#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 -0.91 0.32 1.61 0.01 -1.26 -5.17 113.70 108.30 1x5i s SER 2 Ca 0.00 1.42 -0.16 0.00 1.31 0.00 0.00 55.95 58.52 1x5i s SER 2 Cb 0.00 1.86 0.03 0.00 0.21 0.00 0.00 66.02 68.11 1x5i s SER 2 CO 0.00 -0.22 0.69 -0.44 0.41 0.00 0.00 173.24 173.67 1x5i s SER 3 N 2.50 -0.04 -0.34 2.44 0.01 -1.26 -5.11 113.70 111.90 1x5i s SER 3 Ca -0.06 -0.92 0.04 0.00 1.31 0.00 0.00 55.95 56.32 1x5i s SER 3 Cb -0.10 0.75 0.28 0.00 0.21 0.00 0.00 66.02 67.15 1x5i s SER 3 CO -0.18 -1.43 1.30 0.61 0.41 0.00 0.00 173.24 173.95 1x5i n GLY 4 N -0.48 -0.98 0.27 3.44 0.00 -1.26 -5.01 105.19 101.18 1x5i n GLY 4 Ca -0.05 0.55 -0.00 0.00 0.00 0.00 0.00 46.02 46.52 1x5i n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5i h SER 5 N 2.06 0.52 -6.05 1.61 0.87 -2.05 -3.46 113.55 107.04 1x5i h SER 5 Ca -0.34 -0.10 -0.43 0.00 -1.23 0.00 0.00 61.79 59.69 1x5i h SER 5 Cb 1.21 -0.14 0.06 0.00 -0.44 0.00 0.00 62.40 63.09 1x5i h SER 5 CO -0.03 0.58 -0.74 -1.20 -0.53 0.00 0.00 176.83 174.91 1x5i n SER 6 N -4.28 -4.47 -1.61 6.23 7.64 -1.26 -4.62 113.62 111.25 1x5i n SER 6 Ca 0.02 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.21 1x5i n SER 6 Cb 0.24 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 1x5i n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5i n GLY 7 N -1.72 -4.04 3.59 0.23 0.00 -1.26 -4.94 105.19 97.03 1x5i n GLY 7 Ca -0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1x5i n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5i s PRO 8 N -5.30 -1.33 -0.25 1.61 0.04 -1.26 -5.08 135.00 123.42 1x5i s PRO 8 Ca 0.00 -0.10 -0.02 0.00 0.04 0.00 0.00 61.00 60.92 1x5i s PRO 8 Cb 0.00 -1.59 0.14 0.00 0.04 0.00 0.00 34.50 33.09 1x5i s PRO 8 CO 0.00 -3.78 0.38 0.00 0.04 0.00 0.00 177.00 173.64 1x5i s ALA 9 N -3.01 -1.08 -0.10 8.56 0.00 -1.26 -5.13 121.76 119.74 1x5i s ALA 9 Ca 0.71 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 1x5i s ALA 9 Cb -0.09 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.36 1x5i s ALA 9 CO 0.56 -1.32 0.09 0.95 0.00 0.00 0.00 175.76 176.04 1x5i s THR 10 N 2.54 -0.14 -0.45 0.00 -4.23 -1.26 -5.09 115.64 107.02 1x5i s THR 10 Ca 0.12 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1x5i s THR 10 Cb -0.15 -0.34 0.15 0.00 1.34 0.00 0.00 72.50 73.50 1x5i s THR 10 CO -0.18 0.00 0.30 -1.81 -0.54 0.00 0.00 174.62 172.40 1x5i s ASP 11 N 2.19 2.87 -0.55 3.99 1.01 -1.26 -5.02 116.67 119.89 1x5i s ASP 11 Ca 0.04 -2.86 0.05 0.00 0.71 0.00 0.00 52.55 50.49 1x5i s ASP 11 Cb -0.14 -0.76 0.17 0.00 1.01 0.00 0.00 42.92 43.21 1x5i s ASP 11 CO -0.06 -0.22 0.43 -2.67 0.21 0.00 0.00 175.17 172.86 1x5i n TRP 12 N 3.18 1.08 -3.66 4.23 2.14 -1.26 -5.04 117.44 118.12 1x5i n TRP 12 Ca 0.18 -3.79 -0.38 0.00 2.07 0.00 0.00 57.50 55.59 1x5i n TRP 12 Cb 0.40 -0.17 -0.09 0.00 -0.81 0.00 0.00 31.31 30.64 1x5i n TRP 12 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1x5i s LEU 13 N -0.73 5.48 -0.35 5.67 1.43 -1.26 -4.90 118.68 124.01 1x5i s LEU 13 Ca 0.30 -2.66 0.12 0.00 -1.03 0.00 0.00 54.13 50.86 1x5i s LEU 13 Cb 0.01 -1.91 0.45 0.00 0.03 0.00 0.00 46.19 44.77 1x5i s LEU 13 CO -0.18 -0.44 1.06 -1.54 0.23 0.00 0.00 176.35 175.48 1x5i n SER 14 N 3.80 3.14 -1.97 2.29 3.41 -1.26 -4.92 113.62 118.11 1x5i n SER 14 Ca 0.06 -3.13 -0.12 0.00 -0.26 0.00 0.00 58.87 55.41 1x5i n SER 14 Cb 0.40 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 1x5i n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5i n ALA 15 N -0.38 5.82 -3.50 7.33 0.00 -1.26 -4.62 120.51 123.91 1x5i n ALA 15 Ca 0.25 -1.64 -0.29 0.00 0.00 0.00 0.00 53.44 51.76 1x5i n ALA 15 Cb 0.78 -1.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 1x5i n ALA 15 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x5i n GLU 16 N 1.89 2.56 -3.68 0.00 0.28 -1.26 -5.02 120.64 115.42 1x5i n GLU 16 Ca 0.34 -4.62 -0.09 0.00 -0.16 0.00 0.00 57.16 52.63 1x5i n GLU 16 Cb 0.75 -2.29 -0.09 0.00 1.43 0.00 0.00 31.44 31.23 1x5i n GLU 16 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x5i s THR 17 N -2.25 -0.02 0.29 3.84 2.01 -1.26 -5.17 115.64 113.08 1x5i s THR 17 Ca 0.36 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.48 1x5i s THR 17 Cb 0.09 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1x5i s THR 17 CO -0.04 0.02 0.24 -0.36 -0.69 0.00 0.00 174.62 173.79 1x5i s PHE 18 N 1.44 3.02 0.33 4.92 0.08 -1.26 -5.12 117.98 121.39 1x5i s PHE 18 Ca -0.09 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.64 1x5i s PHE 18 Cb -0.07 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.73 1x5i s PHE 18 CO -0.15 0.37 0.71 -1.21 -0.10 0.00 0.00 175.22 174.85 1x5i s GLU 19 N -3.91 3.89 -0.02 0.44 2.02 -1.26 -4.95 118.70 114.92 1x5i s GLU 19 Ca 0.36 0.53 -0.02 0.00 0.02 0.00 0.00 54.97 55.86 1x5i s GLU 19 Cb -0.07 -2.46 -0.08 0.00 0.10 0.00 0.00 34.13 31.62 1x5i s GLU 19 CO 0.26 0.13 2.57 0.43 0.02 0.00 0.00 175.26 178.67 1x5i n SER 20 N -0.61 5.37 -2.36 -0.19 7.64 -1.26 -4.15 113.62 118.06 1x5i n SER 20 Ca 0.03 -2.47 -0.20 0.00 1.01 0.00 0.00 58.87 57.24 1x5i n SER 20 Cb 0.53 -1.23 0.02 0.00 -1.01 0.00 0.00 64.21 62.52 1x5i n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x5i n ASP 21 N 1.79 3.99 -4.93 6.43 8.00 -1.26 -5.07 116.55 125.50 1x5i n ASP 21 Ca 0.16 -3.38 -0.25 0.00 0.71 0.00 0.00 54.79 52.04 1x5i n ASP 21 Cb 0.65 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1x5i n ASP 21 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x5i s LEU 22 N -3.56 3.69 -0.32 0.64 2.01 -1.26 -5.04 118.68 114.84 1x5i s LEU 22 Ca 0.44 0.60 -0.27 0.00 0.01 0.00 0.00 54.13 54.91 1x5i s LEU 22 Cb 0.40 -3.49 0.01 0.00 0.01 0.00 0.00 46.19 43.12 1x5i s LEU 22 CO -0.05 -0.59 0.95 -1.81 1.01 0.00 0.00 176.35 175.87 1x5i s ASP 23 N -4.14 6.80 -0.18 2.29 1.01 0.19 -4.89 116.67 117.74 1x5i s ASP 23 Ca 0.46 0.83 0.16 0.00 0.71 0.00 0.00 52.55 54.72 1x5i s ASP 23 Cb -0.10 -2.48 0.45 0.00 1.01 0.00 0.00 42.92 41.79 1x5i s ASP 23 CO 0.41 -0.79 1.18 1.21 0.21 0.00 0.00 175.17 177.39 1x5i n GLU 24 N 6.63 1.68 -0.00 8.23 0.00 -1.26 0.02 120.64 135.94 1x5i n GLU 24 Ca 0.08 -3.21 0.10 0.00 0.00 0.00 0.00 57.16 54.14 1x5i n GLU 24 Cb 0.48 -1.36 -0.12 0.00 0.00 0.00 0.00 31.44 30.44 1x5i n GLU 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1x5i n THR 25 N -0.54 0.01 -3.98 6.31 -2.24 -1.26 -4.64 114.28 107.94 1x5i n THR 25 Ca 0.20 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1x5i n THR 25 Cb 0.89 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 1x5i n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5i s ARG 26 N -3.12 0.49 0.57 -0.78 1.70 -1.26 -5.02 118.95 111.53 1x5i s ARG 26 Ca 0.05 -0.78 -0.18 0.00 -0.47 0.00 0.00 55.73 54.35 1x5i s ARG 26 Cb 0.16 0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.67 1x5i s ARG 26 CO 0.87 -0.10 1.10 0.14 -1.08 0.00 0.00 175.30 176.23 1x5i s VAL 27 N -2.39 3.36 -0.37 4.99 -7.23 -1.26 -4.72 120.40 112.78 1x5i s VAL 27 Ca -0.07 0.77 -0.28 0.00 -1.81 0.00 0.00 61.98 60.58 1x5i s VAL 27 Cb -0.03 -3.28 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 1x5i s VAL 27 CO -0.04 -0.26 1.71 -2.16 -0.31 0.00 0.00 175.10 174.04 1x5i s PRO 28 N -3.57 3.33 0.89 4.82 0.04 -1.26 -4.96 135.00 134.30 1x5i s PRO 28 Ca 0.69 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 1x5i s PRO 28 Cb -0.21 -4.17 0.08 0.00 0.04 0.00 0.00 34.50 30.24 1x5i s PRO 28 CO 0.31 -1.86 0.85 0.39 0.04 0.00 0.00 177.00 176.72 1x5i n GLU 29 N 8.41 -0.21 -1.04 4.56 1.02 -1.26 -4.22 120.64 127.89 1x5i n GLU 29 Ca 0.21 -0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.98 1x5i n GLU 29 Cb 0.47 -2.16 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 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 -3.68 1.20 -1.19 2.62 3.14 -1.26 -4.83 118.33 114.33 1x5i n VAL 30 Ca 0.10 -0.30 -0.29 0.00 -2.96 0.00 0.00 64.34 60.89 1x5i n VAL 30 Cb 0.52 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 33.45 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 -0.60 0.91 0.22 1.45 0.04 -1.26 -4.74 135.00 131.02 1x5i s PRO 31 Ca 0.51 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 1x5i s PRO 31 Cb -0.73 -1.78 0.30 0.00 0.04 0.00 0.00 34.50 32.33 1x5i s PRO 31 CO 0.41 -2.45 1.65 0.66 0.04 0.00 0.00 177.00 177.31 1x5i h SER 32 N -1.70 -0.38 -1.51 6.66 4.64 -1.74 -3.47 113.55 116.06 1x5i h SER 32 Ca -0.52 0.17 0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1x5i h SER 32 Cb 1.30 0.32 -0.03 0.00 -0.31 0.00 0.00 62.40 63.68 1x5i h SER 32 CO 0.56 -0.15 0.48 -1.54 -0.87 0.00 0.00 176.83 175.30 1x5i n SER 33 N -5.34 -0.85 -3.40 4.97 3.41 -1.26 -5.05 113.62 106.11 1x5i n SER 33 Ca 0.09 -1.30 -0.07 0.00 -0.26 0.00 0.00 58.87 57.33 1x5i n SER 33 Cb 0.37 1.35 -0.07 0.00 -0.26 0.00 0.00 64.21 65.59 1x5i n SER 33 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x5i s LEU 34 N 0.00 -0.75 0.08 1.04 2.96 -1.26 -3.46 118.68 117.28 1x5i s LEU 34 Ca 0.17 0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1x5i s LEU 34 Cb -0.01 1.34 -0.05 0.00 0.50 0.00 0.00 46.19 47.97 1x5i s LEU 34 CO 0.01 -0.28 0.32 -2.28 -1.32 0.00 0.00 176.35 172.80 1x5i s HIS 35 N 2.61 3.53 -0.03 5.38 5.65 0.13 -4.91 115.29 127.65 1x5i s HIS 35 Ca 0.10 0.54 0.01 0.00 0.25 0.00 0.00 55.06 55.95 1x5i s HIS 35 Cb -0.15 -1.98 0.02 0.00 -1.18 0.00 0.00 32.58 29.30 1x5i s HIS 35 CO -0.16 0.53 -0.01 0.14 -0.65 0.00 0.00 174.74 174.59 1x5i s VAL 36 N -1.49 0.23 -0.28 0.89 -7.23 -1.26 -1.08 120.40 110.17 1x5i s VAL 36 Ca 0.35 0.02 0.01 0.00 -1.81 0.00 0.00 61.98 60.55 1x5i s VAL 36 Cb -0.13 -0.29 0.06 0.00 0.56 0.00 0.00 36.38 36.58 1x5i s VAL 36 CO 0.22 0.14 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.48 1x5i s ARG 37 N 0.79 2.33 0.07 4.82 3.52 -0.71 -4.88 118.95 124.89 1x5i s ARG 37 Ca -0.08 -1.31 -0.31 0.00 -0.13 0.00 0.00 55.73 53.90 1x5i s ARG 37 Cb -0.11 -3.00 -0.07 0.00 -1.56 0.00 0.00 34.95 30.20 1x5i s ARG 37 CO -0.01 -0.59 1.39 -1.25 -0.81 0.00 0.00 175.30 174.03 1x5i s PRO 38 N 1.16 4.31 0.19 5.12 0.04 -1.26 -1.10 135.00 143.46 1x5i s PRO 38 Ca -0.07 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.10 1x5i s PRO 38 Cb -0.20 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1x5i s PRO 38 CO -0.03 -0.49 -0.23 -0.51 0.04 0.00 0.00 177.00 175.78 1x5i s LEU 39 N 1.62 2.44 0.00 -3.56 1.02 0.18 -4.47 118.68 115.91 1x5i s LEU 39 Ca 0.64 -0.87 0.00 0.00 0.02 0.00 0.00 54.13 53.92 1x5i s LEU 39 Cb -0.35 -1.12 0.00 0.00 0.02 0.00 0.00 46.19 44.74 1x5i s LEU 39 CO 0.29 0.10 0.44 0.52 0.02 0.00 0.00 176.35 177.72 1x5i n VAL 40 N 0.25 0.00 -1.33 -1.59 0.31 -1.26 -2.03 118.33 112.68 1x5i n VAL 40 Ca -0.12 0.68 0.08 0.00 -0.01 0.00 0.00 64.34 64.97 1x5i n VAL 40 Cb 0.56 -0.92 0.18 0.00 -0.91 0.00 0.00 33.84 32.74 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 -2.19 2.06 -4.00 2.52 -2.24 -1.26 -3.51 114.28 105.66 1x5i n THR 41 Ca 0.00 -2.74 -0.13 0.00 -2.27 0.00 0.00 64.05 58.91 1x5i n THR 41 Cb 0.00 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1x5i n THR 41 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x5i n SER 42 N -1.27 -1.29 -3.20 3.42 7.64 -0.86 -2.71 113.62 115.35 1x5i n SER 42 Ca 0.18 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.35 1x5i n SER 42 Cb 0.68 2.39 -0.02 0.00 -1.01 0.00 0.00 64.21 66.24 1x5i n SER 42 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1x5i s ILE 43 N -2.74 -0.90 -0.78 0.44 1.01 -0.34 0.48 121.20 118.36 1x5i s ILE 43 Ca 0.26 -0.05 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 1x5i s ILE 43 Cb -0.01 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1x5i s ILE 43 CO 0.18 -0.05 1.64 -0.69 0.00 0.00 0.00 174.94 176.03 1x5i s VAL 44 N 2.77 3.58 -0.68 2.92 1.01 -0.26 -2.09 120.40 127.65 1x5i s VAL 44 Ca 0.15 -0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 1x5i s VAL 44 Cb -0.13 -4.43 0.06 0.00 0.00 0.00 0.00 36.38 31.88 1x5i s VAL 44 CO -0.23 -1.37 1.03 -0.69 0.00 0.00 0.00 175.10 173.85 1x5i s VAL 45 N 7.63 4.19 -0.20 2.92 1.01 0.14 -1.74 120.40 134.34 1x5i s VAL 45 Ca 0.55 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1x5i s VAL 45 Cb -0.08 -4.74 -0.03 0.00 0.00 0.00 0.00 36.38 31.53 1x5i s VAL 45 CO 0.09 -1.54 0.04 -0.55 0.00 0.00 0.00 175.10 173.14 1x5i s SER 46 N 3.68 5.32 0.22 3.32 0.15 -0.24 0.05 113.70 126.20 1x5i s SER 46 Ca 0.25 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.88 1x5i s SER 46 Cb -0.15 -1.92 -0.01 0.00 -1.71 0.00 0.00 66.02 62.24 1x5i s SER 46 CO 0.11 0.11 0.06 -2.67 1.20 0.00 0.00 173.24 172.06 1x5i n TRP 47 N 3.92 0.19 -4.01 3.44 2.14 -0.22 0.21 117.44 123.10 1x5i n TRP 47 Ca -0.17 -1.34 -0.08 0.00 2.07 0.00 0.00 57.50 57.99 1x5i n TRP 47 Cb 0.52 -0.04 -0.09 0.00 -0.81 0.00 0.00 31.31 30.89 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 -2.25 0.19 0.81 -1.67 -4.23 -1.22 -4.73 115.64 102.53 1x5i s THR 48 Ca 0.08 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.90 1x5i s THR 48 Cb 0.00 -1.45 0.08 0.00 1.34 0.00 0.00 72.50 72.47 1x5i s THR 48 CO 0.06 -0.88 1.09 -2.16 -0.54 0.00 0.00 174.62 172.19 1x5i s PRO 49 N -3.88 1.98 0.09 3.99 0.04 -1.26 -4.32 135.00 131.64 1x5i s PRO 49 Ca 0.06 1.08 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 1x5i s PRO 49 Cb 0.07 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 1x5i s PRO 49 CO -0.10 -1.81 1.38 -1.25 0.04 0.00 0.00 177.00 175.25 1x5i s PRO 50 N -4.91 4.32 0.27 0.56 0.04 -1.26 -3.31 135.00 130.71 1x5i s PRO 50 Ca 0.62 2.03 0.15 0.00 0.04 0.00 0.00 61.00 63.83 1x5i s PRO 50 Cb -0.17 -3.32 0.97 0.00 0.04 0.00 0.00 34.50 32.01 1x5i s PRO 50 CO 0.56 -0.45 1.17 -1.91 0.04 0.00 0.00 177.00 176.41 1x5i n GLU 51 N 4.22 -0.05 -3.07 4.56 2.13 -1.26 -3.42 120.64 123.75 1x5i n GLU 51 Ca 0.12 1.03 -0.43 0.00 0.66 0.00 0.00 57.16 58.53 1x5i n GLU 51 Cb 0.43 -1.83 -0.06 0.00 0.27 0.00 0.00 31.44 30.25 1x5i n GLU 51 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1x5i s ASN 52 N -4.67 6.27 0.14 4.31 2.47 -1.26 -4.90 114.94 117.30 1x5i s ASN 52 Ca -0.07 -0.67 0.03 0.00 0.42 0.00 0.00 52.86 52.57 1x5i s ASN 52 Cb 0.25 -2.33 -0.09 0.00 -1.45 0.00 0.00 41.25 37.63 1x5i s ASN 52 CO 0.58 -0.95 1.32 1.56 -3.72 0.00 0.00 177.10 175.89 1x5i h GLN 53 N 9.05 0.15 -0.93 0.43 1.08 -1.98 -3.29 115.11 119.62 1x5i h GLN 53 Ca -0.27 -0.20 0.33 0.00 -1.45 0.00 0.00 58.65 57.06 1x5i h GLN 53 Cb 1.09 0.06 -0.17 0.00 -0.05 0.00 0.00 27.48 28.41 1x5i h GLN 53 CO 0.98 1.00 0.28 0.09 -0.95 0.00 0.00 178.83 180.22 1x5i n ASN 54 N -3.57 0.12 -4.68 1.46 3.02 -1.26 -4.21 115.26 106.14 1x5i n ASN 54 Ca -0.03 1.57 -0.42 0.00 -0.03 0.00 0.00 54.58 55.66 1x5i n ASN 54 Cb 0.87 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1x5i n ASN 54 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1x5i s ILE 55 N -5.65 3.49 0.31 2.41 1.01 -1.24 0.56 121.20 122.08 1x5i s ILE 55 Ca -0.10 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 1x5i s ILE 55 Cb 0.30 -3.55 -0.10 0.00 0.01 0.00 0.00 42.46 39.11 1x5i s ILE 55 CO 0.73 -0.01 1.36 -0.69 0.00 0.00 0.00 174.94 176.32 1x5i s VAL 56 N 2.71 2.64 -0.24 2.92 1.01 0.10 -4.90 120.40 124.65 1x5i s VAL 56 Ca 0.68 0.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 1x5i s VAL 56 Cb -0.34 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1x5i s VAL 56 CO 0.28 0.13 0.01 -0.69 0.00 0.00 0.00 175.10 174.84 1x5i s VAL 57 N -0.83 1.05 0.19 2.92 1.01 -1.26 -4.56 120.40 118.93 1x5i s VAL 57 Ca 0.52 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1x5i s VAL 57 Cb -0.41 -1.51 -0.11 0.00 0.00 0.00 0.00 36.38 34.35 1x5i s VAL 57 CO 0.51 -0.27 1.45 0.03 0.00 0.00 0.00 175.10 176.82 1x5i h ARG 58 N 8.08 0.21 0.00 2.72 2.47 -1.91 -3.44 114.38 122.50 1x5i h ARG 58 Ca -0.16 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1x5i h ARG 58 Cb 1.08 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1x5i h ARG 58 CO 0.40 0.88 0.00 0.41 0.56 0.00 0.00 179.97 182.22 1x5i n GLY 59 N 0.65 -1.23 3.09 0.04 0.00 -1.23 -3.26 105.19 103.26 1x5i n GLY 59 Ca -0.03 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.00 0.74 -0.16 1.61 1.51 -1.02 -3.09 117.35 113.94 1x5i s TYR 60 Ca 0.00 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1x5i s TYR 60 Cb 0.00 -0.44 0.01 0.00 -0.11 0.00 0.00 41.96 41.42 1x5i s TYR 60 CO 0.00 -0.09 -0.18 0.00 -1.11 0.00 0.00 175.55 174.17 1x5i s ALA 61 N -1.84 2.41 -0.06 3.71 0.00 -0.97 -1.96 121.76 123.04 1x5i s ALA 61 Ca -0.05 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1x5i s ALA 61 Cb -0.07 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1x5i s ALA 61 CO -0.01 -0.13 -0.02 0.42 0.00 0.00 0.00 175.76 176.03 1x5i s ILE 62 N 0.97 4.10 -0.07 0.00 1.01 -0.04 -2.13 121.20 125.03 1x5i s ILE 62 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1x5i s ILE 62 Cb -0.15 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.61 1x5i s ILE 62 CO -0.04 0.55 -0.01 -0.83 0.00 0.00 0.00 174.94 174.61 1x5i s GLY 63 N -1.03 0.47 0.42 6.18 0.00 -0.46 -0.21 107.32 112.69 1x5i s GLY 63 Ca 0.15 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.82 1x5i s GLY 63 CO 0.04 1.03 0.13 -2.52 0.00 0.00 0.00 173.10 171.77 1x5i s TYR 64 N 1.80 2.49 0.00 1.90 1.13 -1.15 -0.42 117.35 123.09 1x5i s TYR 64 Ca 0.02 -0.65 0.00 0.00 -1.41 0.00 0.00 57.07 55.04 1x5i s TYR 64 Cb -0.13 -1.88 0.00 0.00 -1.10 0.00 0.00 41.96 38.85 1x5i s TYR 64 CO -0.05 0.24 0.00 0.41 -2.51 0.00 0.00 175.55 173.65 1x5i n GLY 65 N -1.18 3.48 3.65 5.49 0.00 -1.22 -3.35 105.19 112.05 1x5i n GLY 65 Ca -0.03 -0.26 -0.57 0.00 0.00 0.00 0.00 46.02 45.16 1x5i n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5i n ILE 66 N 0.00 0.27 0.00 -0.61 5.41 -1.26 -2.38 119.36 120.79 1x5i n ILE 66 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1x5i n ILE 66 Cb 0.00 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 1x5i n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x5i n GLY 67 N 4.73 1.13 3.21 7.39 0.00 -1.25 -4.77 105.19 115.63 1x5i n GLY 67 Ca 0.30 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 3.74 0.00 1.61 0.01 -1.05 -4.77 113.70 113.24 1x5i s SER 68 Ca 0.00 -0.57 0.13 0.00 1.31 0.00 0.00 55.95 56.82 1x5i s SER 68 Cb 0.00 -1.60 0.79 0.00 0.21 0.00 0.00 66.02 65.42 1x5i s SER 68 CO 0.00 -0.02 1.21 -0.81 0.41 0.00 0.00 173.24 174.03 1x5i n PRO 69 N 4.70 0.49 -0.80 12.44 -0.04 -1.23 -3.85 135.00 146.70 1x5i n PRO 69 Ca -0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.18 1x5i n PRO 69 Cb 0.50 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1x5i n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5i n HIS 70 N -0.92 0.29 -0.06 0.54 8.25 -1.26 -3.76 115.22 118.29 1x5i n HIS 70 Ca 0.10 -1.36 -0.13 0.00 -0.26 0.00 0.00 57.72 56.07 1x5i n HIS 70 Cb 0.05 -1.02 -0.04 0.00 1.12 0.00 0.00 29.99 30.10 1x5i n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5i n ALA 71 N 1.69 1.81 -3.11 -1.41 0.00 -1.21 -5.07 120.51 113.21 1x5i n ALA 71 Ca 0.23 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1x5i n ALA 71 Cb 0.66 0.21 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 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 -2.42 0.42 -0.05 0.00 -0.21 -1.22 -5.06 119.66 111.12 1x5i s GLN 72 Ca -0.21 -0.20 0.06 0.00 0.02 0.00 0.00 55.36 55.03 1x5i s GLN 72 Cb 0.06 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.24 1x5i s GLN 72 CO 0.28 -0.10 -0.25 0.99 -2.12 0.00 0.00 175.29 174.10 1x5i s THR 73 N -0.96 2.05 -0.23 -0.19 2.01 -1.26 -2.96 115.64 114.09 1x5i s THR 73 Ca -0.10 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.82 1x5i s THR 73 Cb -0.06 -1.73 0.07 0.00 0.01 0.00 0.00 72.50 70.79 1x5i s THR 73 CO 0.01 0.57 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.88 1x5i s ILE 74 N -0.21 1.14 -0.37 1.82 1.01 0.71 -4.97 121.20 120.33 1x5i s ILE 74 Ca -0.02 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 1x5i s ILE 74 Cb -0.13 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1x5i s ILE 74 CO 0.03 -0.22 0.27 -0.54 0.00 0.00 0.00 174.94 174.48 1x5i s LYS 75 N 1.56 3.25 0.23 2.79 1.02 -1.26 -0.86 119.74 126.47 1x5i s LYS 75 Ca -0.02 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.23 1x5i s LYS 75 Cb -0.18 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 1x5i s LYS 75 CO -0.09 -0.59 0.11 0.14 -0.92 0.00 0.00 175.35 174.00 1x5i s VAL 76 N 1.71 4.10 1.10 3.17 -7.23 -0.83 -4.97 120.40 117.44 1x5i s VAL 76 Ca 0.06 -1.49 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 1x5i s VAL 76 Cb -0.18 -3.17 0.22 0.00 0.56 0.00 0.00 36.38 33.81 1x5i s VAL 76 CO 0.10 -0.29 0.47 0.47 -0.31 0.00 0.00 175.10 175.55 1x5i n ASP 77 N -0.84 -3.25 0.15 4.85 9.92 -1.26 -2.43 116.55 123.68 1x5i n ASP 77 Ca -0.08 -0.50 0.07 0.00 -0.53 0.00 0.00 54.79 53.76 1x5i n ASP 77 Cb 0.57 -0.82 0.06 0.00 -0.64 0.00 0.00 41.12 40.29 1x5i n ASP 77 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1x5i h TYR 78 N -2.92 0.00 -0.13 1.24 -0.00 -1.85 -3.33 116.97 109.98 1x5i h TYR 78 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.38 1x5i h TYR 78 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.55 1x5i h TYR 78 CO -3.27 0.24 0.11 1.63 -0.00 0.00 0.00 178.16 176.87 1x5i n LYS 79 N -3.04 1.21 -4.17 0.10 4.76 -1.26 -4.78 118.16 110.99 1x5i n LYS 79 Ca 0.01 -0.41 -0.29 0.00 -2.87 0.00 0.00 58.31 54.75 1x5i n LYS 79 Cb 0.64 -1.16 -0.17 0.00 -1.84 0.00 0.00 35.03 32.51 1x5i n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1x5i s GLN 80 N -0.48 2.07 -0.09 1.97 -1.52 -1.25 -5.00 119.66 115.36 1x5i s GLN 80 Ca 0.08 -0.48 0.06 0.00 -1.95 0.00 0.00 55.36 53.07 1x5i s GLN 80 Cb 0.06 -1.88 -0.24 0.00 -0.22 0.00 0.00 33.01 30.73 1x5i s GLN 80 CO -0.00 -0.17 0.48 -2.13 -0.25 0.00 0.00 175.29 173.22 1x5i n ARG 81 N 4.57 0.68 -4.04 2.91 0.00 -1.26 -4.96 116.66 114.57 1x5i n ARG 81 Ca -0.17 0.26 -0.10 0.00 -0.00 0.00 0.00 57.85 57.84 1x5i n ARG 81 Cb 0.50 -1.73 -0.07 0.00 0.00 0.00 0.00 32.46 31.17 1x5i n ARG 81 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.63 179.15 1x5i s TYR 82 N -2.57 0.55 -0.04 -0.14 1.13 -1.26 -1.06 117.35 113.96 1x5i s TYR 82 Ca -0.12 -0.88 -0.01 0.00 -1.41 0.00 0.00 57.07 54.65 1x5i s TYR 82 Cb 0.07 -0.02 0.03 0.00 -1.10 0.00 0.00 41.96 40.95 1x5i s TYR 82 CO 0.80 -0.87 0.08 -0.47 -2.51 0.00 0.00 175.55 172.57 1x5i s TYR 83 N -4.04 -0.04 -0.58 -3.49 5.04 0.11 -4.96 117.35 109.38 1x5i s TYR 83 Ca 0.25 0.28 -0.21 0.00 -2.44 0.00 0.00 57.07 54.95 1x5i s TYR 83 Cb 0.02 -0.21 0.07 0.00 0.35 0.00 0.00 41.96 42.18 1x5i s TYR 83 CO 0.08 -0.13 0.81 0.99 -1.34 0.00 0.00 175.55 175.96 1x5i s THR 84 N 1.27 4.60 -0.56 4.34 2.01 -1.26 -0.69 115.64 125.35 1x5i s THR 84 Ca -0.07 -0.41 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1x5i s THR 84 Cb -0.12 -4.51 0.04 0.00 0.01 0.00 0.00 72.50 67.92 1x5i s THR 84 CO -0.04 -1.14 0.97 -0.63 -0.69 0.00 0.00 174.62 173.09 1x5i s ILE 85 N 3.34 4.34 0.49 1.82 1.01 -0.89 -4.90 121.20 126.42 1x5i s ILE 85 Ca 0.19 0.34 0.08 0.00 0.00 0.00 0.00 60.65 61.26 1x5i s ILE 85 Cb -0.18 -4.56 0.03 0.00 0.01 0.00 0.00 42.46 37.76 1x5i s ILE 85 CO 0.12 -1.15 0.57 -1.61 0.00 0.00 0.00 174.94 172.87 1x5i s GLU 86 N 4.07 2.48 -0.35 2.79 2.02 -1.26 -1.20 118.70 127.25 1x5i s GLU 86 Ca 0.32 -1.58 -0.01 0.00 0.02 0.00 0.00 54.97 53.71 1x5i s GLU 86 Cb -0.12 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1x5i s GLU 86 CO 0.20 -0.52 0.30 0.09 0.02 0.00 0.00 175.26 175.35 1x5i n ASN 87 N -1.90 -2.61 -4.42 -0.19 3.02 -1.16 -4.98 115.26 103.01 1x5i n ASN 87 Ca 0.08 -0.16 -0.24 0.00 -0.03 0.00 0.00 54.58 54.23 1x5i n ASN 87 Cb 0.61 -1.75 -0.11 0.00 -0.61 0.00 0.00 39.78 37.92 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 -2.96 2.50 -0.08 3.41 1.43 -1.10 -5.07 118.68 116.82 1x5i s LEU 88 Ca 0.08 -0.94 -0.22 0.00 -1.03 0.00 0.00 54.13 52.02 1x5i s LEU 88 Cb -0.04 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 1x5i s LEU 88 CO 0.20 0.05 0.65 -0.62 0.23 0.00 0.00 176.35 176.86 1x5i s ASP 89 N -3.05 6.92 0.44 2.29 2.15 -1.26 -4.55 116.67 119.61 1x5i s ASP 89 Ca 0.24 1.10 -0.24 0.00 0.43 0.00 0.00 52.55 54.08 1x5i s ASP 89 Cb -0.06 -2.38 -0.08 0.00 -0.30 0.00 0.00 42.92 40.10 1x5i s ASP 89 CO 0.11 -0.09 1.17 -2.16 -0.17 0.00 0.00 175.17 174.03 1x5i s PRO 90 N 0.76 3.84 -0.28 4.34 0.04 -1.23 -4.06 135.00 138.42 1x5i s PRO 90 Ca 0.35 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 1x5i s PRO 90 Cb -0.17 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1x5i s PRO 90 CO 0.16 -0.49 0.24 0.45 0.04 0.00 0.00 177.00 177.40 1x5i n SER 91 N -0.31 -2.59 -3.65 6.66 2.88 -1.24 -4.94 113.62 110.44 1x5i n SER 91 Ca 0.06 -0.17 -0.07 0.00 -1.33 0.00 0.00 58.87 57.37 1x5i n SER 91 Cb 0.47 -1.67 -0.07 0.00 -0.75 0.00 0.00 64.21 62.19 1x5i n SER 91 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5i s SER 92 N -3.22 -0.93 -0.06 -3.46 1.04 -1.26 -4.95 113.70 100.87 1x5i s SER 92 Ca 0.06 1.47 -0.30 0.00 0.48 0.00 0.00 55.95 57.66 1x5i s SER 92 Cb -0.01 1.41 -0.02 0.00 0.10 0.00 0.00 66.02 67.50 1x5i s SER 92 CO 0.18 -0.23 1.06 -2.28 0.98 0.00 0.00 173.24 172.95 1x5i s HIS 93 N 1.73 3.46 -0.05 5.02 5.65 -1.26 -2.21 115.29 127.63 1x5i s HIS 93 Ca -0.10 1.50 0.05 0.00 0.25 0.00 0.00 55.06 56.77 1x5i s HIS 93 Cb -0.06 -3.25 -0.02 0.00 -1.18 0.00 0.00 32.58 28.07 1x5i s HIS 93 CO -0.19 -0.52 -0.20 0.71 -0.65 0.00 0.00 174.74 173.89 1x5i s TYR 94 N 1.78 2.54 -0.55 3.88 1.51 0.33 -3.86 117.35 122.98 1x5i s TYR 94 Ca 0.52 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 55.98 1x5i s TYR 94 Cb -0.21 -1.60 0.09 0.00 -0.11 0.00 0.00 41.96 40.13 1x5i s TYR 94 CO 0.22 -0.01 0.64 0.08 -1.11 0.00 0.00 175.55 175.37 1x5i s VAL 95 N -0.47 4.91 0.03 0.71 1.01 -1.00 -2.45 120.40 123.14 1x5i s VAL 95 Ca 0.06 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1x5i s VAL 95 Cb -0.12 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 1x5i s VAL 95 CO 0.01 -0.97 0.53 -0.63 0.00 0.00 0.00 175.10 174.04 1x5i s ILE 96 N 2.47 4.86 0.09 2.22 1.09 -1.25 -3.41 121.20 127.27 1x5i s ILE 96 Ca 0.11 1.12 0.04 0.00 -1.10 0.00 0.00 60.65 60.82 1x5i s ILE 96 Cb -0.23 -3.86 -0.03 0.00 -1.06 0.00 0.00 42.46 37.27 1x5i s ILE 96 CO 0.07 0.52 -0.11 0.42 -0.10 0.00 0.00 174.94 175.75 1x5i s THR 97 N -0.85 0.95 -0.09 2.92 -4.23 0.43 -2.20 115.64 112.57 1x5i s THR 97 Ca 0.28 -1.56 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1x5i s THR 97 Cb -0.18 -1.27 0.04 0.00 1.34 0.00 0.00 72.50 72.43 1x5i s THR 97 CO 0.17 -0.50 0.21 -0.22 -0.54 0.00 0.00 174.62 173.75 1x5i s LEU 98 N -2.29 0.60 -0.03 4.79 2.96 -1.23 -1.35 118.68 122.13 1x5i s LEU 98 Ca 0.03 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1x5i s LEU 98 Cb -0.04 0.62 0.01 0.00 0.50 0.00 0.00 46.19 47.28 1x5i s LEU 98 CO 0.00 -0.15 -0.05 -1.59 -1.32 0.00 0.00 176.35 173.25 1x5i s LYS 99 N 1.10 0.68 -0.03 1.98 -2.85 -0.91 -0.77 119.74 118.93 1x5i s LYS 99 Ca -0.08 -0.13 -0.26 0.00 -1.00 0.00 0.00 55.97 54.50 1x5i s LYS 99 Cb -0.10 -0.69 -0.04 0.00 -2.06 0.00 0.00 37.83 34.95 1x5i s LYS 99 CO -0.07 -0.01 0.80 0.00 0.10 0.00 0.00 175.35 176.17 1x5i s ALA 100 N 0.54 3.28 0.21 0.59 0.00 -1.26 -2.28 121.76 122.84 1x5i s ALA 100 Ca -0.07 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1x5i s ALA 100 Cb -0.10 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1x5i s ALA 100 CO -0.00 -0.12 0.01 -0.59 0.00 0.00 0.00 175.76 175.06 1x5i s PHE 101 N 0.77 1.39 0.27 0.00 -0.71 -1.18 0.22 117.98 118.74 1x5i s PHE 101 Ca 0.42 -1.00 -0.19 0.00 -1.04 0.00 0.00 56.93 55.12 1x5i s PHE 101 Cb -0.19 -0.80 0.07 0.00 -1.21 0.00 0.00 43.02 40.89 1x5i s PHE 101 CO 0.22 -0.16 0.94 0.27 -1.34 0.00 0.00 175.22 175.14 1x5i n ASN 102 N -0.34 -1.96 -0.39 1.98 6.94 0.74 -3.04 115.26 119.20 1x5i n ASN 102 Ca -0.05 -2.18 0.32 0.00 -0.02 0.00 0.00 54.58 52.66 1x5i n ASN 102 Cb 0.64 3.22 0.64 0.00 -2.36 0.00 0.00 39.78 41.92 1x5i n ASN 102 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1x5i h ASN 103 N 1.97 0.24 -0.16 0.53 4.21 -1.95 0.26 115.58 120.68 1x5i h ASN 103 Ca -0.30 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 1x5i h ASN 103 Cb 1.21 0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 1x5i h ASN 103 CO 0.39 -0.02 0.01 0.58 -1.29 0.00 0.00 177.43 177.10 1x5i h VAL 104 N 0.17 1.24 0.00 2.81 2.07 -1.88 -3.50 116.25 117.17 1x5i h VAL 104 Ca 0.67 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1x5i h VAL 104 Cb 2.18 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1x5i h VAL 104 CO -0.23 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1x5i n GLY 105 N -0.33 -0.55 3.35 2.17 0.00 0.92 -4.85 105.19 105.90 1x5i n GLY 105 Ca -0.05 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.41 0.13 1.61 2.02 -1.26 -0.19 118.70 122.42 1x5i s GLU 106 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1x5i s GLU 106 Cb 0.00 -0.56 0.00 0.00 0.10 0.00 0.00 34.13 33.67 1x5i s GLU 106 CO 0.00 -0.17 0.04 0.41 0.02 0.00 0.00 175.26 175.56 1x5i n GLY 107 N -0.48 3.62 3.68 -1.39 0.00 0.60 -4.67 105.19 106.56 1x5i n GLY 107 Ca -0.03 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 1x5i n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5i s ILE 108 N -1.13 4.92 0.80 -0.61 -1.09 -1.26 -4.63 121.20 118.20 1x5i s ILE 108 Ca 0.03 1.61 -0.11 0.00 -2.23 0.00 0.00 60.65 59.96 1x5i s ILE 108 Cb -0.00 -4.13 0.08 0.00 -1.58 0.00 0.00 42.46 36.83 1x5i s ILE 108 CO 0.02 0.09 1.09 -2.16 -1.23 0.00 0.00 174.94 172.75 1x5i s PRO 109 N 1.75 2.00 0.25 2.79 0.04 -1.26 -4.36 135.00 136.21 1x5i s PRO 109 Ca 0.39 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.60 1x5i s PRO 109 Cb -0.17 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1x5i s PRO 109 CO 0.15 -1.80 -0.00 -0.51 0.04 0.00 0.00 177.00 174.88 1x5i s LEU 110 N -6.00 3.22 -0.13 -3.56 1.43 0.05 -4.87 118.68 108.82 1x5i s LEU 110 Ca 0.62 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1x5i s LEU 110 Cb -0.17 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1x5i s LEU 110 CO 0.56 0.02 -0.20 -0.31 0.23 0.00 0.00 176.35 176.65 1x5i s TYR 111 N -2.19 2.67 0.34 0.29 1.51 -1.26 -3.53 117.35 115.18 1x5i s TYR 111 Ca 0.30 -1.12 0.06 0.00 -1.01 0.00 0.00 57.07 55.31 1x5i s TYR 111 Cb -0.07 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1x5i s TYR 111 CO 0.20 -0.48 0.23 -1.21 -1.11 0.00 0.00 175.55 173.18 1x5i s GLU 112 N 0.61 1.77 -0.01 -0.62 0.41 -0.94 -5.04 118.70 114.88 1x5i s GLU 112 Ca -0.11 -2.04 -0.01 0.00 -0.41 0.00 0.00 54.97 52.40 1x5i s GLU 112 Cb -0.16 0.09 0.01 0.00 -1.78 0.00 0.00 34.13 32.28 1x5i s GLU 112 CO 0.03 -0.59 0.03 -1.54 -0.49 0.00 0.00 175.26 172.69 1x5i s SER 113 N -3.42 -0.01 -0.30 -0.19 1.04 -1.26 -3.80 113.70 105.75 1x5i s SER 113 Ca 0.36 0.05 -0.08 0.00 0.48 0.00 0.00 55.95 56.76 1x5i s SER 113 Cb 0.03 0.03 0.16 0.00 0.10 0.00 0.00 66.02 66.34 1x5i s SER 113 CO 0.23 -0.03 0.75 0.00 0.98 0.00 0.00 173.24 175.18 1x5i s ALA 114 N 0.18 -2.43 -0.23 5.32 0.00 -1.03 -4.84 121.76 118.73 1x5i s ALA 114 Ca -0.01 2.01 -0.05 0.00 0.00 0.00 0.00 51.96 53.90 1x5i s ALA 114 Cb -0.02 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1x5i s ALA 114 CO -0.01 -1.13 0.00 0.54 0.00 0.00 0.00 175.76 175.16 1x5i s VAL 115 N 2.80 3.72 0.92 0.00 0.11 -1.26 -0.51 120.40 126.18 1x5i s VAL 115 Ca 0.04 -0.38 -0.17 0.00 -2.93 0.00 0.00 61.98 58.55 1x5i s VAL 115 Cb -0.12 -2.72 -0.13 0.00 -1.53 0.00 0.00 36.38 31.89 1x5i s VAL 115 CO -0.18 0.39 -0.57 0.35 -3.33 0.00 0.00 175.10 171.76 1x5i n THR 116 N 4.84 0.06 -2.79 5.04 -2.24 -0.94 -4.71 114.28 113.54 1x5i n THR 116 Ca -0.17 -0.47 -0.27 0.00 -2.27 0.00 0.00 64.05 60.86 1x5i n THR 116 Cb 0.51 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.04 3.56 -0.44 -0.78 0.52 -1.23 -3.58 118.95 114.97 1x5i s ARG 117 Ca 0.45 0.15 -0.28 0.00 -0.52 0.00 0.00 55.73 55.53 1x5i s ARG 117 Cb -0.23 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1x5i s ARG 117 CO 0.79 -0.12 1.75 -1.25 0.02 0.00 0.00 175.30 176.49 1x5i s PRO 118 N -4.53 3.14 -0.28 3.54 0.04 -1.26 -3.67 135.00 131.98 1x5i s PRO 118 Ca 0.47 1.07 -0.33 0.00 0.04 0.00 0.00 61.00 62.25 1x5i s PRO 118 Cb -0.10 -4.23 -0.10 0.00 0.04 0.00 0.00 34.50 30.11 1x5i s PRO 118 CO 0.42 -2.10 2.16 1.58 0.04 0.00 0.00 177.00 179.10 1x5i n HIS 119 N 10.85 1.79 -2.65 0.56 -0.00 -1.26 -4.91 115.22 119.59 1x5i n HIS 119 Ca 0.21 0.13 -0.42 0.00 0.46 0.00 0.00 57.72 58.10 1x5i n HIS 119 Cb 0.49 -2.60 -0.03 0.00 -0.12 0.00 0.00 29.99 27.72 1x5i n HIS 119 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1x5i s THR 120 N 7.24 4.71 0.30 3.57 2.01 -1.26 -5.01 115.64 127.20 1x5i s THR 120 Ca 1.05 1.95 -0.29 0.00 0.31 0.00 0.00 61.69 64.71 1x5i s THR 120 Cb -0.69 -4.25 -0.10 0.00 0.01 0.00 0.00 72.50 67.47 1x5i s THR 120 CO 0.45 0.14 1.23 -0.94 -0.69 0.00 0.00 174.62 174.81 1x5i s SER 121 N 1.03 6.97 0.00 3.53 1.04 -1.26 -4.85 113.70 120.16 1x5i s SER 121 Ca 0.53 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.47 1x5i s SER 121 Cb -0.22 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.26 1x5i s SER 121 CO 0.28 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1x5i n GLY 122 N 1.02 -1.99 3.65 7.32 0.00 -1.26 -5.05 105.19 108.89 1x5i n GLY 122 Ca -0.00 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.84 -0.02 0.75 1.61 0.04 -1.26 -5.04 135.00 130.24 1x5i s PRO 123 Ca 0.00 0.36 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 1x5i s PRO 123 Cb 0.00 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 32.88 1x5i s PRO 123 CO 0.00 -3.00 1.11 -1.54 0.04 0.00 0.00 177.00 173.61 1x5i s SER 124 N -3.55 5.01 -0.07 6.66 1.04 -1.26 -5.07 113.70 116.46 1x5i s SER 124 Ca 0.67 1.15 0.04 0.00 0.48 0.00 0.00 55.95 58.28 1x5i s SER 124 Cb -0.17 -1.89 -0.02 0.00 0.10 0.00 0.00 66.02 64.05 1x5i s SER 124 CO 0.57 -1.62 -0.20 -0.55 0.98 0.00 0.00 173.24 172.43 1x5i s SER 125 N -4.23 3.53 0.00 7.02 0.15 -1.26 -5.27 113.70 113.63 1x5i s SER 125 Ca 0.59 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1x5i s SER 125 Cb -0.12 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.17 1x5i s SER 125 CO 0.52 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.83