#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5i s SER 2 N 0.00 -0.33 0.32 1.61 0.15 -1.26 -5.19 113.70 109.00 1x5i s SER 2 Ca 0.00 0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.95 1x5i s SER 2 Cb 0.00 0.29 -0.06 0.00 -1.71 0.00 0.00 66.02 64.54 1x5i s SER 2 CO 0.00 -0.38 0.06 -0.94 1.20 0.00 0.00 173.24 173.19 1x5i s SER 3 N -1.50 2.25 0.16 5.45 1.04 -1.26 -5.17 113.70 114.68 1x5i s SER 3 Ca 0.01 -1.38 -0.24 0.00 0.48 0.00 0.00 55.95 54.82 1x5i s SER 3 Cb -0.01 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.14 1x5i s SER 3 CO -0.02 -0.62 1.03 -0.83 0.98 0.00 0.00 173.24 173.77 1x5i s GLY 4 N -3.47 -0.05 0.13 7.32 0.00 -1.26 -5.18 107.32 104.81 1x5i s GLY 4 Ca 0.37 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 45.05 1x5i s GLY 4 CO 0.15 1.36 -0.16 -0.45 0.00 0.00 0.00 173.10 174.01 1x5i s SER 5 N -3.21 2.18 -0.15 1.64 0.15 -1.26 -5.14 113.70 107.92 1x5i s SER 5 Ca 0.18 -0.80 -0.04 0.00 0.70 0.00 0.00 55.95 55.98 1x5i s SER 5 Cb -0.02 -0.09 0.07 0.00 -1.71 0.00 0.00 66.02 64.27 1x5i s SER 5 CO 0.04 -0.10 0.20 -0.44 1.20 0.00 0.00 173.24 174.13 1x5i s SER 6 N -2.43 1.05 0.58 5.45 0.01 -1.26 -5.16 113.70 111.94 1x5i s SER 6 Ca 0.10 0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.40 1x5i s SER 6 Cb -0.06 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.55 1x5i s SER 6 CO 0.04 -0.29 0.87 -0.83 0.41 0.00 0.00 173.24 173.45 1x5i s GLY 7 N 2.32 1.64 0.24 3.44 0.00 -1.26 -5.00 107.32 108.69 1x5i s GLY 7 Ca 0.04 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.92 1x5i s GLY 7 CO -0.09 -0.57 1.61 -0.56 0.00 0.00 0.00 173.10 173.49 1x5i h PRO 8 N -0.14 0.44 -5.65 2.90 0.13 -2.01 -3.46 132.00 124.22 1x5i h PRO 8 Ca -0.45 -0.23 -0.21 0.00 -0.87 0.00 0.00 66.00 64.23 1x5i h PRO 8 Cb 1.27 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 1x5i h PRO 8 CO 0.59 0.80 -0.31 0.00 -0.23 0.00 0.00 178.00 178.86 1x5i n ALA 9 N -2.49 -1.04 -2.69 -0.56 0.00 -1.26 -4.86 120.51 107.61 1x5i n ALA 9 Ca -0.02 -0.07 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 1x5i n ALA 9 Cb 0.52 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.73 1x5i n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x5i s THR 10 N -2.37 5.29 -0.31 0.00 -1.32 -1.26 -5.05 115.64 110.62 1x5i s THR 10 Ca 0.28 0.47 -0.01 0.00 -1.21 0.00 0.00 61.69 61.22 1x5i s THR 10 Cb -0.16 -3.61 0.10 0.00 -1.51 0.00 0.00 72.50 67.31 1x5i s THR 10 CO 0.35 0.33 0.09 -1.81 -2.21 0.00 0.00 174.62 171.37 1x5i s ASP 11 N 0.83 4.04 0.29 8.08 1.01 -1.26 -5.12 116.67 124.53 1x5i s ASP 11 Ca 0.14 -1.64 0.11 0.00 0.71 0.00 0.00 52.55 51.87 1x5i s ASP 11 Cb -0.14 -0.91 -0.05 0.00 1.01 0.00 0.00 42.92 42.83 1x5i s ASP 11 CO 0.05 -0.41 -0.16 0.26 0.21 0.00 0.00 175.17 175.12 1x5i s TRP 12 N 1.58 2.22 0.66 4.23 0.52 -1.26 -5.15 118.94 121.73 1x5i s TRP 12 Ca 0.09 -0.43 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 1x5i s TRP 12 Cb -0.17 -1.06 0.08 0.00 -1.15 0.00 0.00 33.47 31.16 1x5i s TRP 12 CO -0.23 0.61 0.92 -0.51 0.02 0.00 0.00 176.95 177.76 1x5i s LEU 13 N -3.50 3.05 0.08 2.99 2.01 -1.26 -5.10 118.68 116.95 1x5i s LEU 13 Ca 0.30 -0.00 0.03 0.00 0.01 0.00 0.00 54.13 54.46 1x5i s LEU 13 Cb -0.02 -2.63 -0.04 0.00 0.01 0.00 0.00 46.19 43.51 1x5i s LEU 13 CO 0.14 -1.53 0.11 -0.94 1.01 0.00 0.00 176.35 175.14 1x5i s SER 14 N -4.56 5.70 0.09 2.29 1.04 -1.26 -5.12 113.70 111.87 1x5i s SER 14 Ca 0.61 0.04 0.08 0.00 0.48 0.00 0.00 55.95 57.16 1x5i s SER 14 Cb -0.09 -1.58 -0.03 0.00 0.10 0.00 0.00 66.02 64.42 1x5i s SER 14 CO 0.42 0.16 -0.21 0.00 0.98 0.00 0.00 173.24 174.60 1x5i s ALA 15 N -1.44 1.81 -0.64 5.32 0.00 -1.26 -5.04 121.76 120.51 1x5i s ALA 15 Ca 0.31 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1x5i s ALA 15 Cb -0.12 -0.28 0.43 0.00 0.00 0.00 0.00 23.12 23.15 1x5i s ALA 15 CO 0.23 0.38 1.87 -0.85 0.00 0.00 0.00 175.76 177.39 1x5i n GLU 16 N 1.31 2.87 -1.24 0.00 0.00 -1.26 -4.56 120.64 117.77 1x5i n GLU 16 Ca -0.19 -3.52 -0.14 0.00 0.00 0.00 0.00 57.16 53.31 1x5i n GLU 16 Cb 0.53 -2.28 0.13 0.00 0.00 0.00 0.00 31.44 29.82 1x5i n GLU 16 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1x5i n THR 17 N -0.79 2.69 -3.64 3.84 5.66 -1.26 -4.94 114.28 115.84 1x5i n THR 17 Ca 0.57 -3.24 -0.13 0.00 -3.05 0.00 0.00 64.05 58.20 1x5i n THR 17 Cb 0.62 -0.68 -0.12 0.00 -1.55 0.00 0.00 70.33 68.60 1x5i n THR 17 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1x5i s PHE 18 N -3.44 -0.50 0.57 1.09 -0.71 -1.26 -5.15 117.98 108.57 1x5i s PHE 18 Ca 0.49 1.02 -0.17 0.00 -1.04 0.00 0.00 56.93 57.23 1x5i s PHE 18 Cb 0.42 0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 1x5i s PHE 18 CO 0.00 -0.40 1.06 -1.21 -1.34 0.00 0.00 175.22 173.33 1x5i s GLU 19 N 2.45 3.41 -0.27 1.99 8.01 -1.26 -4.93 118.70 128.11 1x5i s GLU 19 Ca 0.01 1.29 -0.02 0.00 0.01 0.00 0.00 54.97 56.26 1x5i s GLU 19 Cb -0.12 -2.04 0.09 0.00 -4.31 0.00 0.00 34.13 27.74 1x5i s GLU 19 CO -0.10 -0.74 2.39 0.43 0.01 0.00 0.00 175.26 177.25 1x5i n SER 20 N -1.73 6.16 -2.52 -0.19 7.64 -1.26 -4.48 113.62 117.25 1x5i n SER 20 Ca 0.09 -2.93 -0.33 0.00 1.01 0.00 0.00 58.87 56.71 1x5i n SER 20 Cb 0.53 -1.15 0.04 0.00 -1.01 0.00 0.00 64.21 62.61 1x5i n SER 20 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x5i n ASP 21 N 0.90 6.45 -4.01 6.43 2.03 -1.26 -4.98 116.55 122.11 1x5i n ASP 21 Ca 0.32 -3.78 -0.11 0.00 0.52 0.00 0.00 54.79 51.73 1x5i n ASP 21 Cb 0.60 -0.78 -0.07 0.00 -0.72 0.00 0.00 41.12 40.15 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x5i s LEU 22 N -3.81 0.75 -1.07 -2.67 1.43 -1.26 -5.07 118.68 106.98 1x5i s LEU 22 Ca 0.54 -1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 1x5i s LEU 22 Cb 0.44 1.15 0.27 0.00 0.03 0.00 0.00 46.19 48.07 1x5i s LEU 22 CO -0.19 -1.03 1.06 -1.81 0.23 0.00 0.00 176.35 174.61 1x5i s ASP 23 N -3.10 7.22 0.03 2.29 1.11 0.11 -4.80 116.67 119.52 1x5i s ASP 23 Ca 0.30 -3.42 -0.01 0.00 0.18 0.00 0.00 52.55 49.61 1x5i s ASP 23 Cb 0.03 -2.22 -0.26 0.00 1.07 0.00 0.00 42.92 41.54 1x5i s ASP 23 CO 0.12 -0.35 0.94 -0.08 1.18 0.00 0.00 175.17 176.98 1x5i h GLU 24 N 6.88 0.20 -0.62 8.23 4.81 -1.92 -3.29 114.58 128.86 1x5i h GLU 24 Ca 0.17 -0.34 0.18 0.00 -0.13 0.00 0.00 59.36 59.24 1x5i h GLU 24 Cb 0.90 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1x5i h GLU 24 CO 0.97 1.06 0.98 1.79 -0.73 0.00 0.00 179.01 183.09 1x5i h THR 25 N 0.05 0.06 -3.23 0.32 1.35 -1.97 -3.38 112.91 106.11 1x5i h THR 25 Ca -0.20 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.00 1x5i h THR 25 Cb 1.98 0.16 -0.12 0.00 -1.73 0.00 0.00 68.15 68.44 1x5i h THR 25 CO 0.16 0.00 -0.61 0.00 -0.25 0.00 0.00 175.52 174.82 1x5i s ARG 26 N -4.34 2.92 0.37 4.72 1.70 -1.25 -4.94 118.95 118.13 1x5i s ARG 26 Ca -0.02 -0.56 -0.19 0.00 -0.47 0.00 0.00 55.73 54.48 1x5i s ARG 26 Cb 0.11 -2.76 -0.10 0.00 -0.57 0.00 0.00 34.95 31.63 1x5i s ARG 26 CO 0.36 0.63 0.86 0.14 -1.08 0.00 0.00 175.30 176.21 1x5i s VAL 27 N -1.16 4.48 -0.54 4.99 -7.23 -1.26 -4.62 120.40 115.05 1x5i s VAL 27 Ca 0.22 1.33 -0.27 0.00 -1.81 0.00 0.00 61.98 61.45 1x5i s VAL 27 Cb -0.12 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 1x5i s VAL 27 CO 0.13 -0.18 1.82 -2.16 -0.31 0.00 0.00 175.10 174.40 1x5i s PRO 28 N -2.89 2.82 1.28 4.82 0.04 -1.26 -4.94 135.00 134.86 1x5i s PRO 28 Ca 0.57 0.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.20 1x5i s PRO 28 Cb -0.11 -4.33 0.31 0.00 0.04 0.00 0.00 34.50 30.41 1x5i s PRO 28 CO 0.16 -2.49 0.70 0.39 0.04 0.00 0.00 177.00 175.80 1x5i n GLU 29 N 8.97 -3.71 -1.52 4.56 1.02 -1.26 -4.19 120.64 124.51 1x5i n GLU 29 Ca 0.21 -1.18 -0.53 0.00 -0.02 0.00 0.00 57.16 55.64 1x5i n GLU 29 Cb 0.51 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1x5i n GLU 29 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1x5i n VAL 30 N -5.31 0.64 -1.19 2.62 3.14 -1.26 -4.68 118.33 112.31 1x5i n VAL 30 Ca 0.11 -0.16 -0.29 0.00 -2.96 0.00 0.00 64.34 61.04 1x5i n VAL 30 Cb 0.49 -0.39 0.16 0.00 -1.06 0.00 0.00 33.84 33.03 1x5i n VAL 30 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1x5i s PRO 31 N -0.23 0.85 0.20 1.45 0.04 -1.26 -4.90 135.00 131.14 1x5i s PRO 31 Ca 0.80 0.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 1x5i s PRO 31 Cb -1.03 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 31.90 1x5i s PRO 31 CO 0.54 -2.48 1.57 1.03 0.04 0.00 0.00 177.00 177.70 1x5i h SER 32 N -1.72 -1.27 -5.64 6.66 0.87 -1.70 -3.46 113.55 107.29 1x5i h SER 32 Ca -0.52 0.26 0.26 0.00 -1.23 0.00 0.00 61.79 60.56 1x5i h SER 32 Cb 1.31 0.65 -0.05 0.00 -0.44 0.00 0.00 62.40 63.86 1x5i h SER 32 CO 0.56 -0.30 0.75 -0.94 -0.53 0.00 0.00 176.83 176.38 1x5i s SER 33 N -5.24 0.01 -0.13 6.23 1.04 -1.26 -5.06 113.70 109.28 1x5i s SER 33 Ca -0.14 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 1x5i s SER 33 Cb 0.18 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.67 1x5i s SER 33 CO 0.70 -0.62 0.26 -0.22 0.98 0.00 0.00 173.24 174.33 1x5i s LEU 34 N -3.62 -0.28 0.06 2.42 2.96 -1.26 -3.19 118.68 115.77 1x5i s LEU 34 Ca 0.26 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 1x5i s LEU 34 Cb -0.01 0.67 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 1x5i s LEU 34 CO 0.02 -0.24 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.48 1x5i s HIS 35 N 2.41 2.88 0.09 5.38 5.65 0.22 -4.98 115.29 126.94 1x5i s HIS 35 Ca 0.02 -0.07 0.00 0.00 0.25 0.00 0.00 55.06 55.26 1x5i s HIS 35 Cb -0.12 -1.53 -0.04 0.00 -1.18 0.00 0.00 32.58 29.71 1x5i s HIS 35 CO -0.09 0.43 -0.03 0.14 -0.65 0.00 0.00 174.74 174.55 1x5i s VAL 36 N -1.18 0.40 -0.17 0.89 -7.23 -1.26 0.00 120.40 111.86 1x5i s VAL 36 Ca 0.21 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 1x5i s VAL 36 Cb -0.11 -1.70 0.06 0.00 0.56 0.00 0.00 36.38 35.19 1x5i s VAL 36 CO 0.13 -0.84 0.09 -0.60 -0.31 0.00 0.00 175.10 173.58 1x5i s ARG 37 N -3.91 0.07 -0.09 4.82 3.00 0.25 -4.95 118.95 118.13 1x5i s ARG 37 Ca 0.12 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.73 54.46 1x5i s ARG 37 Cb 0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 34.95 33.18 1x5i s ARG 37 CO -0.05 -0.68 1.52 -1.25 0.00 0.00 0.00 175.30 174.83 1x5i s PRO 38 N 2.14 4.20 0.18 5.12 0.04 -1.26 -0.57 135.00 144.85 1x5i s PRO 38 Ca 0.02 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.17 1x5i s PRO 38 Cb -0.16 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1x5i s PRO 38 CO -0.10 -0.79 -0.14 -0.51 0.04 0.00 0.00 177.00 175.50 1x5i s LEU 39 N 3.82 2.83 0.00 -3.56 1.02 0.16 -4.60 118.68 118.35 1x5i s LEU 39 Ca 0.67 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 54.17 1x5i s LEU 39 Cb -0.29 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.38 1x5i s LEU 39 CO 0.24 0.11 0.45 0.52 0.02 0.00 0.00 176.35 177.69 1x5i n VAL 40 N 0.14 0.00 -1.17 -1.59 0.31 -1.26 -2.10 118.33 112.66 1x5i n VAL 40 Ca -0.11 0.74 0.05 0.00 -0.01 0.00 0.00 64.34 65.00 1x5i n VAL 40 Cb 0.55 -1.04 0.22 0.00 -0.91 0.00 0.00 33.84 32.66 1x5i n VAL 40 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1x5i n THR 41 N -1.68 2.32 -4.01 2.52 -2.24 -1.26 -3.98 114.28 105.94 1x5i n THR 41 Ca 0.00 -2.25 -0.13 0.00 -2.27 0.00 0.00 64.05 59.40 1x5i n THR 41 Cb 0.00 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1x5i n THR 41 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x5i n SER 42 N -0.86 -1.31 -3.15 3.42 3.41 -0.89 -3.14 113.62 111.10 1x5i n SER 42 Ca 0.24 -2.75 0.04 0.00 -0.26 0.00 0.00 58.87 56.14 1x5i n SER 42 Cb 0.90 2.43 -0.01 0.00 -0.26 0.00 0.00 64.21 67.27 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1x5i s ILE 43 N -2.76 -0.97 -0.20 -1.33 1.01 -0.58 0.36 121.20 116.72 1x5i s ILE 43 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 1x5i s ILE 43 Cb -0.01 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1x5i s ILE 43 CO 0.19 0.00 1.29 -0.69 0.00 0.00 0.00 174.94 175.73 1x5i s VAL 44 N 2.86 4.21 -0.43 2.92 1.01 0.27 -2.45 120.40 128.80 1x5i s VAL 44 Ca 0.18 1.44 -0.07 0.00 0.00 0.00 0.00 61.98 63.53 1x5i s VAL 44 Cb -0.14 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.32 1x5i s VAL 44 CO -0.22 -0.23 0.26 -0.69 0.00 0.00 0.00 175.10 174.23 1x5i s VAL 45 N 3.79 3.95 -0.17 2.92 1.01 0.27 0.84 120.40 133.01 1x5i s VAL 45 Ca 0.56 -1.67 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1x5i s VAL 45 Cb -0.21 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1x5i s VAL 45 CO 0.17 -0.62 -0.03 -0.94 0.00 0.00 0.00 175.10 173.69 1x5i s SER 46 N 2.20 4.79 0.39 3.32 1.04 0.10 0.04 113.70 125.58 1x5i s SER 46 Ca 0.05 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1x5i s SER 46 Cb -0.24 -1.79 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 1x5i s SER 46 CO -0.00 0.14 0.11 -2.67 0.98 0.00 0.00 173.24 171.79 1x5i n TRP 47 N 3.74 0.30 -4.02 5.02 2.14 -0.68 0.69 117.44 124.62 1x5i n TRP 47 Ca -0.17 -2.38 -0.09 0.00 2.07 0.00 0.00 57.50 56.93 1x5i n TRP 47 Cb 0.52 -0.06 -0.11 0.00 -0.81 0.00 0.00 31.31 30.86 1x5i n TRP 47 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1x5i s THR 48 N -2.90 0.17 0.71 -1.67 -4.23 -1.19 -4.77 115.64 101.75 1x5i s THR 48 Ca 0.15 -1.20 -0.13 0.00 -1.18 0.00 0.00 61.69 59.33 1x5i s THR 48 Cb 0.01 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 73.20 1x5i s THR 48 CO 0.11 -0.65 1.10 -2.16 -0.54 0.00 0.00 174.62 172.48 1x5i s PRO 49 N -2.24 2.55 0.04 3.99 0.04 -1.26 -4.06 135.00 134.06 1x5i s PRO 49 Ca -0.08 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 61.94 1x5i s PRO 49 Cb -0.04 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1x5i s PRO 49 CO -0.04 -1.43 1.42 -1.25 0.04 0.00 0.00 177.00 175.74 1x5i s PRO 50 N -4.47 4.29 0.60 0.56 0.04 -1.26 -3.74 135.00 131.01 1x5i s PRO 50 Ca 0.64 2.03 0.29 0.00 0.04 0.00 0.00 61.00 64.00 1x5i s PRO 50 Cb -0.19 -3.48 1.28 0.00 0.04 0.00 0.00 34.50 32.15 1x5i s PRO 50 CO 0.48 -0.55 1.67 0.93 0.04 0.00 0.00 177.00 179.57 1x5i h GLU 51 N 7.59 0.00 -5.49 4.56 5.08 -1.93 -3.30 114.58 121.08 1x5i h GLU 51 Ca -0.40 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.33 1x5i h GLU 51 Cb 1.19 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.30 1x5i h GLU 51 CO 0.89 0.00 0.88 1.21 -1.00 0.00 0.00 179.01 180.99 1x5i s ASN 52 N -4.50 6.41 0.36 1.42 3.84 -1.26 -4.82 114.94 116.38 1x5i s ASN 52 Ca -0.04 -1.43 0.25 0.00 0.21 0.00 0.00 52.86 51.86 1x5i s ASN 52 Cb 0.15 -2.45 0.68 0.00 -0.55 0.00 0.00 41.25 39.08 1x5i s ASN 52 CO 0.52 -1.35 1.72 1.56 -2.79 0.00 0.00 177.10 176.77 1x5i h GLN 53 N 9.37 0.00 -0.47 0.43 1.08 -2.00 -3.21 115.11 120.31 1x5i h GLN 53 Ca -0.03 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.31 1x5i h GLN 53 Cb 1.04 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 1x5i h GLN 53 CO 1.21 0.00 0.36 -0.91 -0.95 0.00 0.00 178.83 178.54 1x5i h ASN 54 N 0.00 0.00 -3.26 1.46 4.21 -1.92 -3.40 115.58 112.66 1x5i h ASN 54 Ca 0.00 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.94 1x5i h ASN 54 Cb 0.80 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.95 1x5i h ASN 54 CO 0.00 0.00 -0.03 -0.63 -1.29 0.00 0.00 177.43 175.48 1x5i s ILE 55 N -4.96 4.81 0.06 2.81 1.01 -1.22 0.05 121.20 123.78 1x5i s ILE 55 Ca -0.05 1.22 -0.28 0.00 0.00 0.00 0.00 60.65 61.53 1x5i s ILE 55 Cb 0.19 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1x5i s ILE 55 CO 0.70 0.50 0.91 -0.69 0.00 0.00 0.00 174.94 176.36 1x5i s VAL 56 N -0.74 4.67 -0.10 2.92 1.01 -1.24 -4.94 120.40 121.98 1x5i s VAL 56 Ca 0.30 1.93 0.04 0.00 0.00 0.00 0.00 61.98 64.25 1x5i s VAL 56 Cb -0.19 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1x5i s VAL 56 CO 0.18 0.29 -0.23 -0.69 0.00 0.00 0.00 175.10 174.65 1x5i s VAL 57 N 0.26 2.12 -0.17 2.92 1.01 -1.26 -4.57 120.40 120.71 1x5i s VAL 57 Ca 0.46 -1.00 0.18 0.00 0.00 0.00 0.00 61.98 61.61 1x5i s VAL 57 Cb -0.22 -1.81 -0.25 0.00 0.00 0.00 0.00 36.38 34.10 1x5i s VAL 57 CO 0.27 0.56 0.12 0.54 0.00 0.00 0.00 175.10 176.59 1x5i n ARG 58 N 3.46 0.79 0.00 2.72 5.12 -0.64 -4.91 116.66 123.19 1x5i n ARG 58 Ca -0.19 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1x5i n ARG 58 Cb 0.53 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 1x5i n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x5i n GLY 59 N 1.73 -0.51 3.46 -0.13 0.00 -1.13 -3.47 105.19 105.14 1x5i n GLY 59 Ca -0.28 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1x5i n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5i s TYR 60 N -2.00 2.09 -0.20 1.61 1.51 -1.24 -0.30 117.35 118.82 1x5i s TYR 60 Ca 0.00 -0.63 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1x5i s TYR 60 Cb 0.00 -1.18 0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1x5i s TYR 60 CO 0.00 0.38 -0.14 0.00 -1.11 0.00 0.00 175.55 174.68 1x5i s ALA 61 N -2.88 2.24 -0.04 3.71 0.00 0.11 -3.21 121.76 121.68 1x5i s ALA 61 Ca 0.30 -1.31 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1x5i s ALA 61 Cb 0.03 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1x5i s ALA 61 CO 0.13 -0.69 0.20 0.42 0.00 0.00 0.00 175.76 175.83 1x5i s ILE 62 N 1.30 5.41 0.02 0.00 1.01 -0.62 -2.26 121.20 126.06 1x5i s ILE 62 Ca -0.00 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1x5i s ILE 62 Cb -0.16 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1x5i s ILE 62 CO -0.10 0.45 -0.05 -0.83 0.00 0.00 0.00 174.94 174.41 1x5i s GLY 63 N -1.52 0.31 0.08 6.18 0.00 -0.27 0.02 107.32 112.11 1x5i s GLY 63 Ca 0.23 -0.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.37 1x5i s GLY 63 CO 0.13 -0.50 0.23 -2.52 0.00 0.00 0.00 173.10 170.43 1x5i s TYR 64 N -0.86 0.07 0.00 1.90 1.13 -1.04 -1.18 117.35 117.36 1x5i s TYR 64 Ca -0.07 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 1x5i s TYR 64 Cb -0.06 -0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.79 1x5i s TYR 64 CO -0.00 -0.54 0.00 0.41 -2.51 0.00 0.00 175.55 172.91 1x5i n GLY 65 N 0.12 3.98 3.60 5.49 0.00 -1.23 -2.84 105.19 114.31 1x5i n GLY 65 Ca -0.16 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1x5i n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 66 N -1.75 3.59 0.00 -0.61 1.01 -1.26 -2.29 121.20 119.89 1x5i s ILE 66 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.25 1x5i s ILE 66 Cb 0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1x5i s ILE 66 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.05 1x5i n GLY 67 N 5.32 2.87 3.17 6.18 0.00 -1.26 -4.95 105.19 116.52 1x5i n GLY 67 Ca 0.21 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1x5i n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5i s SER 68 N 0.00 -0.30 0.48 1.61 0.01 -1.21 -4.93 113.70 109.38 1x5i s SER 68 Ca 0.00 0.56 0.27 0.00 1.31 0.00 0.00 55.95 58.10 1x5i s SER 68 Cb 0.00 0.58 1.14 0.00 0.21 0.00 0.00 66.02 67.95 1x5i s SER 68 CO 0.00 -0.11 1.92 1.55 0.41 0.00 0.00 173.24 177.01 1x5i h PRO 69 N 5.64 0.00 -0.86 12.44 0.13 -1.76 -3.14 132.00 144.45 1x5i h PRO 69 Ca -0.26 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.12 1x5i h PRO 69 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1x5i h PRO 69 CO 0.33 0.15 0.95 1.12 -0.23 0.00 0.00 178.00 180.32 1x5i h HIS 70 N 0.00 0.00 0.00 1.56 2.07 -1.94 -2.54 115.15 114.30 1x5i h HIS 70 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1x5i h HIS 70 Cb 0.61 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.59 1x5i h HIS 70 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1x5i n ALA 71 N -2.31 -0.03 -2.79 6.11 0.00 -1.19 -4.69 120.51 115.61 1x5i n ALA 71 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 1x5i n ALA 71 Cb 1.23 0.44 -0.12 0.00 0.00 0.00 0.00 19.45 21.00 1x5i n ALA 71 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x5i s GLN 72 N -2.79 0.63 -0.09 0.00 -0.21 -0.96 -5.05 119.66 111.20 1x5i s GLN 72 Ca 0.00 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.63 1x5i s GLN 72 Cb 0.00 -0.50 0.02 0.00 1.00 0.00 0.00 33.01 33.52 1x5i s GLN 72 CO 0.00 0.11 -0.10 0.99 -2.12 0.00 0.00 175.29 174.17 1x5i s THR 73 N -1.19 1.10 -0.32 -0.19 2.01 -1.26 -2.51 115.64 113.29 1x5i s THR 73 Ca -0.06 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1x5i s THR 73 Cb -0.09 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.40 1x5i s THR 73 CO 0.01 0.36 0.06 -0.63 -0.69 0.00 0.00 174.62 173.73 1x5i s ILE 74 N 1.18 3.47 -0.24 1.82 1.01 0.10 -4.95 121.20 123.59 1x5i s ILE 74 Ca -0.05 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.29 1x5i s ILE 74 Cb -0.14 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1x5i s ILE 74 CO -0.03 -0.12 0.25 -0.54 0.00 0.00 0.00 174.94 174.50 1x5i s LYS 75 N 1.35 4.08 0.31 2.79 1.02 -1.26 -1.58 119.74 126.44 1x5i s LYS 75 Ca -0.03 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 55.85 1x5i s LYS 75 Cb -0.19 -3.57 -0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1x5i s LYS 75 CO 0.01 -0.03 0.03 1.33 -0.92 0.00 0.00 175.35 175.77 1x5i n VAL 76 N 4.49 0.00 -1.09 3.17 0.24 -1.20 -5.04 118.33 118.89 1x5i n VAL 76 Ca -0.12 -1.53 -0.24 0.00 -2.04 0.00 0.00 64.34 60.41 1x5i n VAL 76 Cb 0.52 0.38 0.19 0.00 -1.47 0.00 0.00 33.84 33.46 1x5i n VAL 76 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1x5i n ASP 77 N -1.35 -1.48 -0.39 -1.34 8.00 -1.26 -3.66 116.55 115.07 1x5i n ASP 77 Ca -0.11 -1.10 0.12 0.00 0.71 0.00 0.00 54.79 54.42 1x5i n ASP 77 Cb 0.41 -0.80 0.26 0.00 -0.02 0.00 0.00 41.12 40.97 1x5i n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x5i n TYR 78 N -4.19 0.00 -1.29 1.24 4.11 -1.23 -4.06 117.16 111.75 1x5i n TYR 78 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.77 1x5i n TYR 78 Cb 0.46 -0.06 0.15 0.00 -0.00 0.00 0.00 39.34 39.89 1x5i n TYR 78 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1x5i n LYS 79 N -0.24 2.35 -3.87 -3.48 5.02 -1.26 -4.88 118.16 111.80 1x5i n LYS 79 Ca 0.12 -3.12 -0.36 0.00 -2.02 0.00 0.00 58.31 52.94 1x5i n LYS 79 Cb 0.40 -2.18 -0.13 0.00 -0.02 0.00 0.00 35.03 33.10 1x5i n LYS 79 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1x5i s GLN 80 N -3.43 2.43 0.10 1.97 -1.52 -1.26 -4.97 119.66 112.98 1x5i s GLN 80 Ca 0.58 -1.29 -0.14 0.00 -1.95 0.00 0.00 55.36 52.56 1x5i s GLN 80 Cb 0.48 -3.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.92 1x5i s GLN 80 CO 0.07 -0.66 1.42 -0.09 -0.25 0.00 0.00 175.29 175.78 1x5i h ARG 81 N 8.04 0.72 -3.64 2.91 9.65 -1.89 -3.47 114.38 126.71 1x5i h ARG 81 Ca -0.21 -0.39 -0.07 0.00 -1.10 0.00 0.00 59.98 58.21 1x5i h ARG 81 Cb 1.06 0.02 -0.11 0.00 -1.39 0.00 0.00 29.97 29.55 1x5i h ARG 81 CO 0.56 1.01 -0.16 1.52 2.80 0.00 0.00 179.97 185.69 1x5i s TYR 82 N -4.33 0.20 -0.01 2.20 1.13 -1.26 -1.69 117.35 113.59 1x5i s TYR 82 Ca -0.12 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 54.99 1x5i s TYR 82 Cb 0.09 0.14 0.00 0.00 -1.10 0.00 0.00 41.96 41.09 1x5i s TYR 82 CO 0.84 -0.83 -0.05 -0.47 -2.51 0.00 0.00 175.55 172.53 1x5i s TYR 83 N -3.94 0.50 -0.36 -3.49 6.14 0.11 -4.97 117.35 111.35 1x5i s TYR 83 Ca 0.15 -0.10 -0.13 0.00 0.64 0.00 0.00 57.07 57.63 1x5i s TYR 83 Cb 0.01 -0.37 -0.01 0.00 0.42 0.00 0.00 41.96 42.01 1x5i s TYR 83 CO 0.00 -0.05 0.25 0.99 0.64 0.00 0.00 175.55 177.38 1x5i s THR 84 N 0.15 5.23 -0.35 4.34 2.01 -1.26 -0.57 115.64 125.19 1x5i s THR 84 Ca -0.01 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 1x5i s THR 84 Cb -0.05 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1x5i s THR 84 CO -0.00 -0.08 0.45 -0.63 -0.69 0.00 0.00 174.62 173.66 1x5i s ILE 85 N 1.70 5.08 0.40 1.82 1.01 -1.02 -4.95 121.20 125.23 1x5i s ILE 85 Ca 0.06 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.94 1x5i s ILE 85 Cb -0.18 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1x5i s ILE 85 CO 0.10 -0.19 0.20 -1.61 0.00 0.00 0.00 174.94 173.44 1x5i s GLU 86 N 2.23 2.30 -0.33 2.79 2.02 -1.26 -1.53 118.70 124.91 1x5i s GLU 86 Ca 0.15 -1.73 -0.00 0.00 0.02 0.00 0.00 54.97 53.41 1x5i s GLU 86 Cb -0.16 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1x5i s GLU 86 CO 0.13 -0.07 0.28 0.09 0.02 0.00 0.00 175.26 175.70 1x5i n ASN 87 N -1.26 -2.20 -4.59 -0.19 3.02 -1.19 -5.01 115.26 103.85 1x5i n ASN 87 Ca -0.01 -0.16 -0.26 0.00 -0.03 0.00 0.00 54.58 54.11 1x5i n ASN 87 Cb 0.63 -1.74 -0.10 0.00 -0.61 0.00 0.00 39.78 37.96 1x5i n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5i s LEU 88 N -3.10 2.84 -0.23 3.41 1.43 -1.22 -5.09 118.68 116.72 1x5i s LEU 88 Ca 0.03 -1.22 -0.20 0.00 -1.03 0.00 0.00 54.13 51.70 1x5i s LEU 88 Cb -0.01 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1x5i s LEU 88 CO 0.20 -0.31 0.62 -0.62 0.23 0.00 0.00 176.35 176.46 1x5i s ASP 89 N -3.67 6.62 0.56 2.29 2.15 -1.26 -4.77 116.67 118.58 1x5i s ASP 89 Ca 0.34 0.75 -0.19 0.00 0.43 0.00 0.00 52.55 53.89 1x5i s ASP 89 Cb 0.05 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 1x5i s ASP 89 CO 0.18 -0.31 1.13 -2.16 -0.17 0.00 0.00 175.17 173.83 1x5i s PRO 90 N 2.17 3.29 -0.77 4.34 0.04 -1.26 -3.90 135.00 138.92 1x5i s PRO 90 Ca 0.27 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1x5i s PRO 90 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1x5i s PRO 90 CO 0.09 -0.89 0.65 0.45 0.04 0.00 0.00 177.00 177.34 1x5i n SER 91 N -1.42 -2.41 -3.71 6.66 2.88 -1.16 -4.85 113.62 109.61 1x5i n SER 91 Ca 0.11 -0.38 -0.13 0.00 -1.33 0.00 0.00 58.87 57.14 1x5i n SER 91 Cb 0.51 -3.41 -0.10 0.00 -0.75 0.00 0.00 64.21 60.46 1x5i n SER 91 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5i s SER 92 N -3.77 -0.49 0.11 -3.46 0.01 -1.25 -4.95 113.70 99.90 1x5i s SER 92 Ca 0.05 0.94 -0.30 0.00 1.31 0.00 0.00 55.95 57.95 1x5i s SER 92 Cb -0.02 0.93 -0.06 0.00 0.21 0.00 0.00 66.02 67.08 1x5i s SER 92 CO 0.46 -0.16 1.00 -2.28 0.41 0.00 0.00 173.24 172.66 1x5i s HIS 93 N 0.37 3.75 -0.06 2.43 5.65 -1.26 -2.76 115.29 123.41 1x5i s HIS 93 Ca -0.01 1.74 0.02 0.00 0.25 0.00 0.00 55.06 57.06 1x5i s HIS 93 Cb -0.04 -3.11 0.02 0.00 -1.18 0.00 0.00 32.58 28.27 1x5i s HIS 93 CO -0.01 -0.00 -0.10 0.71 -0.65 0.00 0.00 174.74 174.69 1x5i s TYR 94 N 0.06 1.26 -0.36 3.88 1.51 -0.05 -4.32 117.35 119.33 1x5i s TYR 94 Ca 0.48 -0.45 -0.23 0.00 -1.01 0.00 0.00 57.07 55.87 1x5i s TYR 94 Cb -0.24 -0.96 0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1x5i s TYR 94 CO 0.31 -0.25 0.75 0.08 -1.11 0.00 0.00 175.55 175.32 1x5i s VAL 95 N 0.74 4.77 -0.19 0.71 1.01 -0.97 -2.51 120.40 123.95 1x5i s VAL 95 Ca -0.14 0.82 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 1x5i s VAL 95 Cb -0.15 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1x5i s VAL 95 CO 0.03 -0.40 0.11 -0.63 0.00 0.00 0.00 175.10 174.21 1x5i s ILE 96 N 3.00 5.21 0.13 2.22 1.09 -1.21 -3.53 121.20 128.11 1x5i s ILE 96 Ca 0.30 0.12 0.06 0.00 -1.10 0.00 0.00 60.65 60.02 1x5i s ILE 96 Cb -0.14 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 37.86 1x5i s ILE 96 CO 0.16 0.45 -0.14 0.42 -0.10 0.00 0.00 174.94 175.73 1x5i s THR 97 N 0.32 1.36 -0.12 2.92 -4.23 -0.33 -1.39 115.64 114.17 1x5i s THR 97 Ca 0.07 -1.75 -0.14 0.00 -1.18 0.00 0.00 61.69 58.69 1x5i s THR 97 Cb -0.11 -1.57 0.03 0.00 1.34 0.00 0.00 72.50 72.19 1x5i s THR 97 CO -0.01 -0.42 0.37 -0.22 -0.54 0.00 0.00 174.62 173.79 1x5i s LEU 98 N -2.50 0.61 -0.03 4.79 2.96 -1.24 -1.12 118.68 122.14 1x5i s LEU 98 Ca 0.10 0.63 -0.15 0.00 -0.22 0.00 0.00 54.13 54.49 1x5i s LEU 98 Cb -0.05 1.30 0.03 0.00 0.50 0.00 0.00 46.19 47.97 1x5i s LEU 98 CO 0.03 -0.19 0.32 -1.59 -1.32 0.00 0.00 176.35 173.60 1x5i s LYS 99 N -0.10 0.63 -0.08 1.98 -2.85 -0.96 -1.91 119.74 116.44 1x5i s LYS 99 Ca -0.03 -0.07 -0.11 0.00 -1.00 0.00 0.00 55.97 54.76 1x5i s LYS 99 Cb -0.03 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 1x5i s LYS 99 CO 0.01 -0.16 0.27 0.00 0.10 0.00 0.00 175.35 175.57 1x5i s ALA 100 N -1.07 3.75 0.24 0.59 0.00 -1.26 0.06 121.76 124.07 1x5i s ALA 100 Ca -0.11 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1x5i s ALA 100 Cb -0.05 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1x5i s ALA 100 CO 0.04 0.46 0.01 -0.59 0.00 0.00 0.00 175.76 175.68 1x5i s PHE 101 N -0.74 1.57 0.34 0.00 -0.71 0.59 -2.54 117.98 116.49 1x5i s PHE 101 Ca 0.18 -0.96 -0.04 0.00 -1.04 0.00 0.00 56.93 55.07 1x5i s PHE 101 Cb -0.14 -0.92 0.02 0.00 -1.21 0.00 0.00 43.02 40.76 1x5i s PHE 101 CO 0.07 -0.08 0.52 0.27 -1.34 0.00 0.00 175.22 174.66 1x5i n ASN 102 N -0.44 -1.47 0.15 1.98 6.94 0.12 -1.63 115.26 120.91 1x5i n ASN 102 Ca -0.04 -2.74 0.08 0.00 -0.02 0.00 0.00 54.58 51.86 1x5i n ASN 102 Cb 0.64 2.66 0.42 0.00 -2.36 0.00 0.00 39.78 41.15 1x5i n ASN 102 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1x5i n ASN 103 N -1.62 0.40 -0.11 0.53 5.15 -1.26 -1.56 115.26 116.80 1x5i n ASN 103 Ca -0.01 0.62 -0.23 0.00 -0.60 0.00 0.00 54.58 54.37 1x5i n ASN 103 Cb 0.56 -0.62 -0.11 0.00 -0.53 0.00 0.00 39.78 39.07 1x5i n ASN 103 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1x5i n VAL 104 N -2.08 1.54 -3.39 3.44 0.31 -1.26 -5.10 118.33 111.78 1x5i n VAL 104 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1x5i n VAL 104 Cb 0.19 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1x5i n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x5i n GLY 105 N 1.42 -0.59 3.87 2.92 0.00 -0.60 -5.01 105.19 107.21 1x5i n GLY 105 Ca -0.34 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 1x5i n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5i s GLU 106 N -0.78 2.27 0.00 1.61 8.01 -1.26 0.10 118.70 128.64 1x5i s GLU 106 Ca 0.00 -2.00 0.00 0.00 0.01 0.00 0.00 54.97 52.98 1x5i s GLU 106 Cb 0.00 -2.06 0.00 0.00 -4.31 0.00 0.00 34.13 27.76 1x5i s GLU 106 CO 0.00 -0.51 0.00 0.41 0.01 0.00 0.00 175.26 175.17 1x5i n GLY 107 N -1.65 5.19 3.39 -1.39 0.00 -1.05 -4.81 105.19 104.86 1x5i n GLY 107 Ca -0.03 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5i s ILE 108 N 2.91 4.45 0.94 -0.61 -0.00 -1.26 -4.95 121.20 122.69 1x5i s ILE 108 Ca 0.00 -0.68 -0.12 0.00 -0.00 0.00 0.00 60.65 59.85 1x5i s ILE 108 Cb 0.00 -3.38 0.16 0.00 -0.00 0.00 0.00 42.46 39.24 1x5i s ILE 108 CO 0.00 -0.07 1.09 -2.16 -0.00 0.00 0.00 174.94 173.80 1x5i s PRO 109 N 1.56 0.86 0.37 0.37 0.04 -1.26 -4.00 135.00 132.94 1x5i s PRO 109 Ca 0.03 0.68 0.08 0.00 0.04 0.00 0.00 61.00 61.83 1x5i s PRO 109 Cb -0.18 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1x5i s PRO 109 CO 0.06 -2.48 0.26 -0.51 0.04 0.00 0.00 177.00 174.37 1x5i s LEU 110 N -6.34 3.39 -0.08 -3.56 1.43 -0.81 -4.91 118.68 107.80 1x5i s LEU 110 Ca 0.64 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1x5i s LEU 110 Cb -0.18 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1x5i s LEU 110 CO 0.57 -0.45 -0.22 -0.31 0.23 0.00 0.00 176.35 176.17 1x5i s TYR 111 N -2.42 2.56 0.32 0.29 1.51 -1.26 -3.72 117.35 114.62 1x5i s TYR 111 Ca 0.42 -0.79 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1x5i s TYR 111 Cb -0.03 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1x5i s TYR 111 CO 0.25 -0.26 0.12 -1.21 -1.11 0.00 0.00 175.55 173.34 1x5i s GLU 112 N 0.05 1.62 -0.02 -0.62 8.01 -0.49 -5.00 118.70 122.26 1x5i s GLU 112 Ca -0.09 -1.92 -0.01 0.00 0.01 0.00 0.00 54.97 52.96 1x5i s GLU 112 Cb -0.15 -0.40 0.02 0.00 -4.31 0.00 0.00 34.13 29.28 1x5i s GLU 112 CO 0.06 -0.36 0.04 -1.54 0.01 0.00 0.00 175.26 173.47 1x5i s SER 113 N -3.43 -0.00 -0.12 -0.19 1.04 -1.26 -3.32 113.70 106.42 1x5i s SER 113 Ca 0.34 0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.79 1x5i s SER 113 Cb 0.06 0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1x5i s SER 113 CO 0.15 -0.06 0.26 0.00 0.98 0.00 0.00 173.24 174.57 1x5i s ALA 114 N 0.49 -0.59 -0.43 5.32 0.00 -1.05 -4.95 121.76 120.55 1x5i s ALA 114 Ca -0.04 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 1x5i s ALA 114 Cb -0.06 -0.80 0.11 0.00 0.00 0.00 0.00 23.12 22.37 1x5i s ALA 114 CO -0.02 -0.37 0.25 0.08 0.00 0.00 0.00 175.76 175.71 1x5i s VAL 115 N 1.70 3.73 0.56 0.00 1.01 -1.26 -0.87 120.40 125.26 1x5i s VAL 115 Ca -0.06 -1.83 -0.19 0.00 0.00 0.00 0.00 61.98 59.91 1x5i s VAL 115 Cb -0.11 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 1x5i s VAL 115 CO -0.09 -0.66 0.72 0.35 0.00 0.00 0.00 175.10 175.42 1x5i n THR 116 N 4.75 2.75 -2.39 3.92 -2.24 -1.11 -4.83 114.28 115.13 1x5i n THR 116 Ca -0.06 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.90 1x5i n THR 116 Cb 0.41 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1x5i n THR 116 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x5i s ARG 117 N -2.28 3.83 -0.71 -0.78 0.52 -1.26 -2.97 118.95 115.31 1x5i s ARG 117 Ca 0.70 1.08 -0.26 0.00 -0.52 0.00 0.00 55.73 56.73 1x5i s ARG 117 Cb -0.46 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 1x5i s ARG 117 CO 0.52 -0.37 1.89 -1.25 0.02 0.00 0.00 175.30 176.11 1x5i s PRO 118 N -3.86 2.60 -0.43 3.54 0.04 -1.26 -2.98 135.00 132.64 1x5i s PRO 118 Ca 0.61 0.30 -0.31 0.00 0.04 0.00 0.00 61.00 61.65 1x5i s PRO 118 Cb -0.12 -4.62 -0.14 0.00 0.04 0.00 0.00 34.50 29.66 1x5i s PRO 118 CO 0.29 -2.96 1.65 1.58 0.04 0.00 0.00 177.00 177.60 1x5i n HIS 119 N 13.20 0.78 -4.49 0.56 -0.00 -1.26 -4.89 115.22 119.12 1x5i n HIS 119 Ca 0.27 0.52 -0.24 0.00 0.46 0.00 0.00 57.72 58.73 1x5i n HIS 119 Cb 0.50 -1.70 -0.10 0.00 -0.12 0.00 0.00 29.99 28.57 1x5i n HIS 119 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 1x5i s THR 120 N 4.79 2.43 -0.13 3.57 -1.32 -1.26 -5.12 115.64 118.60 1x5i s THR 120 Ca 0.91 -2.36 0.01 0.00 -1.21 0.00 0.00 61.69 59.04 1x5i s THR 120 Cb -1.08 -2.39 -0.00 0.00 -1.51 0.00 0.00 72.50 67.52 1x5i s THR 120 CO 0.47 -0.35 -0.18 -0.55 -2.21 0.00 0.00 174.62 171.79 1x5i s SER 121 N -3.53 3.53 0.00 8.08 0.15 -1.26 -4.98 113.70 115.68 1x5i s SER 121 Ca 0.31 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1x5i s SER 121 Cb -0.03 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1x5i s SER 121 CO 0.15 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1x5i n GLY 122 N 3.75 -1.47 3.76 9.45 0.00 -1.26 -5.15 105.19 114.28 1x5i n GLY 122 Ca -0.19 0.60 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1x5i n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 123 N 0.00 4.46 -0.62 1.61 0.04 -1.26 -4.99 135.00 134.23 1x5i s PRO 123 Ca 0.00 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 1x5i s PRO 123 Cb 0.00 -3.12 0.14 0.00 0.04 0.00 0.00 34.50 31.56 1x5i s PRO 123 CO 0.00 -0.05 0.62 -1.12 0.04 0.00 0.00 177.00 176.48 1x5i s SER 124 N -0.56 6.32 0.23 6.66 0.01 -1.26 -4.94 113.70 120.17 1x5i s SER 124 Ca 0.48 -1.92 -0.12 0.00 1.31 0.00 0.00 55.95 55.70 1x5i s SER 124 Cb -0.37 -2.23 0.30 0.00 0.21 0.00 0.00 66.02 63.93 1x5i s SER 124 CO 0.48 -0.85 1.61 0.77 0.41 0.00 0.00 173.24 175.65 1x5i h SER 125 N 8.71 -0.66 0.00 2.44 4.64 -2.09 -3.58 113.55 123.01 1x5i h SER 125 Ca -0.20 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1x5i h SER 125 Cb 1.08 0.45 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1x5i h SER 125 CO 0.99 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.32