 0.00 0.00 64.21 61.83 1x50 n SER 162 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x50 n SER 163 N 15.30 -0.54 0.00 6.43 3.41 -1.26 -5.25 113.62 131.71 1x50 n SER 163 Ca 0.52 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 60.24 1x50 n SER 163 Cb 0.36 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1x50 n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49