#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrz s SER 2 N 0.00 1.21 -0.02 1.61 0.15 -1.26 -5.15 113.70 110.24 2yrz s SER 2 Ca 0.00 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.39 2yrz s SER 2 Cb 0.00 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 2yrz s SER 2 CO 0.00 0.07 -0.03 -0.44 1.20 0.00 0.00 173.24 174.04 2yrz s SER 3 N -0.56 0.55 0.00 5.45 0.01 -1.26 -5.13 113.70 112.77 2yrz s SER 3 Ca 0.02 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2yrz s SER 3 Cb -0.05 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2yrz s SER 3 CO 0.00 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2yrz n GLY 4 N 3.62 1.09 2.24 3.44 0.00 -1.26 -5.04 105.19 109.27 2yrz n GLY 4 Ca -0.21 0.48 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 2yrz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrz n SER 5 N 0.00 5.89 -4.78 1.61 2.88 -1.26 -5.04 113.62 112.92 2yrz n SER 5 Ca 0.00 -3.76 -0.36 0.00 -1.33 0.00 0.00 58.87 53.42 2yrz n SER 5 Cb 0.00 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.85 2yrz n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yrz s SER 6 N -2.90 6.28 0.00 -3.46 0.01 -1.26 -4.88 113.70 107.49 2yrz s SER 6 Ca 0.55 2.13 0.00 0.00 1.31 0.00 0.00 55.95 59.93 2yrz s SER 6 Cb 0.44 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2yrz s SER 6 CO -0.04 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.39 2yrz n GLY 7 N 0.21 1.90 0.14 3.44 0.00 -1.26 -5.03 105.19 104.60 2yrz n GLY 7 Ca 0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 2yrz n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yrz h SER 8 N 0.00 -0.30 -4.26 1.61 4.64 -2.07 -3.43 113.55 109.74 2yrz h SER 8 Ca 0.00 0.06 -0.52 0.00 -0.47 0.00 0.00 61.79 60.86 2yrz h SER 8 Cb 0.00 0.15 0.16 0.00 -0.31 0.00 0.00 62.40 62.41 2yrz h SER 8 CO 0.00 -0.13 0.30 -1.00 -0.87 0.00 0.00 176.83 175.13 2yrz s HIS 9 N -6.18 2.07 -0.49 4.77 3.76 -1.26 -4.91 115.29 113.05 2yrz s HIS 9 Ca -0.14 1.67 -0.02 0.00 -0.15 0.00 0.00 55.06 56.42 2yrz s HIS 9 Cb 0.10 -3.26 0.29 0.00 1.11 0.00 0.00 32.58 30.81 2yrz s HIS 9 CO 0.68 -2.38 2.11 -0.25 -0.85 0.00 0.00 174.74 174.05 2yrz n ASP 10 N -3.60 6.97 -0.32 1.40 8.00 -1.26 -4.69 116.55 123.04 2yrz n ASP 10 Ca 0.11 -3.38 0.29 0.00 0.71 0.00 0.00 54.79 52.52 2yrz n ASP 10 Cb 0.52 -1.05 0.54 0.00 -0.02 0.00 0.00 41.12 41.11 2yrz n ASP 10 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2yrz h SER 11 N 1.91 0.33 -3.44 -2.24 4.64 -1.91 -3.34 113.55 109.50 2yrz h SER 11 Ca 0.43 0.24 -0.58 0.00 -0.47 0.00 0.00 61.79 61.41 2yrz h SER 11 Cb 0.80 0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 2yrz h SER 11 CO 1.11 -0.35 0.79 -0.13 -0.87 0.00 0.00 176.83 177.38 2yrz s ARG 12 N -5.59 3.93 -0.20 4.77 0.52 -1.26 -5.00 118.95 116.12 2yrz s ARG 12 Ca -0.10 0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 55.91 2yrz s ARG 12 Cb 0.33 -3.79 0.07 0.00 0.52 0.00 0.00 34.95 32.07 2yrz s ARG 12 CO 0.78 -1.01 0.06 -0.51 0.02 0.00 0.00 175.30 174.65 2yrz s LEU 13 N 3.76 0.95 -0.13 2.53 1.43 -1.26 -5.12 118.68 120.85 2yrz s LEU 13 Ca 0.44 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2yrz s LEU 13 Cb -0.11 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.64 2yrz s LEU 13 CO 0.20 -0.34 -0.14 0.42 0.23 0.00 0.00 176.35 176.72 2yrz s THR 14 N 1.95 1.48 0.00 5.49 -4.23 -1.26 -4.98 115.64 114.08 2yrz s THR 14 Ca 0.01 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 2yrz s THR 14 Cb -0.17 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2yrz s THR 14 CO -0.12 0.44 0.00 0.00 -0.54 0.00 0.00 174.62 174.40 2yrz n ALA 15 N 4.51 3.00 -1.38 3.99 0.00 -1.26 -4.82 120.51 124.54 2yrz n ALA 15 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 2yrz n ALA 15 Cb 0.51 0.37 -0.02 0.00 0.00 0.00 0.00 19.45 20.31 2yrz n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrz n GLY 16 N 2.60 4.51 3.86 0.00 0.00 -1.26 -4.88 105.19 110.02 2yrz n GLY 16 Ca 0.00 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 2yrz n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yrz s VAL 17 N -2.70 5.03 -0.34 1.61 -7.23 -1.26 -4.19 120.40 111.32 2yrz s VAL 17 Ca 0.52 -0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 59.83 2yrz s VAL 17 Cb 0.37 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 2yrz s VAL 17 CO -0.18 0.11 1.69 -2.16 -0.31 0.00 0.00 175.10 174.25 2yrz s PRO 18 N -2.54 3.43 0.97 4.82 0.04 -1.26 -4.63 135.00 135.84 2yrz s PRO 18 Ca 0.33 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 2yrz s PRO 18 Cb -0.12 -4.14 0.14 0.00 0.04 0.00 0.00 34.50 30.42 2yrz s PRO 18 CO 0.26 -1.74 0.22 -3.47 0.04 0.00 0.00 177.00 172.31 2yrz n ASP 19 N 9.77 -2.90 -4.71 6.66 2.03 -0.72 -3.48 116.55 123.21 2yrz n ASP 19 Ca 0.21 -0.34 -0.42 0.00 0.52 0.00 0.00 54.79 54.76 2yrz n ASP 19 Cb 0.47 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 2yrz n ASP 19 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yrz s THR 20 N -2.07 3.02 0.40 5.18 2.01 -1.26 -4.42 115.64 118.49 2yrz s THR 20 Ca 0.34 0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.73 2yrz s THR 20 Cb -0.05 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 2yrz s THR 20 CO 0.34 0.03 1.19 -2.16 -0.69 0.00 0.00 174.62 173.32 2yrz s PRO 21 N 1.73 4.06 1.29 4.92 0.04 -1.26 -4.91 135.00 140.87 2yrz s PRO 21 Ca 0.69 1.89 -0.17 0.00 0.04 0.00 0.00 61.00 63.45 2yrz s PRO 21 Cb -0.40 -2.71 0.33 0.00 0.04 0.00 0.00 34.50 31.76 2yrz s PRO 21 CO 0.31 -0.33 0.98 0.99 0.04 0.00 0.00 177.00 178.99 2yrz s THR 22 N -1.38 1.67 0.89 1.26 2.01 -1.26 -4.48 115.64 114.34 2yrz s THR 22 Ca 0.57 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.41 2yrz s THR 22 Cb -0.32 -2.04 -0.06 0.00 0.01 0.00 0.00 72.50 70.08 2yrz s THR 22 CO 0.40 0.00 -0.06 -2.11 -0.69 0.00 0.00 174.62 172.16 2yrz n ARG 23 N -5.29 -0.05 -4.00 4.92 1.85 -1.26 -4.58 116.66 108.25 2yrz n ARG 23 Ca 0.06 0.01 -0.23 0.00 -1.00 0.00 0.00 57.85 56.70 2yrz n ARG 23 Cb 0.57 -1.46 -0.03 0.00 -1.05 0.00 0.00 32.46 30.48 2yrz n ARG 23 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2yrz s LEU 24 N 2.94 4.18 -0.19 2.89 1.43 -1.26 -4.56 118.68 124.11 2yrz s LEU 24 Ca 0.52 0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 2yrz s LEU 24 Cb -0.25 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.25 2yrz s LEU 24 CO 0.71 -0.02 -0.16 -0.69 0.23 0.00 0.00 176.35 176.42 2yrz s VAL 25 N -1.92 2.38 -0.17 -1.59 1.01 0.42 -4.88 120.40 115.66 2yrz s VAL 25 Ca 0.34 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 2yrz s VAL 25 Cb -0.09 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2yrz s VAL 25 CO 0.28 0.51 0.06 -0.36 0.00 0.00 0.00 175.10 175.58 2yrz s PHE 26 N 1.34 3.26 -0.20 5.22 0.40 -1.24 -1.11 117.98 125.65 2yrz s PHE 26 Ca 0.05 0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 2yrz s PHE 26 Cb -0.13 -2.03 -0.20 0.00 0.51 0.00 0.00 43.02 41.16 2yrz s PHE 26 CO -0.11 0.23 0.01 0.45 0.70 0.00 0.00 175.22 176.51 2yrz n SER 27 N 3.25 2.03 -3.00 1.36 2.88 -0.85 -4.90 113.62 114.39 2yrz n SER 27 Ca -0.17 0.04 -0.13 0.00 -1.33 0.00 0.00 58.87 57.28 2yrz n SER 27 Cb 0.53 -0.63 0.07 0.00 -0.75 0.00 0.00 64.21 63.42 2yrz n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yrz n ALA 28 N -3.22 -1.93 -0.52 -1.46 0.00 -1.26 -4.84 120.51 107.28 2yrz n ALA 28 Ca -0.40 0.03 0.42 0.00 0.00 0.00 0.00 53.44 53.49 2yrz n ALA 28 Cb 1.00 -3.54 0.74 0.00 0.00 0.00 0.00 19.45 17.64 2yrz n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yrz h LEU 29 N -1.25 0.10 0.00 0.00 -0.00 -1.84 -3.44 115.31 108.88 2yrz h LEU 29 Ca -0.50 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2yrz h LEU 29 Cb 1.27 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 2yrz h LEU 29 CO 0.39 -0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.39 2yrz n GLY 30 N -1.74 1.99 0.19 0.83 0.00 -1.16 -4.95 105.19 100.35 2yrz n GLY 30 Ca 0.37 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.57 2yrz n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrz h PRO 31 N 0.00 0.00 0.00 1.61 0.13 -1.93 -3.14 132.00 128.67 2yrz h PRO 31 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2yrz h PRO 31 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2yrz h PRO 31 CO 0.00 0.38 -0.22 0.25 -0.23 0.00 0.00 178.00 178.18 2yrz n THR 32 N -3.77 1.75 -3.98 1.56 -2.24 -1.26 -4.24 114.28 102.11 2yrz n THR 32 Ca -0.01 -2.30 -0.10 0.00 -2.27 0.00 0.00 64.05 59.37 2yrz n THR 32 Cb 0.46 -0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.44 2yrz n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yrz s SER 33 N -2.79 0.26 0.20 3.42 1.04 -1.19 -2.22 113.70 112.42 2yrz s SER 33 Ca 0.31 -0.46 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 2yrz s SER 33 Cb 0.29 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.52 2yrz s SER 33 CO -0.01 -0.27 0.53 -0.76 0.98 0.00 0.00 173.24 173.71 2yrz s LEU 34 N -1.35 0.06 -0.24 2.42 1.43 0.34 -2.96 118.68 118.39 2yrz s LEU 34 Ca -0.14 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.43 2yrz s LEU 34 Cb -0.09 2.16 0.08 0.00 0.03 0.00 0.00 46.19 48.37 2yrz s LEU 34 CO -0.01 -1.06 0.11 -0.60 0.23 0.00 0.00 176.35 175.02 2yrz s ARG 35 N -3.88 0.15 -0.17 1.70 3.52 -1.26 0.11 118.95 119.12 2yrz s ARG 35 Ca 0.09 -0.34 -0.16 0.00 -0.13 0.00 0.00 55.73 55.19 2yrz s ARG 35 Cb -0.01 -1.48 -0.04 0.00 -1.56 0.00 0.00 34.95 31.86 2yrz s ARG 35 CO -0.03 -0.86 0.42 0.08 -0.81 0.00 0.00 175.30 174.10 2yrz s VAL 36 N 2.11 5.21 -0.06 7.11 1.01 0.75 -2.01 120.40 134.51 2yrz s VAL 36 Ca 0.06 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.84 2yrz s VAL 36 Cb -0.16 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2yrz s VAL 36 CO -0.24 0.29 -0.11 -0.55 0.00 0.00 0.00 175.10 174.49 2yrz s SER 37 N 0.82 1.66 0.26 3.32 0.15 -0.26 -0.18 113.70 119.46 2yrz s SER 37 Ca 0.21 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2yrz s SER 37 Cb -0.15 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 2yrz s SER 37 CO 0.08 0.02 0.03 -2.67 1.20 0.00 0.00 173.24 171.90 2yrz n TRP 38 N 3.84 0.32 -5.09 3.44 2.14 0.27 -0.43 117.44 121.93 2yrz n TRP 38 Ca -0.23 -1.23 -0.32 0.00 2.07 0.00 0.00 57.50 57.78 2yrz n TRP 38 Cb 0.52 -0.18 -0.16 0.00 -0.81 0.00 0.00 31.31 30.68 2yrz n TRP 38 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2yrz s GLN 39 N -2.95 3.12 -0.47 -2.67 2.00 -1.26 -4.79 119.66 112.64 2yrz s GLN 39 Ca 0.02 -0.84 -0.33 0.00 -2.00 0.00 0.00 55.36 52.22 2yrz s GLN 39 Cb -0.00 -2.38 -0.12 0.00 0.80 0.00 0.00 33.01 31.30 2yrz s GLN 39 CO 0.02 0.17 2.30 -1.91 -0.50 0.00 0.00 175.29 175.37 2yrz n GLU 40 N 3.56 0.90 -1.18 1.67 2.13 -1.26 -4.32 120.64 122.14 2yrz n GLU 40 Ca -0.19 0.19 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2yrz n GLU 40 Cb 0.53 -2.48 0.16 0.00 0.27 0.00 0.00 31.44 29.92 2yrz n GLU 40 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2yrz s PRO 41 N 6.96 0.82 0.30 5.31 0.04 -1.26 -5.00 135.00 142.17 2yrz s PRO 41 Ca 1.12 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 2yrz s PRO 41 Cb -0.81 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 2yrz s PRO 41 CO 0.45 -2.50 1.10 -0.98 0.04 0.00 0.00 177.00 175.11 2yrz s ARG 42 N -4.95 4.55 -0.30 4.56 1.70 -1.26 -4.83 118.95 118.42 2yrz s ARG 42 Ca 0.64 1.78 -0.13 0.00 -0.47 0.00 0.00 55.73 57.55 2yrz s ARG 42 Cb -0.18 -3.08 0.14 0.00 -0.57 0.00 0.00 34.95 31.26 2yrz s ARG 42 CO 0.57 0.14 0.83 0.00 -1.08 0.00 0.00 175.30 175.76 2yrz h GLU 44 N 7.52 0.00 -6.26 0.00 4.39 -1.85 -3.42 114.58 114.95 2yrz h GLU 44 Ca -0.19 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.90 2yrz h GLU 44 Cb 1.13 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.68 2yrz h GLU 44 CO 0.11 0.04 -0.62 1.03 -1.16 0.00 0.00 179.01 178.40 2yrz s ARG 45 N -4.44 2.70 0.10 2.33 1.81 -1.26 -5.09 118.95 115.11 2yrz s ARG 45 Ca -0.04 -0.86 -0.31 0.00 -1.72 0.00 0.00 55.73 52.80 2yrz s ARG 45 Cb 0.14 -2.58 -0.08 0.00 -0.45 0.00 0.00 34.95 31.98 2yrz s ARG 45 CO 0.54 0.51 1.37 -1.25 -0.68 0.00 0.00 175.30 175.80 2yrz s PRO 46 N -2.67 4.33 0.49 3.54 0.04 -1.26 -4.86 135.00 134.60 2yrz s PRO 46 Ca 0.28 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.16 2yrz s PRO 46 Cb -0.11 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 2yrz s PRO 46 CO 0.21 -0.42 1.04 -0.51 0.04 0.00 0.00 177.00 177.35 2yrz s LEU 47 N 1.15 3.85 -0.10 -3.56 1.43 -1.26 -3.98 118.68 116.21 2yrz s LEU 47 Ca 0.64 1.94 0.18 0.00 -1.03 0.00 0.00 54.13 55.86 2yrz s LEU 47 Cb -0.36 -4.56 -0.27 0.00 0.03 0.00 0.00 46.19 41.04 2yrz s LEU 47 CO 0.30 -0.79 0.25 0.00 0.23 0.00 0.00 176.35 176.34 2yrz n GLN 48 N -0.96 0.80 0.00 1.70 6.02 -0.87 -4.71 117.38 119.36 2yrz n GLN 48 Ca 0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2yrz n GLN 48 Cb 0.52 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2yrz n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yrz n GLY 49 N 1.62 0.95 3.50 1.08 0.00 -1.25 -3.58 105.19 107.51 2yrz n GLY 49 Ca -0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2yrz n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yrz s TYR 50 N -1.15 0.42 -0.07 1.61 2.02 -1.07 -3.52 117.35 115.59 2yrz s TYR 50 Ca 0.00 -0.77 -0.03 0.00 -0.37 0.00 0.00 57.07 55.90 2yrz s TYR 50 Cb 0.00 0.08 0.04 0.00 -0.40 0.00 0.00 41.96 41.69 2yrz s TYR 50 CO 0.00 -0.91 0.14 -1.12 -1.57 0.00 0.00 175.55 172.09 2yrz s SER 51 N -3.02 0.34 -0.34 2.29 0.01 -0.40 -0.34 113.70 112.24 2yrz s SER 51 Ca 0.23 0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2yrz s SER 51 Cb 0.01 0.20 0.10 0.00 0.21 0.00 0.00 66.02 66.54 2yrz s SER 51 CO 0.07 -0.20 0.05 -0.69 0.41 0.00 0.00 173.24 172.89 2yrz s VAL 52 N 1.72 2.31 -0.20 3.43 1.01 0.63 -0.97 120.40 128.33 2yrz s VAL 52 Ca -0.03 -2.31 -0.13 0.00 0.00 0.00 0.00 61.98 59.51 2yrz s VAL 52 Cb -0.12 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2yrz s VAL 52 CO -0.06 -0.58 0.27 -1.61 0.00 0.00 0.00 175.10 173.12 2yrz s GLU 53 N 0.92 4.18 0.04 2.72 2.02 -0.85 -1.80 118.70 125.92 2yrz s GLU 53 Ca 0.10 -0.01 0.03 0.00 0.02 0.00 0.00 54.97 55.11 2yrz s GLU 53 Cb -0.19 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 2yrz s GLU 53 CO -0.08 0.12 -0.09 1.52 0.02 0.00 0.00 175.26 176.75 2yrz s TYR 54 N 0.85 0.81 -0.01 1.61 -0.85 -0.89 -0.01 117.35 118.86 2yrz s TYR 54 Ca 0.14 -0.38 -0.28 0.00 -0.52 0.00 0.00 57.07 56.02 2yrz s TYR 54 Cb -0.13 -0.48 0.09 0.00 0.38 0.00 0.00 41.96 41.82 2yrz s TYR 54 CO 0.04 -0.03 0.79 1.14 -1.52 0.00 0.00 175.55 175.98 2yrz s GLN 55 N -1.21 0.94 -0.46 -3.49 -2.07 -1.19 -1.07 119.66 111.12 2yrz s GLN 55 Ca -0.04 -0.10 -0.45 0.00 -1.82 0.00 0.00 55.36 52.95 2yrz s GLN 55 Cb -0.08 0.44 -0.19 0.00 -1.09 0.00 0.00 33.01 32.09 2yrz s GLN 55 CO 0.01 -0.36 1.73 1.28 -1.32 0.00 0.00 175.29 176.63 2yrz n LEU 56 N 0.22 1.38 -0.29 2.60 4.77 -1.25 -0.68 117.00 123.75 2yrz n LEU 56 Ca -0.14 1.06 -0.07 0.00 -0.03 0.00 0.00 56.01 56.84 2yrz n LEU 56 Cb 0.60 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2yrz n LEU 56 CO 0.16 -0.75 0.34 -0.11 -1.33 0.00 0.00 177.39 175.70 2yrz n LEU 57 N 5.02 -0.70 -0.14 2.23 0.00 -0.65 0.13 117.00 122.88 2yrz n LEU 57 Ca 0.34 1.23 -0.03 0.00 0.00 0.00 0.00 56.01 57.56 2yrz n LEU 57 Cb -0.01 -0.17 0.05 0.00 0.00 0.00 0.00 43.42 43.28 2yrz n LEU 57 CO 0.88 -1.02 0.89 -0.55 0.00 0.00 0.00 177.39 177.59 2yrz h ASN 58 N 0.00 -0.06 0.00 1.96 7.08 -1.86 -3.45 115.58 119.25 2yrz h ASN 58 Ca 0.13 0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.43 2yrz h ASN 58 Cb 0.30 0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 2yrz h ASN 58 CO -0.66 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.31 2yrz n GLY 59 N -1.28 1.82 0.00 9.14 0.00 0.34 -5.18 105.19 110.03 2yrz n GLY 59 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2yrz n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yrz n GLY 60 N 0.00 4.48 3.71 -0.02 0.00 -1.23 -4.93 105.19 107.19 2yrz n GLY 60 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2yrz n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yrz s GLU 61 N 3.28 4.52 -0.19 1.61 2.12 -1.26 -4.81 118.70 123.97 2yrz s GLU 61 Ca 0.00 1.45 -0.08 0.00 0.36 0.00 0.00 54.97 56.70 2yrz s GLU 61 Cb 0.00 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2yrz s GLU 61 CO 0.00 -0.13 0.07 -1.17 -0.54 0.00 0.00 175.26 173.50 2yrz s LEU 62 N 1.24 3.80 -0.20 2.70 1.98 -1.26 -3.88 118.68 123.06 2yrz s LEU 62 Ca 0.52 0.05 -0.00 0.00 -2.89 0.00 0.00 54.13 51.81 2yrz s LEU 62 Cb -0.21 -1.97 0.01 0.00 0.66 0.00 0.00 46.19 44.68 2yrz s LEU 62 CO 0.26 0.14 -0.15 -1.00 -1.89 0.00 0.00 176.35 173.71 2yrz s HIS 63 N 0.57 2.85 -0.25 5.38 3.76 -0.23 -4.99 115.29 122.39 2yrz s HIS 63 Ca 0.04 -1.48 -0.14 0.00 -0.15 0.00 0.00 55.06 53.32 2yrz s HIS 63 Cb -0.13 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.55 2yrz s HIS 63 CO 0.01 -0.74 0.32 0.50 -0.85 0.00 0.00 174.74 173.98 2yrz s ARG 64 N 1.33 4.06 -0.24 1.40 3.52 -1.26 -2.10 118.95 125.66 2yrz s ARG 64 Ca 0.05 -0.01 -0.05 0.00 -0.13 0.00 0.00 55.73 55.59 2yrz s ARG 64 Cb -0.14 -3.61 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2yrz s ARG 64 CO -0.10 -0.15 -0.00 -0.51 -0.81 0.00 0.00 175.30 173.73 2yrz s LEU 65 N 1.67 3.16 -0.07 -0.88 1.43 -0.74 -4.97 118.68 118.28 2yrz s LEU 65 Ca 0.14 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 2yrz s LEU 65 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2yrz s LEU 65 CO 0.09 -0.05 0.20 0.20 0.23 0.00 0.00 176.35 177.01 2yrz s ASN 66 N 1.51 6.45 -0.34 2.29 0.01 -1.26 -0.27 114.94 123.33 2yrz s ASN 66 Ca 0.05 0.52 -0.04 0.00 -0.71 0.00 0.00 52.86 52.68 2yrz s ASN 66 Cb -0.15 -2.08 0.06 0.00 0.41 0.00 0.00 41.25 39.48 2yrz s ASN 66 CO -0.01 0.35 0.09 -0.63 -1.51 0.00 0.00 177.10 175.39 2yrz s ILE 67 N -1.12 3.45 -2.00 0.60 -1.09 0.53 -4.95 121.20 116.62 2yrz s ILE 67 Ca 0.20 -1.37 0.11 0.00 -2.23 0.00 0.00 60.65 57.36 2yrz s ILE 67 Cb -0.13 -3.03 0.31 0.00 -1.58 0.00 0.00 42.46 38.03 2yrz s ILE 67 CO 0.09 -0.24 1.08 -0.81 -1.23 0.00 0.00 174.94 173.83 2yrz n PRO 68 N 4.72 0.49 -3.88 2.79 -0.04 -1.26 -2.61 135.00 135.21 2yrz n PRO 68 Ca -0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 2yrz n PRO 68 Cb 0.44 -1.34 -0.16 0.00 -0.04 0.00 0.00 33.50 32.39 2yrz n PRO 68 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2yrz s ASN 69 N -1.85 3.17 0.00 3.54 2.47 -1.26 -4.90 114.94 116.12 2yrz s ASN 69 Ca 0.16 -0.85 0.15 0.00 0.42 0.00 0.00 52.86 52.74 2yrz s ASN 69 Cb 0.07 -0.94 0.78 0.00 -1.45 0.00 0.00 41.25 39.71 2yrz s ASN 69 CO 0.12 -0.22 1.40 -0.81 -3.72 0.00 0.00 177.10 173.87 2yrz n PRO 70 N 4.84 0.26 -0.03 0.43 -0.04 -1.23 -2.18 135.00 137.04 2yrz n PRO 70 Ca -0.11 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2yrz n PRO 70 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 2yrz n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yrz n ALA 71 N -1.24 2.39 -2.49 0.55 0.00 -1.26 -4.83 120.51 113.63 2yrz n ALA 71 Ca 0.08 -0.75 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 2yrz n ALA 71 Cb 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 2yrz n ALA 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2yrz s GLN 72 N -3.20 3.14 -0.47 0.00 0.74 -0.93 -4.85 119.66 114.10 2yrz s GLN 72 Ca -0.08 -0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.17 2yrz s GLN 72 Cb 0.11 -4.25 0.50 0.00 1.10 0.00 0.00 33.01 30.47 2yrz s GLN 72 CO 0.88 -2.22 1.89 0.25 -0.55 0.00 0.00 175.29 175.54 2yrz n THR 73 N 6.50 3.11 -3.66 -0.34 -2.24 -1.26 -4.84 114.28 111.55 2yrz n THR 73 Ca 0.06 -2.05 -0.07 0.00 -2.27 0.00 0.00 64.05 59.73 2yrz n THR 73 Cb 0.49 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.82 2yrz n THR 73 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yrz s SER 74 N -1.11 -0.77 0.02 3.42 1.04 -1.26 -0.57 113.70 114.47 2yrz s SER 74 Ca 0.52 1.29 0.04 0.00 0.48 0.00 0.00 55.95 58.28 2yrz s SER 74 Cb 0.42 1.39 -0.02 0.00 0.10 0.00 0.00 66.02 67.91 2yrz s SER 74 CO 0.05 -0.22 -0.13 0.54 0.98 0.00 0.00 173.24 174.46 2yrz s VAL 75 N 1.94 0.99 -0.27 5.02 0.11 0.75 -4.98 120.40 123.97 2yrz s VAL 75 Ca -0.08 -0.79 -0.14 0.00 -2.93 0.00 0.00 61.98 58.04 2yrz s VAL 75 Cb -0.08 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2yrz s VAL 75 CO -0.17 0.09 0.31 -0.69 -3.33 0.00 0.00 175.10 171.31 2yrz s VAL 76 N -0.64 5.22 -0.18 2.04 1.01 -1.26 -0.18 120.40 126.42 2yrz s VAL 76 Ca 0.02 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 2yrz s VAL 76 Cb -0.07 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2yrz s VAL 76 CO 0.01 0.19 0.17 -0.69 0.00 0.00 0.00 175.10 174.78 2yrz s VAL 77 N 1.96 5.39 0.32 2.92 1.01 0.30 -4.91 120.40 127.39 2yrz s VAL 77 Ca 0.12 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2yrz s VAL 77 Cb -0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2yrz s VAL 77 CO 0.10 0.45 0.16 -0.62 0.00 0.00 0.00 175.10 175.20 2yrz n GLU 78 N 3.29 0.53 -3.17 2.72 1.02 -1.26 0.13 120.64 123.90 2yrz n GLU 78 Ca -0.16 -2.87 -0.14 0.00 -0.02 0.00 0.00 57.16 53.97 2yrz n GLU 78 Cb 0.52 1.84 0.07 0.00 -0.02 0.00 0.00 31.44 33.85 2yrz n GLU 78 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yrz n ASP 79 N -1.71 -2.44 -4.03 1.62 8.00 -0.94 -4.96 116.55 112.09 2yrz n ASP 79 Ca -0.01 -0.49 -0.19 0.00 0.71 0.00 0.00 54.79 54.82 2yrz n ASP 79 Cb 0.51 -4.18 -0.00 0.00 -0.02 0.00 0.00 41.12 37.43 2yrz n ASP 79 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2yrz n LEU 80 N -3.57 0.00 -4.51 0.64 4.77 -1.24 -5.10 117.00 108.00 2yrz n LEU 80 Ca -0.20 -2.06 -0.33 0.00 -0.03 0.00 0.00 56.01 53.38 2yrz n LEU 80 Cb 0.63 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.57 2yrz n LEU 80 CO 0.49 -0.49 -0.43 -0.76 -1.33 0.00 0.00 177.39 174.87 2yrz s LEU 81 N 0.00 2.86 0.44 2.23 1.43 -1.26 -4.76 118.68 119.63 2yrz s LEU 81 Ca 0.22 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 52.93 2yrz s LEU 81 Cb -0.02 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.53 2yrz s LEU 81 CO 0.14 0.35 1.17 -2.16 0.23 0.00 0.00 176.35 176.08 2yrz s PRO 82 N -0.73 3.84 -1.40 1.29 0.04 -1.26 -3.51 135.00 133.27 2yrz s PRO 82 Ca 0.11 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 2yrz s PRO 82 Cb -0.11 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 31.97 2yrz s PRO 82 CO 0.01 -0.49 0.67 0.09 0.04 0.00 0.00 177.00 177.32 2yrz n ASN 83 N -0.33 -1.67 -3.76 6.66 5.03 -1.12 -4.98 115.26 115.09 2yrz n ASN 83 Ca 0.06 -0.87 -0.15 0.00 0.87 0.00 0.00 54.58 54.49 2yrz n ASN 83 Cb 0.47 -3.68 -0.16 0.00 -1.02 0.00 0.00 39.78 35.40 2yrz n ASN 83 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2yrz s HIS 84 N -3.67 -0.02 0.58 3.10 3.76 -1.23 -4.92 115.29 112.90 2yrz s HIS 84 Ca 0.16 0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.12 2yrz s HIS 84 Cb -0.08 -0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.37 2yrz s HIS 84 CO 0.84 -0.11 1.07 -1.12 -0.85 0.00 0.00 174.74 174.57 2yrz s SER 85 N 1.10 5.75 -0.15 1.40 0.01 -1.26 -3.69 113.70 116.85 2yrz s SER 85 Ca -0.09 1.90 -0.06 0.00 1.31 0.00 0.00 55.95 59.00 2yrz s SER 85 Cb -0.13 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.63 2yrz s SER 85 CO -0.04 -1.19 0.33 -0.31 0.41 0.00 0.00 173.24 172.45 2yrz s TYR 86 N -2.30 -0.54 -0.55 2.43 2.02 -0.55 -1.64 117.35 116.21 2yrz s TYR 86 Ca 0.66 1.15 -0.23 0.00 -0.37 0.00 0.00 57.07 58.28 2yrz s TYR 86 Cb -0.18 0.14 0.05 0.00 -0.40 0.00 0.00 41.96 41.57 2yrz s TYR 86 CO 0.34 -0.36 0.86 0.54 -1.57 0.00 0.00 175.55 175.36 2yrz s VAL 87 N 2.02 4.51 -0.09 0.71 0.11 0.14 -1.10 120.40 126.69 2yrz s VAL 87 Ca -0.04 -0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 58.79 2yrz s VAL 87 Cb -0.11 -4.50 -0.04 0.00 -1.53 0.00 0.00 36.38 30.20 2yrz s VAL 87 CO -0.11 -1.08 0.57 -0.36 -3.33 0.00 0.00 175.10 170.79 2yrz s PHE 88 N 3.62 3.55 -0.31 1.54 0.40 -0.92 -3.17 117.98 122.68 2yrz s PHE 88 Ca 0.25 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.63 2yrz s PHE 88 Cb -0.15 -2.65 0.10 0.00 0.51 0.00 0.00 43.02 40.83 2yrz s PHE 88 CO 0.16 0.15 0.08 1.03 0.70 0.00 0.00 175.22 177.34 2yrz s ARG 89 N 0.63 0.92 0.33 0.44 0.52 0.99 0.14 118.95 122.92 2yrz s ARG 89 Ca 0.31 -1.24 -0.10 0.00 -0.52 0.00 0.00 55.73 54.18 2yrz s ARG 89 Cb -0.16 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.94 2yrz s ARG 89 CO 0.14 -0.95 0.68 0.08 0.02 0.00 0.00 175.30 175.26 2yrz s VAL 90 N 1.45 4.84 0.16 3.52 1.01 -1.21 -2.01 120.40 128.16 2yrz s VAL 90 Ca 0.09 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 2yrz s VAL 90 Cb -0.18 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.57 2yrz s VAL 90 CO -0.20 -0.33 0.54 0.00 0.00 0.00 0.00 175.10 175.12 2yrz s ARG 91 N -3.41 1.24 0.13 2.72 1.70 -0.15 -2.15 118.95 119.04 2yrz s ARG 91 Ca 0.50 -0.58 0.10 0.00 -0.47 0.00 0.00 55.73 55.28 2yrz s ARG 91 Cb -0.11 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2yrz s ARG 91 CO 0.26 -0.53 -0.22 0.00 -1.08 0.00 0.00 175.30 173.74 2yrz s ALA 92 N -3.78 2.57 -0.07 7.88 0.00 -1.26 -1.27 121.76 125.83 2yrz s ALA 92 Ca 0.02 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.61 2yrz s ALA 92 Cb -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2yrz s ALA 92 CO -0.11 0.55 -0.24 -1.14 0.00 0.00 0.00 175.76 174.82 2yrz s GLN 93 N -2.19 2.65 0.25 0.00 0.74 -1.23 -3.20 119.66 116.67 2yrz s GLN 93 Ca 0.17 -0.86 0.03 0.00 0.05 0.00 0.00 55.36 54.74 2yrz s GLN 93 Cb -0.10 -2.15 -0.05 0.00 1.10 0.00 0.00 33.01 31.81 2yrz s GLN 93 CO 0.09 0.29 0.04 -1.54 -0.55 0.00 0.00 175.29 173.62 2yrz s SER 94 N 0.05 1.71 0.42 6.67 1.04 -1.24 -2.05 113.70 120.29 2yrz s SER 94 Ca -0.09 -1.29 0.29 0.00 0.48 0.00 0.00 55.95 55.34 2yrz s SER 94 Cb -0.15 0.04 1.44 0.00 0.10 0.00 0.00 66.02 67.45 2yrz s SER 94 CO 0.05 -0.60 1.54 1.67 0.98 0.00 0.00 173.24 176.89 2yrz n GLN 95 N -0.47 -0.04 0.08 4.02 7.27 -1.26 -1.12 117.38 125.85 2yrz n GLN 95 Ca -0.03 1.26 -0.03 0.00 0.07 0.00 0.00 57.00 58.27 2yrz n GLN 95 Cb 0.65 -2.43 -0.02 0.00 2.41 0.00 0.00 30.24 30.85 2yrz n GLN 95 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2yrz h GLU 96 N 0.00 -0.21 0.00 3.69 4.39 -1.94 -3.50 114.58 117.00 2yrz h GLU 96 Ca 0.86 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.57 2yrz h GLU 96 Cb 2.67 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.37 2yrz h GLU 96 CO -0.52 -0.14 0.00 0.41 -1.16 0.00 0.00 179.01 177.59 2yrz n GLY 97 N 0.46 -0.21 3.67 -3.84 0.00 -0.28 -5.08 105.19 99.90 2yrz n GLY 97 Ca -0.03 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 2yrz n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2yrz s TRP 98 N -2.00 1.94 0.00 1.61 0.52 -1.26 -3.67 118.94 116.08 2yrz s TRP 98 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.21 2yrz s TRP 98 Cb 0.00 -3.99 0.00 0.00 -1.15 0.00 0.00 33.47 28.33 2yrz s TRP 98 CO 0.00 -4.19 0.00 0.41 0.02 0.00 0.00 176.95 173.19 2yrz n GLY 99 N 4.18 0.84 3.54 0.98 0.00 -1.19 -4.99 105.19 108.54 2yrz n GLY 99 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 2yrz n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yrz n ARG 100 N 0.00 0.69 -4.21 1.61 1.74 -1.23 -4.99 116.66 110.27 2yrz n ARG 100 Ca 0.00 -3.01 -0.12 0.00 -0.77 0.00 0.00 57.85 53.95 2yrz n ARG 100 Cb 0.00 0.05 -0.10 0.00 -1.02 0.00 0.00 32.46 31.39 2yrz n ARG 100 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2yrz s GLU 101 N -4.25 1.20 -0.19 5.56 4.04 -1.26 -4.25 118.70 119.55 2yrz s GLU 101 Ca 0.43 -1.63 0.00 0.00 0.04 0.00 0.00 54.97 53.81 2yrz s GLU 101 Cb -0.03 0.20 0.04 0.00 0.02 0.00 0.00 34.13 34.36 2yrz s GLU 101 CO 0.27 -0.36 -0.08 0.50 -1.84 0.00 0.00 175.26 173.75 2yrz s ARG 102 N -4.13 1.80 0.32 -4.83 6.06 -0.91 -4.68 118.95 112.58 2yrz s ARG 102 Ca 0.37 -0.75 -0.29 0.00 -2.50 0.00 0.00 55.73 52.56 2yrz s ARG 102 Cb 0.07 -2.31 -0.10 0.00 0.06 0.00 0.00 34.95 32.67 2yrz s ARG 102 CO 0.11 -0.45 1.36 -2.00 -2.50 0.00 0.00 175.30 171.83 2yrz s GLU 103 N 1.47 4.30 -0.46 5.12 2.12 -1.26 -3.29 118.70 126.70 2yrz s GLU 103 Ca -0.01 2.29 0.05 0.00 0.36 0.00 0.00 54.97 57.67 2yrz s GLU 103 Cb -0.16 -3.06 0.18 0.00 0.26 0.00 0.00 34.13 31.35 2yrz s GLU 103 CO -0.08 -0.29 0.52 0.41 -0.54 0.00 0.00 175.26 175.28 2yrz n GLY 104 N 0.98 0.92 3.77 -1.50 0.00 0.36 -4.83 105.19 104.89 2yrz n GLY 104 Ca 0.01 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 2yrz n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yrz s VAL 105 N 0.42 2.98 0.03 1.61 1.01 -1.26 -2.17 120.40 123.02 2yrz s VAL 105 Ca 0.32 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.16 2yrz s VAL 105 Cb 0.02 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2yrz s VAL 105 CO -0.13 0.10 -0.07 -0.51 0.00 0.00 0.00 175.10 174.49 2yrz s ILE 106 N -1.35 0.47 -0.18 2.22 1.10 -0.26 -4.93 121.20 118.26 2yrz s ILE 106 Ca 0.57 -0.89 0.01 0.00 -0.51 0.00 0.00 60.65 59.83 2yrz s ILE 106 Cb -0.33 -0.52 0.03 0.00 0.15 0.00 0.00 42.46 41.78 2yrz s ILE 106 CO 0.42 -0.29 -0.18 -0.89 -2.11 0.00 0.00 174.94 171.89 2yrz s THR 107 N -1.13 2.00 -0.36 4.00 2.01 -1.26 -1.48 115.64 119.42 2yrz s THR 107 Ca -0.08 -0.98 -0.28 0.00 0.31 0.00 0.00 61.69 60.66 2yrz s THR 107 Cb -0.08 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 2yrz s THR 107 CO 0.00 0.46 1.68 -0.63 -0.69 0.00 0.00 174.62 175.45 2yrz s ILE 108 N 1.30 3.60 -0.38 1.82 -1.09 -1.24 -4.97 121.20 120.24 2yrz s ILE 108 Ca 0.03 0.61 -0.09 0.00 -2.23 0.00 0.00 60.65 58.97 2yrz s ILE 108 Cb -0.14 -3.82 0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2yrz s ILE 108 CO -0.12 -0.53 0.19 -1.61 -1.23 0.00 0.00 174.94 171.64 2yrz s GLU 109 N 5.47 2.68 0.00 2.79 2.02 -1.26 -2.80 118.70 127.60 2yrz s GLU 109 Ca 0.74 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2yrz s GLU 109 Cb -0.20 -3.66 0.00 0.00 0.10 0.00 0.00 34.13 30.38 2yrz s GLU 109 CO 0.33 -0.77 0.00 -1.13 0.02 0.00 0.00 175.26 173.71 2yrz n SER 110 N 4.91 1.37 -2.20 -0.19 3.41 -1.26 -4.79 113.62 114.87 2yrz n SER 110 Ca -0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 2yrz n SER 110 Cb 0.45 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.47 2yrz n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yrz n GLN 111 N -2.53 2.42 -4.24 4.33 10.64 -1.26 -4.94 117.38 121.80 2yrz n GLN 111 Ca 0.00 -2.78 -0.35 0.00 -1.83 0.00 0.00 57.00 52.03 2yrz n GLN 111 Cb 0.35 -2.09 -0.09 0.00 -0.86 0.00 0.00 30.24 27.55 2yrz n GLN 111 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2yrz s VAL 112 N -4.06 4.63 -0.14 -0.39 1.01 -1.26 -5.10 120.40 115.08 2yrz s VAL 112 Ca 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 2yrz s VAL 112 Cb 0.43 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.89 2yrz s VAL 112 CO -0.01 0.60 0.01 -0.55 0.00 0.00 0.00 175.10 175.15 2yrz s SER 113 N -0.94 2.37 0.00 3.32 0.15 -1.26 -5.11 113.70 112.23 2yrz s SER 113 Ca 0.14 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2yrz s SER 113 Cb -0.12 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2yrz s SER 113 CO 0.03 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2yrz n GLY 114 N 5.06 3.22 0.00 9.45 0.00 -1.26 -4.97 105.19 116.69 2yrz n GLY 114 Ca -0.09 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.64 2yrz n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yrz n PRO 115 N -0.80 0.49 -1.03 1.61 -0.04 -1.26 -4.89 135.00 129.08 2yrz n PRO 115 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2yrz n PRO 115 Cb 0.00 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 2yrz n PRO 115 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yrz n SER 116 N -0.86 -0.86 -4.15 3.54 3.41 -1.26 -4.97 113.62 108.47 2yrz n SER 116 Ca 0.09 0.83 -0.10 0.00 -0.26 0.00 0.00 58.87 59.42 2yrz n SER 116 Cb 0.04 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.20 2yrz n SER 116 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yrz s SER 117 N -0.69 0.37 0.00 4.04 0.01 -1.26 -5.22 113.70 110.96 2yrz s SER 117 Ca 0.48 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2yrz s SER 117 Cb -0.69 0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.82 2yrz s SER 117 CO 0.41 -0.71 0.30 0.61 0.41 0.00 0.00 173.24 174.25