#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c91 n LEU 4 N 0.00 5.24 -4.74 1.53 -0.00 -1.26 -5.00 117.00 112.77 2c91 n LEU 4 Ca 0.00 1.00 -0.33 0.00 -0.00 0.00 0.00 56.01 56.68 2c91 n LEU 4 Cb 0.00 -1.56 0.08 0.00 -0.00 0.00 0.00 43.42 41.93 2c91 n LEU 4 CO 0.00 -0.59 0.75 0.00 -0.00 0.00 0.00 177.39 177.55 2c91 s ARG 5 N -2.75 2.34 0.67 1.47 1.70 -1.26 -3.48 118.95 117.63 2c91 s ARG 5 Ca 0.69 1.53 -0.17 0.00 -0.47 0.00 0.00 55.73 57.32 2c91 s ARG 5 Cb -0.43 -1.88 -0.04 0.00 -0.57 0.00 0.00 34.95 32.02 2c91 s ARG 5 CO 0.51 -1.64 0.66 -2.30 -1.08 0.00 0.00 175.30 171.45 2c91 n PRO 6 N -2.79 0.47 -1.65 3.89 -0.02 -1.26 -4.30 135.00 129.34 2c91 n PRO 6 Ca 0.12 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 2c91 n PRO 6 Cb 0.51 -1.91 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 2c91 n PRO 6 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c91 s ALA 7 N -1.79 2.16 -0.09 3.55 0.00 -0.63 -4.83 121.76 120.13 2c91 s ALA 7 Ca 0.69 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.20 2c91 s ALA 7 Cb -0.38 -3.03 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2c91 s ALA 7 CO 0.54 -1.95 -0.18 0.99 0.00 0.00 0.00 175.76 175.16 2c91 s THR 8 N -3.33 1.64 0.01 0.00 2.01 -1.26 -0.73 115.64 113.98 2c91 s THR 8 Ca 0.62 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.95 2c91 s THR 8 Cb -0.14 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 2c91 s THR 8 CO 0.52 0.47 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.97 2c91 s VAL 9 N 0.62 2.07 -0.31 3.82 1.01 -0.10 -4.50 120.40 123.02 2c91 s VAL 9 Ca -0.14 -1.25 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 2c91 s VAL 9 Cb -0.16 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2c91 s VAL 9 CO 0.04 0.46 0.49 -0.22 0.00 0.00 0.00 175.10 175.87 2c91 s LEU 10 N -0.93 4.20 0.18 3.92 2.96 -0.42 -0.81 118.68 127.79 2c91 s LEU 10 Ca 0.11 0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.91 2c91 s LEU 10 Cb -0.10 -2.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.94 2c91 s LEU 10 CO 0.01 -0.36 1.00 -0.83 -1.32 0.00 0.00 176.35 174.84 2c91 s GLY 11 N 1.67 3.02 -0.08 7.98 0.00 -0.05 -1.18 107.32 118.68 2c91 s GLY 11 Ca 0.19 0.67 0.11 0.00 0.00 0.00 0.00 44.72 45.69 2c91 s GLY 11 CO 0.11 1.41 1.07 -1.30 0.00 0.00 0.00 173.10 174.40 2c91 n THR 12 N 2.12 1.44 0.19 0.90 -2.24 -0.88 -4.70 114.28 111.10 2c91 n THR 12 Ca 0.01 -1.66 0.12 0.00 -2.27 0.00 0.00 64.05 60.24 2c91 n THR 12 Cb 0.47 0.07 0.68 0.00 -2.10 0.00 0.00 70.33 69.46 2c91 n THR 12 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2c91 h MET 13 N 0.00 0.00 -0.02 -0.78 1.85 -1.92 -2.44 114.93 111.63 2c91 h MET 13 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2c91 h MET 13 Cb 0.87 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.90 2c91 h MET 13 CO 0.00 0.00 -0.04 0.39 -0.40 0.00 0.00 176.91 176.86 2c91 n GLU 14 N -4.42 1.69 -2.39 0.39 -0.58 -1.26 -4.63 120.64 109.44 2c91 n GLU 14 Ca 0.01 -1.10 -0.43 0.00 -0.42 0.00 0.00 57.16 55.21 2c91 n GLU 14 Cb 0.24 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.61 2c91 n GLU 14 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2c91 s MET 15 N -2.07 3.58 0.00 3.49 -1.94 -0.92 -1.80 119.30 119.64 2c91 s MET 15 Ca 0.34 0.87 0.00 0.00 -1.71 0.00 0.00 55.69 55.18 2c91 s MET 15 Cb 0.21 -4.01 0.00 0.00 2.01 0.00 0.00 34.83 33.03 2c91 s MET 15 CO 0.36 -1.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.22 2c91 n GLY 16 N 5.06 0.61 0.00 -0.03 0.00 0.36 -2.48 105.19 108.70 2c91 n GLY 16 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2c91 n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2c91 n ARG 17 N -1.23 0.00 0.20 1.61 0.63 -0.75 -4.85 116.66 112.28 2c91 n ARG 17 Ca 0.00 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.00 2c91 n ARG 17 Cb 0.00 0.00 0.41 0.00 0.45 0.00 0.00 32.46 33.32 2c91 n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2c91 h ARG 18 N 0.00 0.00 -5.14 -0.14 3.08 -1.87 -3.43 114.38 106.88 2c91 h ARG 18 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2c91 h ARG 18 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.82 2c91 h ARG 18 CO 0.00 0.31 -0.67 -1.64 -1.07 0.00 0.00 179.97 176.90 2c91 s MET 19 N -3.72 3.59 0.62 0.04 -1.94 -0.80 -4.97 119.30 112.13 2c91 s MET 19 Ca -0.00 -0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 53.34 2c91 s MET 19 Cb 0.11 -3.03 0.14 0.00 2.01 0.00 0.00 34.83 34.06 2c91 s MET 19 CO 0.66 0.03 0.85 -0.40 -0.01 0.00 0.00 175.02 176.15 2c91 n ASP 20 N 4.18 0.15 -0.26 3.03 5.75 -1.26 -0.49 116.55 127.65 2c91 n ASP 20 Ca -0.17 -1.36 0.01 0.00 -0.01 0.00 0.00 54.79 53.25 2c91 n ASP 20 Cb 0.52 -0.64 0.22 0.00 -1.03 0.00 0.00 41.12 40.19 2c91 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c91 h ALA 21 N -1.72 1.44 -0.15 2.12 0.00 -1.98 -0.01 119.26 118.96 2c91 h ALA 21 Ca -0.27 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2c91 h ALA 21 Cb 0.78 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2c91 h ALA 21 CO 0.20 0.50 -0.30 0.66 0.00 0.00 0.00 179.25 180.31 2c91 h SER 22 N 1.08 0.52 -0.71 0.00 4.64 -1.99 0.08 113.55 117.18 2c91 h SER 22 Ca 0.32 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 2c91 h SER 22 Cb -0.06 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2c91 h SER 22 CO -0.08 0.98 0.39 0.00 -0.87 0.00 0.00 176.83 177.25 2c91 h ALA 23 N 0.56 1.33 0.01 5.18 0.00 -1.90 -1.49 119.26 122.95 2c91 h ALA 23 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c91 h ALA 23 Cb 0.89 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2c91 h ALA 23 CO 0.07 0.54 -0.00 0.77 0.00 0.00 0.00 179.25 180.63 2c91 h SER 24 N 1.01 -0.01 -0.40 0.00 0.02 -0.86 -1.82 113.55 111.48 2c91 h SER 24 Ca 0.26 -0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2c91 h SER 24 Cb 0.03 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2c91 h SER 24 CO -0.04 0.21 0.08 0.00 -1.14 0.00 0.00 176.83 175.94 2c91 h ALA 25 N 0.77 0.43 -0.96 3.77 0.00 -0.82 -1.13 119.26 121.32 2c91 h ALA 25 Ca -0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2c91 h ALA 25 Cb 0.22 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2c91 h ALA 25 CO 0.00 -0.32 0.62 0.00 0.00 0.00 0.00 179.25 179.55 2c91 h ALA 26 N 1.30 1.32 -0.24 0.00 0.00 -1.22 -1.09 119.26 119.34 2c91 h ALA 26 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2c91 h ALA 26 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2c91 h ALA 26 CO -0.26 0.42 0.00 0.77 0.00 0.00 0.00 179.25 180.19 2c91 h SER 27 N 1.14 0.41 -0.22 0.00 0.02 -0.75 -0.52 113.55 113.63 2c91 h SER 27 Ca 0.41 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2c91 h SER 27 Cb 0.13 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2c91 h SER 27 CO -0.16 0.62 0.11 0.58 -1.14 0.00 0.00 176.83 176.84 2c91 h VAL 28 N 0.19 1.13 -0.43 2.27 2.07 -1.03 -0.37 116.25 120.09 2c91 h VAL 28 Ca 0.07 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.31 2c91 h VAL 28 Cb 0.41 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2c91 h VAL 28 CO 0.01 0.12 0.01 -0.09 0.02 0.00 0.00 177.57 177.65 2c91 h ARG 29 N 0.24 0.12 -0.69 1.57 2.43 -1.11 0.23 114.38 117.16 2c91 h ARG 29 Ca 0.08 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2c91 h ARG 29 Cb 0.10 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2c91 h ARG 29 CO -0.01 0.08 0.44 0.00 -1.51 0.00 0.00 179.97 178.97 2c91 h ALA 30 N 1.37 0.90 -0.38 2.80 0.00 -0.91 -1.05 119.26 121.99 2c91 h ALA 30 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2c91 h ALA 30 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2c91 h ALA 30 CO -0.34 0.24 0.09 0.35 0.00 0.00 0.00 179.25 179.59 2c91 h PHE 31 N 0.88 0.65 -0.21 0.00 3.57 -0.16 -2.93 116.94 118.73 2c91 h PHE 31 Ca 0.27 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 2c91 h PHE 31 Cb -0.03 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2c91 h PHE 31 CO -0.04 0.63 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.26 2c91 h LEU 32 N 0.48 0.47 -2.11 0.59 3.38 -0.37 -2.69 115.31 115.05 2c91 h LEU 32 Ca 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2c91 h LEU 32 Cb 0.31 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2c91 h LEU 32 CO 0.00 0.79 -0.03 -0.33 0.09 0.00 0.00 178.44 178.96 2c91 h GLU 33 N 0.39 0.00 -0.00 1.13 5.08 -1.11 -0.18 114.58 119.89 2c91 h GLU 33 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2c91 h GLU 33 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2c91 h GLU 33 CO 0.06 0.03 -0.00 0.54 -1.00 0.00 0.00 179.01 178.64 2c91 n ARG 34 N -4.24 0.97 -0.26 2.33 5.12 -1.02 -4.88 116.66 114.68 2c91 n ARG 34 Ca -0.03 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2c91 n ARG 34 Cb 0.11 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 2c91 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2c91 n GLY 35 N 1.02 0.79 3.92 -0.13 0.00 -0.08 -5.08 105.19 105.62 2c91 n GLY 35 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 2c91 n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c91 s HIS 36 N -2.18 3.06 0.00 1.61 3.76 -1.21 -5.04 115.29 115.29 2c91 s HIS 36 Ca 0.00 0.63 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 2c91 s HIS 36 Cb 0.00 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.57 2c91 s HIS 36 CO 0.00 -1.30 0.00 -1.13 -0.85 0.00 0.00 174.74 171.46 2c91 n SER 37 N -2.92 0.00 -4.78 1.40 3.41 -1.26 -4.46 113.62 105.01 2c91 n SER 37 Ca 0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.32 2c91 n SER 37 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 2c91 n SER 37 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2c91 s GLU 38 N 0.00 3.55 0.04 4.33 2.02 -1.26 -0.54 118.70 126.84 2c91 s GLU 38 Ca 0.00 -0.23 0.08 0.00 0.02 0.00 0.00 54.97 54.84 2c91 s GLU 38 Cb 0.00 -3.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 2c91 s GLU 38 CO 0.00 0.62 -0.22 -0.51 0.02 0.00 0.00 175.26 175.16 2c91 s LEU 39 N -0.58 2.38 -0.20 1.80 1.43 -0.32 -1.30 118.68 121.89 2c91 s LEU 39 Ca 0.12 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2c91 s LEU 39 Cb -0.12 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.74 2c91 s LEU 39 CO 0.02 0.26 -0.14 -0.62 0.23 0.00 0.00 176.35 176.10 2c91 s ASP 40 N -1.33 3.43 0.06 2.29 2.15 -0.33 -1.03 116.67 121.92 2c91 s ASP 40 Ca 0.13 -0.86 0.01 0.00 0.43 0.00 0.00 52.55 52.26 2c91 s ASP 40 Cb -0.10 -1.38 -0.00 0.00 -0.30 0.00 0.00 42.92 41.14 2c91 s ASP 40 CO 0.03 -0.09 0.02 1.07 -0.17 0.00 0.00 175.17 176.04 2c91 n THR 41 N 4.62 0.00 -3.53 1.71 5.66 0.16 -2.07 114.28 120.83 2c91 n THR 41 Ca -0.17 -0.37 -0.16 0.00 -3.05 0.00 0.00 64.05 60.29 2c91 n THR 41 Cb 0.47 0.13 -0.06 0.00 -1.55 0.00 0.00 70.33 69.33 2c91 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2c91 s ALA 42 N -2.17 -1.62 0.39 1.79 0.00 -1.26 -3.88 121.76 115.01 2c91 s ALA 42 Ca 0.03 1.05 0.13 0.00 0.00 0.00 0.00 51.96 53.17 2c91 s ALA 42 Cb 0.00 0.17 0.96 0.00 0.00 0.00 0.00 23.12 24.25 2c91 s ALA 42 CO 0.02 -0.43 1.89 0.35 0.00 0.00 0.00 175.76 177.59 2c91 h PHE 43 N 2.90 0.64 -0.26 0.00 3.57 -1.74 -2.74 116.94 119.31 2c91 h PHE 43 Ca -0.29 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.10 2c91 h PHE 43 Cb 1.17 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2c91 h PHE 43 CO 0.37 0.23 -0.37 1.98 -2.23 0.00 0.00 178.31 178.28 2c91 h MET 44 N 0.53 0.58 -6.40 1.11 4.05 -1.96 -3.31 114.93 109.54 2c91 h MET 44 Ca 0.42 -0.28 -0.54 0.00 -0.28 0.00 0.00 59.70 59.02 2c91 h MET 44 Cb 0.84 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.65 2c91 h MET 44 CO -0.17 0.86 1.04 0.71 0.23 0.00 0.00 176.91 179.59 2c91 s TYR 45 N -4.30 2.22 -1.54 1.39 2.02 -1.03 -2.74 117.35 113.36 2c91 s TYR 45 Ca -0.08 0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.72 2c91 s TYR 45 Cb 0.13 -3.98 0.09 0.00 -0.40 0.00 0.00 41.96 37.79 2c91 s TYR 45 CO 0.82 -4.02 0.91 0.00 -1.57 0.00 0.00 175.55 171.70 2c91 n ASP 47 N -2.83 -5.64 0.00 0.00 2.03 -1.11 -1.20 116.55 107.79 2c91 n ASP 47 Ca 0.01 -0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2c91 n ASP 47 Cb 0.54 -4.66 0.00 0.00 -0.72 0.00 0.00 41.12 36.27 2c91 n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2c91 n GLY 48 N -1.14 0.66 0.17 0.27 0.00 -0.39 -4.98 105.19 99.79 2c91 n GLY 48 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.88 2c91 n GLY 48 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2c91 h GLN 49 N 4.31 0.00 -0.11 1.61 1.08 -0.97 -1.25 115.11 119.78 2c91 h GLN 49 Ca 0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2c91 h GLN 49 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2c91 h GLN 49 CO 0.00 0.43 -0.04 1.03 -0.95 0.00 0.00 178.83 179.30 2c91 h SER 50 N 0.00 0.23 -0.76 1.46 0.87 -1.45 0.26 113.55 114.16 2c91 h SER 50 Ca -0.00 -0.39 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2c91 h SER 50 Cb 1.04 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2c91 h SER 50 CO 0.06 0.57 0.47 -0.33 -0.53 0.00 0.00 176.83 177.07 2c91 h GLU 51 N -0.11 1.02 -0.35 2.24 5.08 -1.78 -1.87 114.58 118.81 2c91 h GLU 51 Ca 0.03 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2c91 h GLU 51 Cb 0.47 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2c91 h GLU 51 CO 0.01 0.71 0.15 -0.91 -1.00 0.00 0.00 179.01 177.97 2c91 h ASN 52 N 1.04 0.47 -0.06 1.42 -0.26 -1.04 -0.47 115.58 116.67 2c91 h ASN 52 Ca 0.27 -0.16 0.03 0.00 -0.56 0.00 0.00 56.30 55.89 2c91 h ASN 52 Cb -0.07 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.04 2c91 h ASN 52 CO -0.05 0.50 -0.12 0.40 -1.06 0.00 0.00 177.43 177.09 2c91 h ILE 53 N 0.41 0.68 -0.80 2.81 2.04 -0.86 -2.71 117.51 119.09 2c91 h ILE 53 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2c91 h ILE 53 Cb 0.17 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2c91 h ILE 53 CO -0.01 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.53 2c91 h LEU 54 N -0.17 0.98 -1.74 1.44 3.38 -1.11 -2.27 115.31 115.81 2c91 h LEU 54 Ca 0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2c91 h LEU 54 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2c91 h LEU 54 CO -0.17 0.77 -0.17 1.23 0.09 0.00 0.00 178.44 180.20 2c91 h GLY 55 N 1.14 0.00 0.42 0.83 0.00 -0.95 -2.68 103.07 101.83 2c91 h GLY 55 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2c91 h GLY 55 CO -0.05 0.00 -0.11 0.61 0.00 0.00 0.00 176.54 176.99 2c91 n GLY 56 N -0.88 -0.64 0.00 4.60 0.00 -0.86 -4.05 105.19 103.35 2c91 n GLY 56 Ca -0.02 -0.34 0.16 0.00 0.00 0.00 0.00 46.02 45.82 2c91 n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c91 n LEU 57 N -0.61 0.00 -2.58 0.99 4.77 -1.01 -4.90 117.00 113.65 2c91 n LEU 57 Ca 0.16 0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 2c91 n LEU 57 Cb 0.30 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2c91 n LEU 57 CO 0.22 -0.00 0.06 0.61 -1.33 0.00 0.00 177.39 176.95 2c91 n GLY 58 N 1.08 -0.25 0.28 -0.72 0.00 -1.26 -4.92 105.19 99.41 2c91 n GLY 58 Ca 0.21 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2c91 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2c91 n LEU 59 N -3.49 1.05 -3.57 0.99 4.77 -1.26 -4.96 117.00 110.52 2c91 n LEU 59 Ca -0.06 -0.28 -0.19 0.00 -0.03 0.00 0.00 56.01 55.45 2c91 n LEU 59 Cb 0.58 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 2c91 n LEU 59 CO 0.42 0.19 0.03 0.61 -1.33 0.00 0.00 177.39 177.30 2c91 n GLY 60 N 1.28 -0.33 3.77 -0.72 0.00 -1.26 -4.84 105.19 103.08 2c91 n GLY 60 Ca 0.15 0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.90 2c91 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c91 s LEU 61 N -6.55 4.13 0.00 0.99 1.43 -1.26 -3.03 118.68 114.39 2c91 s LEU 61 Ca 0.02 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 2c91 s LEU 61 Cb -0.01 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.18 2c91 s LEU 61 CO 0.77 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 177.03 2c91 n GLY 62 N 0.63 0.34 2.96 -3.19 0.00 -1.25 -4.33 105.19 100.35 2c91 n GLY 62 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2c91 n GLY 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2c91 n SER 63 N -0.22 6.53 -1.74 1.61 3.41 -1.17 -4.45 113.62 117.59 2c91 n SER 63 Ca 0.00 -3.45 -0.23 0.00 -0.26 0.00 0.00 58.87 54.94 2c91 n SER 63 Cb 0.11 -1.26 -0.03 0.00 -0.26 0.00 0.00 64.21 62.77 2c91 n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c91 n GLY 64 N 1.16 -0.15 0.00 5.00 0.00 -1.26 -3.33 105.19 106.61 2c91 n GLY 64 Ca 0.28 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.58 2c91 n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c91 n ASP 65 N 0.59 0.00 -3.70 1.61 -0.08 -1.26 -5.12 116.55 108.59 2c91 n ASP 65 Ca 0.08 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.23 2c91 n ASP 65 Cb 0.04 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.36 2c91 n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2c91 h THR 67 N 6.05 1.11 -3.38 0.00 1.35 -1.92 -3.46 112.91 112.67 2c91 h THR 67 Ca -0.29 -2.57 -0.54 0.00 -0.55 0.00 0.00 66.41 62.47 2c91 h THR 67 Cb 1.14 2.89 -0.02 0.00 -1.73 0.00 0.00 68.15 70.44 2c91 h THR 67 CO 0.27 0.82 0.40 -0.69 -0.25 0.00 0.00 175.52 176.06 2c91 s VAL 68 N -2.56 4.71 -0.10 6.82 1.01 -1.26 -4.86 120.40 124.15 2c91 s VAL 68 Ca -0.14 1.96 -0.02 0.00 0.00 0.00 0.00 61.98 63.78 2c91 s VAL 68 Cb 0.04 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2c91 s VAL 68 CO 0.88 0.16 -0.02 -0.54 0.00 0.00 0.00 175.10 175.58 2c91 s LYS 69 N 0.97 3.13 -0.08 2.72 -0.14 0.30 -4.65 119.74 122.00 2c91 s LYS 69 Ca 0.53 -0.46 0.03 0.00 -1.36 0.00 0.00 55.97 54.71 2c91 s LYS 69 Cb -0.23 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 2c91 s LYS 69 CO 0.28 0.58 -0.16 -1.50 -0.76 0.00 0.00 175.35 173.79 2c91 s ILE 70 N -0.54 2.90 -0.06 2.17 1.10 -1.26 -1.18 121.20 124.32 2c91 s ILE 70 Ca 0.09 -0.76 0.04 0.00 -0.51 0.00 0.00 60.65 59.51 2c91 s ILE 70 Cb -0.12 -2.15 -0.02 0.00 0.15 0.00 0.00 42.46 40.32 2c91 s ILE 70 CO 0.02 0.56 -0.19 0.00 -2.11 0.00 0.00 174.94 173.22 2c91 s ALA 71 N -0.27 2.43 0.39 1.50 0.00 -0.20 -1.73 121.76 123.88 2c91 s ALA 71 Ca 0.01 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2c91 s ALA 71 Cb -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2c91 s ALA 71 CO 0.03 0.45 0.15 -2.37 0.00 0.00 0.00 175.76 174.02 2c91 n THR 72 N 2.76 0.00 -3.77 0.00 5.66 -0.45 -0.66 114.28 117.82 2c91 n THR 72 Ca -0.17 -2.31 -0.13 0.00 -3.05 0.00 0.00 64.05 58.39 2c91 n THR 72 Cb 0.52 0.86 -0.10 0.00 -1.55 0.00 0.00 70.33 70.05 2c91 n THR 72 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2c91 s LYS 73 N -3.49 0.42 -0.10 1.09 1.02 -1.25 -1.09 119.74 116.34 2c91 s LYS 73 Ca 0.22 0.27 -0.03 0.00 0.02 0.00 0.00 55.97 56.45 2c91 s LYS 73 Cb 0.01 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.49 2c91 s LYS 73 CO 0.15 -0.07 0.02 0.00 -0.92 0.00 0.00 175.35 174.53 2c91 s ALA 74 N -0.20 3.36 0.11 5.17 0.00 -0.23 -1.82 121.76 128.15 2c91 s ALA 74 Ca -0.03 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2c91 s ALA 74 Cb -0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2c91 s ALA 74 CO 0.01 0.56 -0.16 0.54 0.00 0.00 0.00 175.76 176.71 2c91 s ASN 75 N -0.80 2.14 0.00 0.00 2.20 -1.26 -0.82 114.94 116.41 2c91 s ASN 75 Ca 0.12 -0.74 0.28 0.00 -0.94 0.00 0.00 52.86 51.58 2c91 s ASN 75 Cb -0.12 -0.09 1.08 0.00 -2.00 0.00 0.00 41.25 40.12 2c91 s ASN 75 CO 0.02 -0.06 1.76 -0.81 -2.94 0.00 0.00 177.10 175.07 2c91 n PRO 76 N 0.81 1.32 -1.27 3.55 -0.04 -1.26 -4.43 135.00 133.69 2c91 n PRO 76 Ca -0.17 -0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 62.28 2c91 n PRO 76 Cb 0.55 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 2c91 n PRO 76 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2c91 s TRP 77 N -2.16 2.59 -1.46 0.54 0.51 -1.26 -1.11 118.94 116.59 2c91 s TRP 77 Ca 0.35 1.55 -0.11 0.00 -2.12 0.00 0.00 56.10 55.77 2c91 s TRP 77 Cb 0.21 -3.04 0.05 0.00 -0.81 0.00 0.00 33.47 29.87 2c91 s TRP 77 CO 0.39 -1.78 0.95 0.39 -0.51 0.00 0.00 176.95 176.39 2c91 n GLU 78 N -3.52 -6.00 -0.40 4.98 1.02 -1.26 -1.58 120.64 113.89 2c91 n GLU 78 Ca 0.09 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.93 2c91 n GLU 78 Cb 0.53 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.32 2c91 n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c91 n GLY 79 N -1.72 1.04 0.17 0.62 0.00 -1.25 -4.95 105.19 99.10 2c91 n GLY 79 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2c91 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c91 h LYS 80 N 3.59 0.40 -2.36 1.61 1.57 -0.98 -3.50 116.57 116.91 2c91 h LYS 80 Ca 0.00 -0.37 0.25 0.00 -1.87 0.00 0.00 60.65 58.66 2c91 h LYS 80 Cb 0.00 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 2c91 h LYS 80 CO 0.00 1.02 -0.72 -1.13 -0.57 0.00 0.00 179.45 178.06 2c91 n SER 81 N -3.80 -5.79 -1.59 0.86 3.41 -0.26 -4.63 113.62 101.82 2c91 n SER 81 Ca -0.05 0.82 -0.11 0.00 -0.26 0.00 0.00 58.87 59.26 2c91 n SER 81 Cb 0.76 -3.30 0.20 0.00 -0.26 0.00 0.00 64.21 61.61 2c91 n SER 81 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c91 n LEU 82 N -3.71 5.18 -4.67 1.04 4.77 -1.26 -4.35 117.00 114.00 2c91 n LEU 82 Ca -0.04 -3.68 -0.36 0.00 -0.03 0.00 0.00 56.01 51.90 2c91 n LEU 82 Cb 0.47 -0.71 0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2c91 n LEU 82 CO 0.02 1.15 0.73 0.29 -1.33 0.00 0.00 177.39 178.25 2c91 n LYS 83 N -1.08 0.72 -0.31 3.23 4.76 -1.26 -4.27 118.16 119.95 2c91 n LYS 83 Ca 0.43 0.31 0.02 0.00 -2.87 0.00 0.00 58.31 56.20 2c91 n LYS 83 Cb 1.29 -2.38 0.09 0.00 -1.84 0.00 0.00 35.03 32.18 2c91 n LYS 83 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2c91 h PRO 84 N 0.00 -0.02 -0.28 1.97 0.11 -1.92 -1.25 132.00 130.62 2c91 h PRO 84 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2c91 h PRO 84 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 2c91 h PRO 84 CO 0.49 -0.01 -0.05 -0.44 -0.21 0.00 0.00 178.00 177.78 2c91 h ASP 85 N -0.02 0.42 0.07 -2.05 3.32 -1.99 -1.92 116.42 114.24 2c91 h ASP 85 Ca 0.39 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 2c91 h ASP 85 Cb 0.62 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2c91 h ASP 85 CO -0.89 0.52 -0.03 -1.28 -1.72 0.00 0.00 179.24 175.84 2c91 h SER 86 N 0.42 -0.07 -0.40 6.45 0.87 -1.56 -1.42 113.55 117.83 2c91 h SER 86 Ca 0.09 -0.41 0.08 0.00 -1.23 0.00 0.00 61.79 60.33 2c91 h SER 86 Cb 0.36 0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 62.25 2c91 h SER 86 CO 0.02 0.39 -0.21 0.40 -0.53 0.00 0.00 176.83 176.89 2c91 h ILE 87 N -0.55 0.40 -0.25 2.23 1.08 -1.29 -0.57 117.51 118.56 2c91 h ILE 87 Ca -0.01 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.47 2c91 h ILE 87 Cb 0.48 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 2c91 h ILE 87 CO 0.01 0.00 0.14 -0.09 -0.69 0.00 0.00 178.15 177.53 2c91 h ARG 88 N -0.13 0.29 -0.40 2.37 2.43 -1.36 -1.14 114.38 116.43 2c91 h ARG 88 Ca 0.20 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2c91 h ARG 88 Cb 0.44 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2c91 h ARG 88 CO -0.49 0.19 0.15 1.03 -1.51 0.00 0.00 179.97 179.34 2c91 h SER 89 N 0.30 0.56 0.14 -3.80 0.87 -0.85 0.05 113.55 110.82 2c91 h SER 89 Ca 0.10 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2c91 h SER 89 Cb -0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2c91 h SER 89 CO -0.05 0.59 -0.07 1.56 -0.53 0.00 0.00 176.83 178.33 2c91 h GLN 90 N 0.50 -0.18 -0.12 2.24 4.20 -0.98 -0.12 115.11 120.65 2c91 h GLN 90 Ca 0.13 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.86 2c91 h GLN 90 Cb 0.21 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2c91 h GLN 90 CO -0.01 -0.12 0.06 1.25 -0.67 0.00 0.00 178.83 179.34 2c91 h LEU 91 N -0.19 0.09 -1.13 1.46 5.85 -1.07 0.37 115.31 120.67 2c91 h LEU 91 Ca -0.02 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2c91 h LEU 91 Cb 0.15 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2c91 h LEU 91 CO 0.03 0.07 0.59 -0.33 -0.34 0.00 0.00 178.44 178.46 2c91 h GLU 92 N 0.13 1.15 -0.19 1.25 5.08 -0.88 0.32 114.58 121.44 2c91 h GLU 92 Ca 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2c91 h GLU 92 Cb 0.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2c91 h GLU 92 CO -0.03 0.76 0.09 1.15 -1.00 0.00 0.00 179.01 179.98 2c91 h THR 93 N 1.19 1.13 -0.57 1.13 2.02 -0.64 -2.24 112.91 114.92 2c91 h THR 93 Ca 0.33 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.19 2c91 h THR 93 Cb -0.11 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2c91 h THR 93 CO -0.08 0.12 0.32 0.28 0.37 0.00 0.00 175.52 176.54 2c91 h SER 94 N 0.18 0.50 -0.83 4.18 0.02 -0.12 -1.21 113.55 116.27 2c91 h SER 94 Ca 0.07 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.11 2c91 h SER 94 Cb 0.11 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 2c91 h SER 94 CO -0.01 0.34 0.49 -0.07 -1.14 0.00 0.00 176.83 176.45 2c91 h LEU 95 N 0.63 0.75 -0.26 5.07 3.38 -0.85 0.20 115.31 124.22 2c91 h LEU 95 Ca 0.24 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2c91 h LEU 95 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2c91 h LEU 95 CO -0.13 0.45 0.13 0.50 0.09 0.00 0.00 178.44 179.48 2c91 h LYS 96 N 0.87 0.38 -0.39 1.13 3.64 -0.74 -1.16 116.57 120.31 2c91 h LYS 96 Ca 0.38 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.59 2c91 h LYS 96 Cb 0.26 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2c91 h LYS 96 CO -0.21 0.37 -0.23 0.00 -2.27 0.00 0.00 179.45 177.12 2c91 h ARG 97 N 0.29 0.77 0.00 1.90 3.08 -0.72 -1.88 114.38 117.83 2c91 h ARG 97 Ca 0.09 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2c91 h ARG 97 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2c91 h ARG 97 CO -0.01 0.92 0.00 1.28 -1.07 0.00 0.00 179.97 181.09 2c91 n LEU 98 N -4.11 0.00 -3.79 3.04 4.77 0.67 -3.87 117.00 113.71 2c91 n LEU 98 Ca 0.00 0.18 -0.24 0.00 -0.03 0.00 0.00 56.01 55.93 2c91 n LEU 98 Cb 0.43 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2c91 n LEU 98 CO 0.45 -0.02 -0.06 0.00 -1.33 0.00 0.00 177.39 176.43 2c91 n GLN 99 N -1.18 -4.74 -3.88 3.23 6.02 -0.52 -4.36 117.38 111.94 2c91 n GLN 99 Ca 0.16 0.58 -0.11 0.00 -0.01 0.00 0.00 57.00 57.62 2c91 n GLN 99 Cb 0.18 -5.13 -0.10 0.00 1.02 0.00 0.00 30.24 26.21 2c91 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c91 n PRO 101 N 1.27 0.23 -3.59 0.00 -0.04 -1.26 -4.55 135.00 127.06 2c91 n PRO 101 Ca -0.22 0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.29 2c91 n PRO 101 Cb 0.56 -1.73 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 2c91 n PRO 101 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2c91 s ARG 102 N -3.10 0.57 0.18 0.54 1.70 -1.26 -4.61 118.95 112.96 2c91 s ARG 102 Ca 0.10 0.20 -0.02 0.00 -0.47 0.00 0.00 55.73 55.54 2c91 s ARG 102 Cb 0.13 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2c91 s ARG 102 CO 0.62 -0.16 0.38 0.14 -1.08 0.00 0.00 175.30 175.20 2c91 s VAL 103 N -0.92 5.19 0.19 4.99 -7.23 -0.81 -3.94 120.40 117.87 2c91 s VAL 103 Ca -0.01 -0.21 0.12 0.00 -1.81 0.00 0.00 61.98 60.07 2c91 s VAL 103 Cb -0.01 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 2c91 s VAL 103 CO 0.00 -0.09 1.56 0.44 -0.31 0.00 0.00 175.10 176.70 2c91 h ASP 104 N 2.33 0.00 -2.89 4.85 3.32 -1.68 -1.23 116.42 121.11 2c91 h ASP 104 Ca -0.47 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.37 2c91 h ASP 104 Cb 1.18 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.41 2c91 h ASP 104 CO 0.70 0.64 -0.52 -0.22 -1.72 0.00 0.00 179.24 178.12 2c91 s LEU 105 N -7.24 -0.25 -0.17 1.55 2.96 -1.00 -0.97 118.68 113.57 2c91 s LEU 105 Ca -0.00 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 2c91 s LEU 105 Cb 0.11 0.74 0.01 0.00 0.50 0.00 0.00 46.19 47.56 2c91 s LEU 105 CO 0.76 -0.23 -0.18 0.12 -1.32 0.00 0.00 176.35 175.49 2c91 s PHE 106 N 2.31 2.76 0.07 5.38 5.36 -0.25 -1.34 117.98 132.28 2c91 s PHE 106 Ca -0.00 -1.40 0.03 0.00 -0.96 0.00 0.00 56.93 54.60 2c91 s PHE 106 Cb -0.12 -1.90 -0.04 0.00 -0.34 0.00 0.00 43.02 40.62 2c91 s PHE 106 CO -0.09 -0.67 0.08 0.71 -1.46 0.00 0.00 175.22 173.79 2c91 s TYR 107 N 1.09 3.20 -0.40 10.12 2.02 -0.25 -0.55 117.35 132.58 2c91 s TYR 107 Ca -0.00 0.09 -0.27 0.00 -0.37 0.00 0.00 57.07 56.52 2c91 s TYR 107 Cb -0.14 -1.63 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 2c91 s TYR 107 CO -0.07 0.52 1.00 -0.51 -1.57 0.00 0.00 175.55 174.92 2c91 s LEU 108 N -2.35 3.90 0.20 -1.29 1.43 -0.76 -1.07 118.68 118.75 2c91 s LEU 108 Ca 0.29 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2c91 s LEU 108 Cb -0.12 -3.36 0.14 0.00 0.03 0.00 0.00 46.19 42.88 2c91 s LEU 108 CO 0.22 -0.99 1.49 -0.74 0.23 0.00 0.00 176.35 176.56 2c91 h HIS 109 N 8.69 0.39 -2.03 0.29 2.76 -1.22 -1.26 115.15 122.76 2c91 h HIS 109 Ca -0.23 -0.17 0.03 0.00 -2.20 0.00 0.00 60.37 57.80 2c91 h HIS 109 Cb 1.07 -0.06 -0.19 0.00 1.55 0.00 0.00 27.41 29.78 2c91 h HIS 109 CO 0.87 0.88 0.38 0.00 -1.30 0.00 0.00 177.93 178.76 2c91 s ALA 110 N -3.63 -1.82 0.56 5.26 0.00 -1.23 -4.31 121.76 116.59 2c91 s ALA 110 Ca -0.04 1.25 -0.21 0.00 0.00 0.00 0.00 51.96 52.95 2c91 s ALA 110 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2c91 s ALA 110 CO 0.82 -0.46 1.36 -2.30 0.00 0.00 0.00 175.76 175.18 2c91 n PRO 111 N 0.46 1.66 -3.68 0.00 -0.02 -1.26 -4.58 135.00 127.58 2c91 n PRO 111 Ca -0.14 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.58 2c91 n PRO 111 Cb 0.59 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 2c91 n PRO 111 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2c91 s ASP 112 N -0.94 5.42 0.00 2.55 2.15 -1.26 -4.85 116.67 119.74 2c91 s ASP 112 Ca 0.73 -2.43 0.21 0.00 0.43 0.00 0.00 52.55 51.48 2c91 s ASP 112 Cb -0.41 -1.90 1.07 0.00 -0.30 0.00 0.00 42.92 41.38 2c91 s ASP 112 CO 0.48 -0.49 1.66 1.41 -0.17 0.00 0.00 175.17 178.06 2c91 n HIS 113 N 4.10 0.00 1.02 -5.34 8.25 -1.26 -2.11 115.22 119.88 2c91 n HIS 113 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 2c91 n HIS 113 Cb 0.40 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.26 2c91 n HIS 113 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2c91 n SER 114 N -1.25 1.72 -4.11 0.41 7.64 -1.26 -4.86 113.62 111.91 2c91 n SER 114 Ca 0.10 -1.34 -0.33 0.00 1.01 0.00 0.00 58.87 58.32 2c91 n SER 114 Cb 0.16 0.55 -0.16 0.00 -1.01 0.00 0.00 64.21 63.75 2c91 n SER 114 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c91 s THR 115 N -2.59 2.02 0.11 0.44 2.01 -0.90 -5.10 115.64 111.64 2c91 s THR 115 Ca 0.17 -0.97 -0.36 0.00 0.31 0.00 0.00 61.69 60.84 2c91 s THR 115 Cb 0.18 -1.86 -0.16 0.00 0.01 0.00 0.00 72.50 70.66 2c91 s THR 115 CO 0.63 0.48 1.33 -2.65 -0.69 0.00 0.00 174.62 173.72 2c91 n PRO 116 N 4.62 1.27 0.22 4.92 -0.02 -1.26 -4.84 135.00 139.91 2c91 n PRO 116 Ca -0.20 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 61.80 2c91 n PRO 116 Cb 0.49 -2.08 0.51 0.00 -0.02 0.00 0.00 33.50 32.40 2c91 n PRO 116 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2c91 h VAL 117 N 3.21 0.97 -0.54 -1.45 3.04 -1.98 -1.65 116.25 117.85 2c91 h VAL 117 Ca -0.46 -0.90 -0.00 0.00 -1.01 0.00 0.00 66.70 64.32 2c91 h VAL 117 Cb 1.33 1.51 -0.03 0.00 -2.01 0.00 0.00 31.29 32.10 2c91 h VAL 117 CO 0.77 0.24 0.34 -0.33 -1.01 0.00 0.00 177.57 177.58 2c91 h GLU 118 N 0.00 0.73 0.11 4.17 3.07 -1.99 0.52 114.58 121.19 2c91 h GLU 118 Ca -0.00 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2c91 h GLU 118 Cb 0.49 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2c91 h GLU 118 CO 0.03 0.50 -0.05 0.93 -1.40 0.00 0.00 179.01 179.02 2c91 h GLU 119 N 0.74 -0.15 -0.46 2.33 5.08 -1.67 -1.22 114.58 119.24 2c91 h GLU 119 Ca 0.20 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2c91 h GLU 119 Cb -0.05 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2c91 h GLU 119 CO -0.04 0.06 0.22 1.15 -1.00 0.00 0.00 179.01 179.39 2c91 h THR 120 N -0.33 0.94 -0.55 1.13 2.02 -1.47 -2.41 112.91 112.25 2c91 h THR 120 Ca -0.02 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 2c91 h THR 120 Cb 0.27 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2c91 h THR 120 CO 0.03 0.08 0.09 -0.07 0.37 0.00 0.00 175.52 176.01 2c91 h LEU 121 N 0.43 0.88 -0.54 2.58 3.38 -0.76 -1.19 115.31 120.08 2c91 h LEU 121 Ca 0.20 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2c91 h LEU 121 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2c91 h LEU 121 CO -0.15 0.91 0.30 0.00 0.09 0.00 0.00 178.44 179.59 2c91 h ALA 123 N 1.27 0.42 -0.70 0.00 0.00 -1.12 -1.34 119.26 117.80 2c91 h ALA 123 Ca 0.23 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.19 2c91 h ALA 123 Cb 0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 2c91 h ALA 123 CO -0.13 -0.08 0.33 0.00 0.00 0.00 0.00 179.25 179.37 2c91 h HIS 125 N 0.56 0.49 -0.56 0.00 6.17 -0.42 -1.52 115.15 119.87 2c91 h HIS 125 Ca 0.35 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.48 2c91 h HIS 125 Cb 0.39 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 30.11 2c91 h HIS 125 CO -0.12 0.37 0.28 0.37 0.71 0.00 0.00 177.93 179.54 2c91 h GLN 126 N 0.47 0.51 -0.64 5.26 4.15 -0.80 -0.62 115.11 123.44 2c91 h GLN 126 Ca 0.13 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 2c91 h GLN 126 Cb 0.03 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2c91 h GLN 126 CO -0.02 0.34 0.16 -0.07 -1.93 0.00 0.00 178.83 177.31 2c91 h LEU 127 N 0.53 0.95 -0.38 -2.39 3.38 -1.05 -1.50 115.31 114.84 2c91 h LEU 127 Ca 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2c91 h LEU 127 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2c91 h LEU 127 CO -0.18 0.91 0.21 -0.74 0.09 0.00 0.00 178.44 178.72 2c91 h HIS 128 N 0.96 0.53 -0.20 1.13 2.76 -0.87 -2.17 115.15 117.29 2c91 h HIS 128 Ca 0.21 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2c91 h HIS 128 Cb 0.33 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2c91 h HIS 128 CO 0.02 0.42 0.14 1.96 -1.30 0.00 0.00 177.93 179.17 2c91 h GLN 129 N 0.49 0.21 0.00 5.26 1.08 -0.52 0.85 115.11 122.48 2c91 h GLN 129 Ca 0.14 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2c91 h GLN 129 Cb 0.06 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2c91 h GLN 129 CO -0.02 0.14 0.00 0.39 -0.95 0.00 0.00 178.83 178.39 2c91 n GLU 130 N -4.50 0.58 -0.77 1.46 1.02 -0.62 -4.89 120.64 112.92 2c91 n GLU 130 Ca 0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2c91 n GLU 130 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2c91 n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c91 n GLY 131 N 0.83 0.59 0.20 0.62 0.00 0.29 -4.95 105.19 102.77 2c91 n GLY 131 Ca 0.16 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2c91 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c91 h LYS 132 N 1.21 0.00 -2.85 1.61 1.57 -1.57 -3.42 116.57 113.12 2c91 h LYS 132 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2c91 h LYS 132 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 2c91 h LYS 132 CO 0.00 0.00 -0.14 -0.59 -0.57 0.00 0.00 179.45 178.15 2c91 s PHE 133 N -3.20 -0.29 -0.12 -1.35 -0.71 -1.26 -1.92 117.98 109.13 2c91 s PHE 133 Ca 0.08 0.40 -0.04 0.00 -1.04 0.00 0.00 56.93 56.33 2c91 s PHE 133 Cb 0.06 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2c91 s PHE 133 CO 0.65 -0.49 -0.05 0.28 -1.34 0.00 0.00 175.22 174.28 2c91 h VAL 134 N 3.43 0.04 -3.64 -2.49 2.07 -1.30 -3.43 116.25 110.93 2c91 h VAL 134 Ca -0.30 -1.03 -0.67 0.00 0.82 0.00 0.00 66.70 65.52 2c91 h VAL 134 Cb 1.18 0.07 -0.17 0.00 -1.52 0.00 0.00 31.29 30.85 2c91 h VAL 134 CO 0.41 0.01 -0.76 -1.61 0.02 0.00 0.00 177.57 175.65 2c91 s GLU 135 N -1.81 2.07 -0.08 1.57 2.02 -0.14 -5.01 118.70 117.32 2c91 s GLU 135 Ca -0.06 -1.04 -0.08 0.00 0.02 0.00 0.00 54.97 53.82 2c91 s GLU 135 Cb 0.01 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 2c91 s GLU 135 CO 0.09 0.51 0.20 -1.17 0.02 0.00 0.00 175.26 174.91 2c91 s LEU 136 N -2.07 4.40 0.27 1.80 2.96 -1.26 -1.09 118.68 123.69 2c91 s LEU 136 Ca 0.20 0.55 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 2c91 s LEU 136 Cb -0.11 -2.26 -0.06 0.00 0.50 0.00 0.00 46.19 44.27 2c91 s LEU 136 CO 0.12 0.37 0.01 -0.83 -1.32 0.00 0.00 176.35 174.70 2c91 s GLY 137 N -1.18 1.80 0.10 7.98 0.00 0.29 -0.56 107.32 115.75 2c91 s GLY 137 Ca 0.19 -1.90 0.09 0.00 0.00 0.00 0.00 44.72 43.09 2c91 s GLY 137 CO 0.08 -1.75 -0.22 1.08 0.00 0.00 0.00 173.10 172.29 2c91 s LEU 138 N -3.40 2.30 -0.01 0.66 1.43 -0.34 -1.83 118.68 117.49 2c91 s LEU 138 Ca 0.32 -0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2c91 s LEU 138 Cb 0.06 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.36 2c91 s LEU 138 CO 0.12 0.08 0.02 -0.55 0.23 0.00 0.00 176.35 176.24 2c91 s SER 139 N -1.90 -0.00 -0.87 2.29 0.15 -0.48 -0.87 113.70 112.01 2c91 s SER 139 Ca 0.07 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2c91 s SER 139 Cb -0.10 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2c91 s SER 139 CO 0.04 -0.03 0.00 0.59 1.20 0.00 0.00 173.24 175.05 2c91 n ASN 140 N 3.27 -4.44 -4.86 5.45 3.02 -1.25 -3.53 115.26 112.91 2c91 n ASN 140 Ca -0.15 0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.27 2c91 n ASN 140 Cb 0.58 -2.66 -0.06 0.00 -0.61 0.00 0.00 39.78 37.03 2c91 n ASN 140 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2c91 s TYR 141 N -2.15 3.47 0.49 3.10 1.51 -1.26 -0.44 117.35 122.07 2c91 s TYR 141 Ca 0.00 0.98 -0.19 0.00 -1.01 0.00 0.00 57.07 56.85 2c91 s TYR 141 Cb 0.00 -2.33 -0.08 0.00 -0.11 0.00 0.00 41.96 39.44 2c91 s TYR 141 CO 0.00 0.29 1.01 0.00 -1.11 0.00 0.00 175.55 175.74 2c91 s ALA 142 N -1.74 2.94 0.24 3.71 0.00 -1.26 -4.70 121.76 120.95 2c91 s ALA 142 Ca 0.46 0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 2c91 s ALA 142 Cb -0.12 -3.19 0.43 0.00 0.00 0.00 0.00 23.12 20.23 2c91 s ALA 142 CO 0.20 -0.26 1.66 0.66 0.00 0.00 0.00 175.76 178.02 2c91 h SER 143 N 1.33 -0.19 -0.04 0.00 4.64 -1.93 0.21 113.55 117.57 2c91 h SER 143 Ca -0.48 0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 2c91 h SER 143 Cb 1.20 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 2c91 h SER 143 CO 0.60 -0.12 -0.08 4.11 -0.87 0.00 0.00 176.83 180.47 2c91 h TRP 144 N 0.17 0.28 -0.17 4.77 5.08 -1.94 -0.04 115.95 124.10 2c91 h TRP 144 Ca 0.40 -0.03 -0.19 0.00 1.08 0.00 0.00 58.89 60.16 2c91 h TRP 144 Cb 0.70 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 26.77 2c91 h TRP 144 CO -0.35 0.36 -0.64 0.93 -1.28 0.00 0.00 178.44 177.46 2c91 h GLU 145 N 0.27 0.64 -0.30 0.12 5.08 -1.04 -1.77 114.58 117.57 2c91 h GLU 145 Ca 0.06 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2c91 h GLU 145 Cb 0.32 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2c91 h GLU 145 CO 0.02 1.07 0.17 0.28 -1.00 0.00 0.00 179.01 179.56 2c91 h VAL 146 N 0.47 1.03 -0.66 3.13 2.07 -0.05 -1.88 116.25 120.36 2c91 h VAL 146 Ca -0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2c91 h VAL 146 Cb 1.23 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2c91 h VAL 146 CO 0.13 0.07 0.42 0.00 0.02 0.00 0.00 177.57 178.20 2c91 h ALA 147 N 1.13 0.83 -0.56 1.67 0.00 -0.90 0.29 119.26 121.73 2c91 h ALA 147 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2c91 h ALA 147 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2c91 h ALA 147 CO -0.06 0.27 0.31 1.49 0.00 0.00 0.00 179.25 181.27 2c91 h GLU 148 N 0.89 0.58 0.08 0.00 4.81 -1.20 -1.22 114.58 118.52 2c91 h GLU 148 Ca 0.24 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2c91 h GLU 148 Cb -0.08 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.17 2c91 h GLU 148 CO -0.05 0.39 -0.04 0.82 -0.73 0.00 0.00 179.01 179.40 2c91 h ILE 149 N 0.60 1.12 -0.86 2.32 2.04 -0.63 0.21 117.51 122.31 2c91 h ILE 149 Ca 0.24 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.40 2c91 h ILE 149 Cb 0.10 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2c91 h ILE 149 CO -0.14 0.18 0.55 0.00 0.00 0.00 0.00 178.15 178.74 2c91 h THR 151 N 1.07 1.17 -0.62 0.00 2.02 -1.13 -2.02 112.91 113.39 2c91 h THR 151 Ca 0.35 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 2c91 h THR 151 Cb 0.02 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2c91 h THR 151 CO -0.12 0.18 0.08 -0.07 0.37 0.00 0.00 175.52 175.96 2c91 h LEU 152 N 0.64 1.00 -0.47 2.58 3.38 -0.23 -2.78 115.31 119.43 2c91 h LEU 152 Ca 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2c91 h LEU 152 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2c91 h LEU 152 CO -0.03 1.02 0.24 0.00 0.09 0.00 0.00 178.44 179.77 2c91 h LYS 154 N 0.62 -0.43 0.00 0.00 1.57 -1.30 -0.18 116.57 116.86 2c91 h LYS 154 Ca 0.16 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2c91 h LYS 154 Cb 0.08 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2c91 h LYS 154 CO -0.02 -0.29 -0.33 0.66 -0.57 0.00 0.00 179.45 178.90 2c91 h SER 155 N -0.45 0.00 -0.52 0.86 4.64 -1.46 -3.02 113.55 113.61 2c91 h SER 155 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2c91 h SER 155 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2c91 h SER 155 CO -0.28 0.33 0.00 0.59 -0.87 0.00 0.00 176.83 176.60 2c91 n ASN 156 N -3.61 3.66 -2.96 4.97 3.02 -0.58 -4.98 115.26 114.77 2c91 n ASN 156 Ca -0.01 -2.00 -0.22 0.00 -0.03 0.00 0.00 54.58 52.32 2c91 n ASN 156 Cb 0.45 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 2c91 n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c91 n GLY 157 N 1.58 -0.52 3.90 7.41 0.00 -0.40 -5.01 105.19 112.14 2c91 n GLY 157 Ca 0.21 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 2c91 n GLY 157 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2c91 s TRP 158 N -3.14 3.47 0.17 1.61 0.51 -0.22 -5.04 118.94 116.31 2c91 s TRP 158 Ca 0.27 0.54 -0.34 0.00 -2.12 0.00 0.00 56.10 54.45 2c91 s TRP 158 Cb -0.12 -2.00 -0.14 0.00 -0.81 0.00 0.00 33.47 30.40 2c91 s TRP 158 CO 0.33 0.37 1.54 1.51 -0.51 0.00 0.00 176.95 180.19 2c91 n ILE 159 N -0.24 0.16 -2.95 2.03 3.06 -1.26 -4.48 119.36 115.67 2c91 n ILE 159 Ca -0.03 -0.04 -0.33 0.00 -2.50 0.00 0.00 62.75 59.86 2c91 n ILE 159 Cb 0.53 -1.49 -0.07 0.00 0.54 0.00 0.00 39.64 39.15 2c91 n ILE 159 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2c91 s LEU 160 N 0.75 3.99 0.32 9.51 1.43 -1.26 -4.93 118.68 128.49 2c91 s LEU 160 Ca 0.77 1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 55.11 2c91 s LEU 160 Cb -0.69 -4.35 -0.10 0.00 0.03 0.00 0.00 46.19 41.08 2c91 s LEU 160 CO 0.40 -0.30 1.24 -2.16 0.23 0.00 0.00 176.35 175.76 2c91 s PRO 161 N -3.09 4.44 0.00 1.29 0.04 -1.26 -4.51 135.00 131.91 2c91 s PRO 161 Ca 0.59 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.77 2c91 s PRO 161 Cb -0.10 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 2c91 s PRO 161 CO 0.15 -0.06 0.45 0.25 0.04 0.00 0.00 177.00 177.83 2c91 n THR 162 N 0.91 0.00 -4.39 1.26 -2.24 0.27 -4.76 114.28 105.32 2c91 n THR 162 Ca -0.00 -0.41 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 2c91 n THR 162 Cb 0.43 1.06 -0.14 0.00 -2.10 0.00 0.00 70.33 69.57 2c91 n THR 162 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2c91 s VAL 163 N -1.19 0.81 -0.09 2.28 1.01 -1.22 -0.96 120.40 121.04 2c91 s VAL 163 Ca 0.05 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2c91 s VAL 163 Cb 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2c91 s VAL 163 CO 0.19 0.16 -0.21 -0.47 0.00 0.00 0.00 175.10 174.77 2c91 s TYR 164 N -0.37 2.25 -0.26 5.22 6.14 -0.11 -1.20 117.35 129.02 2c91 s TYR 164 Ca 0.03 -0.91 -0.07 0.00 0.64 0.00 0.00 57.07 56.76 2c91 s TYR 164 Cb -0.05 -1.53 -0.02 0.00 0.42 0.00 0.00 41.96 40.79 2c91 s TYR 164 CO -0.00 -0.38 0.07 -1.14 0.64 0.00 0.00 175.55 174.74 2c91 s GLN 165 N 0.44 3.49 0.06 4.97 0.74 -0.05 -0.90 119.66 128.41 2c91 s GLN 165 Ca -0.17 -0.59 -0.00 0.00 0.05 0.00 0.00 55.36 54.65 2c91 s GLN 165 Cb -0.17 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2c91 s GLN 165 CO 0.07 -0.26 -0.04 0.20 -0.55 0.00 0.00 175.29 174.71 2c91 s GLY 166 N 1.58 0.52 -0.21 2.59 0.00 -0.06 -3.74 107.32 108.00 2c91 s GLY 166 Ca 0.05 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 2c91 s GLY 166 CO 0.03 -1.26 1.22 -0.29 0.00 0.00 0.00 173.10 172.81 2c91 s MET 167 N -3.51 4.16 -0.25 2.90 1.75 -1.26 -0.82 119.30 122.27 2c91 s MET 167 Ca 0.05 1.49 -0.13 0.00 -1.25 0.00 0.00 55.69 55.84 2c91 s MET 167 Cb 0.04 -3.77 0.08 0.00 2.84 0.00 0.00 34.83 34.03 2c91 s MET 167 CO -0.07 -0.80 0.60 -0.47 -0.65 0.00 0.00 175.02 173.63 2c91 s TYR 168 N 3.65 -0.96 0.31 4.11 5.04 -0.74 -4.70 117.35 124.06 2c91 s TYR 168 Ca 0.53 1.90 -0.19 0.00 -2.44 0.00 0.00 57.07 56.87 2c91 s TYR 168 Cb -0.19 0.54 0.05 0.00 0.35 0.00 0.00 41.96 42.71 2c91 s TYR 168 CO 0.15 -0.49 0.83 0.54 -1.34 0.00 0.00 175.55 175.24 2c91 s ASN 169 N 1.74 -0.07 0.53 4.32 2.20 -0.89 -3.92 114.94 118.86 2c91 s ASN 169 Ca -0.09 -0.88 0.21 0.00 -0.94 0.00 0.00 52.86 51.15 2c91 s ASN 169 Cb -0.07 0.73 1.38 0.00 -2.00 0.00 0.00 41.25 41.30 2c91 s ASN 169 CO -0.18 -1.43 2.11 0.00 -2.94 0.00 0.00 177.10 174.67 2c91 h ALA 170 N 2.00 2.08 -0.27 3.54 0.00 -1.85 -1.32 119.26 123.44 2c91 h ALA 170 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2c91 h ALA 170 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2c91 h ALA 170 CO 0.35 -0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.64 2c91 n THR 171 N -4.38 1.50 -3.47 0.00 -2.24 -1.26 -4.47 114.28 99.96 2c91 n THR 171 Ca 0.01 -1.37 -0.27 0.00 -2.27 0.00 0.00 64.05 60.15 2c91 n THR 171 Cb 0.25 0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 2c91 n THR 171 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2c91 s THR 172 N -1.74 -0.02 -0.05 4.28 2.01 -0.50 -4.85 115.64 114.77 2c91 s THR 172 Ca 0.29 -1.23 0.08 0.00 0.31 0.00 0.00 61.69 61.13 2c91 s THR 172 Cb 0.20 -1.01 0.12 0.00 0.01 0.00 0.00 72.50 71.81 2c91 s THR 172 CO 0.11 -0.82 1.00 0.54 -0.69 0.00 0.00 174.62 174.76 2c91 n ARG 173 N 4.56 0.94 -0.28 4.92 1.74 -1.26 -2.09 116.66 125.19 2c91 n ARG 173 Ca 0.05 -1.65 0.11 0.00 -0.77 0.00 0.00 57.85 55.58 2c91 n ARG 173 Cb 0.40 -0.98 0.35 0.00 -1.02 0.00 0.00 32.46 31.21 2c91 n ARG 173 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2c91 h GLN 174 N 0.00 0.74 0.00 5.56 4.15 -1.89 -0.90 115.11 122.77 2c91 h GLN 174 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2c91 h GLN 174 Cb 1.06 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2c91 h GLN 174 CO 0.00 0.49 0.12 -0.39 -1.93 0.00 0.00 178.83 177.12 2c91 h VAL 175 N 0.76 0.00 -0.30 2.39 -1.51 -1.87 -3.18 116.25 112.54 2c91 h VAL 175 Ca 0.45 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.85 2c91 h VAL 175 Cb 0.64 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 2c91 h VAL 175 CO -0.21 0.00 -0.09 -0.33 -1.23 0.00 0.00 177.57 175.71 2c91 h GLU 176 N 0.00 0.59 -0.25 5.19 5.08 -1.55 -1.67 114.58 121.97 2c91 h GLU 176 Ca 0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2c91 h GLU 176 Cb 0.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2c91 h GLU 176 CO 0.00 0.80 0.11 0.00 -1.00 0.00 0.00 179.01 178.91 2c91 h ALA 177 N 0.78 0.32 0.00 3.43 0.00 -1.76 -3.38 119.26 118.65 2c91 h ALA 177 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2c91 h ALA 177 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2c91 h ALA 177 CO 0.03 -0.10 -0.90 0.39 0.00 0.00 0.00 179.25 178.68 2c91 n GLU 178 N -4.80 0.00 0.08 0.00 1.02 -1.25 -4.72 120.64 110.96 2c91 n GLU 178 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 2c91 n GLU 178 Cb 0.12 -0.83 -0.08 0.00 -0.02 0.00 0.00 31.44 30.62 2c91 n GLU 178 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2c91 h LEU 179 N 0.00 -0.13 -0.13 -4.62 5.85 -1.72 -2.31 115.31 112.25 2c91 h LEU 179 Ca 0.00 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.60 2c91 h LEU 179 Cb 0.90 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2c91 h LEU 179 CO 0.00 0.06 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.08 2c91 h LEU 180 N -0.32 -0.08 -1.33 2.25 4.07 -1.49 0.18 115.31 118.59 2c91 h LEU 180 Ca -0.02 0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.07 2c91 h LEU 180 Cb 0.26 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 2c91 h LEU 180 CO 0.03 -0.02 0.52 -0.65 -1.08 0.00 0.00 178.44 177.24 2c91 h PRO 181 N 0.02 0.73 -0.23 1.13 0.11 -1.76 -0.22 132.00 131.78 2c91 h PRO 181 Ca 0.06 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2c91 h PRO 181 Cb 0.08 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 2c91 h PRO 181 CO -0.11 0.49 0.11 0.00 -0.21 0.00 0.00 178.00 178.28 2c91 h LEU 183 N 0.25 0.49 -0.41 0.00 3.38 -0.35 -1.39 115.31 117.28 2c91 h LEU 183 Ca 0.08 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2c91 h LEU 183 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2c91 h LEU 183 CO -0.01 0.65 -0.09 0.03 0.09 0.00 0.00 178.44 179.10 2c91 h ARG 184 N 0.47 0.79 -0.66 1.13 2.47 -0.99 0.15 114.38 117.75 2c91 h ARG 184 Ca 0.09 -0.30 0.02 0.00 -1.26 0.00 0.00 59.98 58.53 2c91 h ARG 184 Cb 0.49 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.73 2c91 h ARG 184 CO 0.03 0.91 0.42 1.25 0.56 0.00 0.00 179.97 183.15 2c91 h HIS 185 N 0.61 0.79 -0.02 3.04 2.76 -0.86 -3.08 115.15 118.39 2c91 h HIS 185 Ca 0.10 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2c91 h HIS 185 Cb 0.62 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2c91 h HIS 185 CO 0.05 0.47 -0.14 1.19 -1.30 0.00 0.00 177.93 178.21 2c91 n PHE 186 N -4.67 0.00 -1.75 5.26 3.72 -0.57 -4.98 117.46 114.48 2c91 n PHE 186 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 2c91 n PHE 186 Cb 0.06 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2c91 n PHE 186 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2c91 n GLY 187 N 1.32 0.78 3.84 1.37 0.00 0.26 -5.03 105.19 107.73 2c91 n GLY 187 Ca 0.14 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 2c91 n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c91 s LEU 188 N -0.28 4.16 0.46 0.99 1.02 0.27 -4.84 118.68 120.46 2c91 s LEU 188 Ca 0.00 0.30 -0.07 0.00 0.02 0.00 0.00 54.13 54.39 2c91 s LEU 188 Cb 0.00 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 2c91 s LEU 188 CO 0.00 0.32 0.78 0.00 0.02 0.00 0.00 176.35 177.47 2c91 s ARG 189 N -1.50 3.61 -0.12 1.70 1.70 -0.14 -4.48 118.95 119.71 2c91 s ARG 189 Ca 0.21 0.27 0.03 0.00 -0.47 0.00 0.00 55.73 55.76 2c91 s ARG 189 Cb -0.12 -2.38 0.00 0.00 -0.57 0.00 0.00 34.95 31.88 2c91 s ARG 189 CO 0.11 -0.15 -0.21 0.12 -1.08 0.00 0.00 175.30 174.09 2c91 s PHE 190 N -2.63 2.65 -0.17 5.89 5.36 -1.26 -0.94 117.98 126.88 2c91 s PHE 190 Ca 0.48 -1.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.36 2c91 s PHE 190 Cb -0.10 -1.78 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 2c91 s PHE 190 CO 0.41 -0.45 -0.07 0.71 -1.46 0.00 0.00 175.22 174.37 2c91 s TYR 191 N 0.53 2.94 -0.22 10.12 1.51 -0.08 -1.15 117.35 131.00 2c91 s TYR 191 Ca -0.13 -0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 55.16 2c91 s TYR 191 Cb -0.17 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2c91 s TYR 191 CO 0.05 -0.25 0.43 0.00 -1.11 0.00 0.00 175.55 174.66 2c91 s ALA 192 N 0.72 3.56 0.38 3.71 0.00 -0.18 -0.89 121.76 129.07 2c91 s ALA 192 Ca -0.03 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.45 2c91 s ALA 192 Cb -0.15 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 2c91 s ALA 192 CO 0.02 -0.41 0.40 1.52 0.00 0.00 0.00 175.76 177.29 2c91 s TYR 193 N 1.56 2.84 -1.45 0.00 -0.85 -0.00 -0.58 117.35 118.87 2c91 s TYR 193 Ca 0.20 -0.38 -0.06 0.00 -0.52 0.00 0.00 57.07 56.30 2c91 s TYR 193 Cb -0.15 -2.08 0.04 0.00 0.38 0.00 0.00 41.96 40.15 2c91 s TYR 193 CO 0.09 -0.08 0.68 0.09 -1.52 0.00 0.00 175.55 174.81 2c91 n ASN 194 N -1.57 -2.01 0.30 -0.18 5.03 -1.26 -1.80 115.26 113.78 2c91 n ASN 194 Ca 0.02 -0.90 0.20 0.00 0.87 0.00 0.00 54.58 54.78 2c91 n ASN 194 Cb 0.60 -3.48 1.04 0.00 -1.02 0.00 0.00 39.78 36.92 2c91 n ASN 194 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2c91 h PRO 195 N -1.86 0.00 -0.10 3.52 0.13 -1.79 -1.15 132.00 130.75 2c91 h PRO 195 Ca -0.61 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2c91 h PRO 195 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2c91 h PRO 195 CO 0.64 0.00 -0.04 1.28 -0.23 0.00 0.00 178.00 179.65 2c91 n LEU 196 N -2.98 2.97 -3.79 1.56 4.77 -1.26 -4.61 117.00 113.66 2c91 n LEU 196 Ca -0.02 -3.17 -0.25 0.00 -0.03 0.00 0.00 56.01 52.54 2c91 n LEU 196 Cb 0.12 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2c91 n LEU 196 CO 0.20 0.78 0.02 0.00 -1.33 0.00 0.00 177.39 177.06 2c91 n ALA 197 N -1.10 -1.67 -1.17 -1.18 0.00 -0.44 -0.56 120.51 114.39 2c91 n ALA 197 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.58 2c91 n ALA 197 Cb 0.75 -3.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.00 2c91 n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c91 n GLY 198 N -1.65 0.73 0.00 0.00 0.00 -1.26 -2.19 105.19 100.82 2c91 n GLY 198 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2c91 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c91 n GLY 199 N -0.93 0.53 0.34 -0.02 0.00 0.28 -4.72 105.19 100.67 2c91 n GLY 199 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2c91 n GLY 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2c91 h LEU 200 N 0.00 0.92 0.00 0.99 5.85 -0.84 -2.43 115.31 119.80 2c91 h LEU 200 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2c91 h LEU 200 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2c91 h LEU 200 CO 0.00 0.73 0.00 0.18 -0.34 0.00 0.00 178.44 179.01 2c91 n LEU 201 N -4.37 0.00 0.21 2.25 4.77 -0.39 -2.06 117.00 117.41 2c91 n LEU 201 Ca 0.08 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2c91 n LEU 201 Cb 0.09 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.43 2c91 n LEU 201 CO 0.38 0.00 0.76 0.71 -1.33 0.00 0.00 177.39 177.91 2c91 h THR 202 N 0.00 0.26 0.00 -5.08 1.35 -1.65 -3.23 112.91 104.56 2c91 h THR 202 Ca 0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 2c91 h THR 202 Cb 0.00 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2c91 h THR 202 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 2c91 n GLY 203 N 0.85 0.48 0.05 5.82 0.00 -0.87 -3.99 105.19 107.53 2c91 n GLY 203 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2c91 n GLY 203 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2c91 n LYS 204 N -2.25 0.10 -4.09 1.61 2.85 -1.26 -4.85 118.16 110.27 2c91 n LYS 204 Ca 0.00 0.18 -0.22 0.00 -1.05 0.00 0.00 58.31 57.22 2c91 n LYS 204 Cb 0.07 -1.65 -0.05 0.00 -0.65 0.00 0.00 35.03 32.76 2c91 n LYS 204 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2c91 s TYR 205 N -3.08 2.94 0.07 5.58 2.02 -1.26 -5.13 117.35 118.48 2c91 s TYR 205 Ca 0.10 -0.20 0.08 0.00 -0.37 0.00 0.00 57.07 56.68 2c91 s TYR 205 Cb 0.14 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2c91 s TYR 205 CO 0.47 0.46 -0.21 -1.59 -1.57 0.00 0.00 175.55 173.11 2c91 s LYS 206 N -3.84 1.27 0.34 -0.62 -2.85 -1.26 -5.04 119.74 107.75 2c91 s LYS 206 Ca 0.35 -1.04 0.13 0.00 -1.00 0.00 0.00 55.97 54.41 2c91 s LYS 206 Cb -0.07 -1.45 0.97 0.00 -2.06 0.00 0.00 37.83 35.22 2c91 s LYS 206 CO 0.24 0.36 1.74 -0.92 0.10 0.00 0.00 175.35 176.86 2c91 h TYR 207 N 4.53 0.90 -0.02 1.78 5.03 -1.97 -1.48 116.97 125.74 2c91 h TYR 207 Ca -0.44 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.90 2c91 h TYR 207 Cb 1.17 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 39.19 2c91 h TYR 207 CO 0.55 0.05 0.00 -0.85 -1.32 0.00 0.00 178.16 176.59 2c91 n GLU 208 N -4.81 1.36 0.14 1.82 0.00 -1.26 -2.95 120.64 114.93 2c91 n GLU 208 Ca 0.27 -0.52 0.19 0.00 0.00 0.00 0.00 57.16 57.10 2c91 n GLU 208 Cb 0.81 -1.48 0.77 0.00 0.00 0.00 0.00 31.44 31.55 2c91 n GLU 208 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2c91 h ASP 209 N 1.25 0.00 0.47 -1.84 3.32 -1.66 -1.64 116.42 116.32 2c91 h ASP 209 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2c91 h ASP 209 Cb 0.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2c91 h ASP 209 CO 0.00 0.00 -0.26 0.07 -1.72 0.00 0.00 179.24 177.33 2c91 h LYS 210 N 0.00 0.00 0.00 3.56 2.10 -1.74 0.88 116.57 121.36 2c91 h LYS 210 Ca 0.15 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.75 2c91 h LYS 210 Cb 0.88 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 2c91 h LYS 210 CO -0.00 0.26 -1.82 -0.25 -2.00 0.00 0.00 179.45 175.63 2c91 n ASP 211 N -3.82 0.21 0.00 7.07 8.00 -0.67 -4.80 116.55 122.54 2c91 n ASP 211 Ca -0.02 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2c91 n ASP 211 Cb 0.35 1.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.95 2c91 n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c91 n GLY 212 N 1.31 0.70 0.25 0.44 0.00 -0.87 -4.92 105.19 102.10 2c91 n GLY 212 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 2c91 n GLY 212 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c91 h LYS 213 N 0.00 0.12 -6.35 1.61 1.57 -1.80 -3.46 116.57 108.26 2c91 h LYS 213 Ca 0.00 -0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 58.31 2c91 h LYS 213 Cb 0.00 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.31 2c91 h LYS 213 CO 0.00 0.08 -0.92 1.04 -0.57 0.00 0.00 179.45 179.08 2c91 n GLN 214 N -5.29 -2.11 -1.83 3.15 6.02 0.29 -4.83 117.38 112.78 2c91 n GLN 214 Ca 0.11 0.43 -0.42 0.00 -0.01 0.00 0.00 57.00 57.10 2c91 n GLN 214 Cb 0.40 -4.24 -0.03 0.00 1.02 0.00 0.00 30.24 27.39 2c91 n GLN 214 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2c91 s PRO 215 N -6.26 4.17 0.23 -1.09 0.04 -1.26 -4.88 135.00 125.95 2c91 s PRO 215 Ca 0.28 2.43 -0.32 0.00 0.04 0.00 0.00 61.00 63.44 2c91 s PRO 215 Cb -0.11 -3.88 -0.13 0.00 0.04 0.00 0.00 34.50 30.43 2c91 s PRO 215 CO 0.87 -0.85 1.49 1.55 0.04 0.00 0.00 177.00 180.10 2c91 n VAL 216 N 5.18 0.74 -3.29 -0.36 3.14 -1.26 -4.19 118.33 118.29 2c91 n VAL 216 Ca 0.18 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 2c91 n VAL 216 Cb 0.41 -1.60 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 2c91 n VAL 216 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2c91 n GLY 217 N 2.47 -0.32 0.33 7.55 0.00 -0.90 -4.92 105.19 109.41 2c91 n GLY 217 Ca 0.12 -1.27 0.26 0.00 0.00 0.00 0.00 46.02 45.13 2c91 n GLY 217 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2c91 h ARG 218 N 0.17 0.11 -0.01 1.61 9.65 -1.88 -2.58 114.38 121.46 2c91 h ARG 218 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2c91 h ARG 218 Cb 0.00 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 2c91 h ARG 218 CO 0.00 0.07 -0.68 1.19 2.80 0.00 0.00 179.97 183.35 2c91 n PHE 219 N -5.23 0.00 -3.74 2.20 3.01 -1.26 -4.32 117.46 108.12 2c91 n PHE 219 Ca 0.33 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.66 2c91 n PHE 219 Cb 1.07 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 40.40 2c91 n PHE 219 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2c91 s PHE 220 N -2.70 -0.27 0.00 1.38 0.08 -0.97 -4.67 117.98 110.83 2c91 s PHE 220 Ca 0.14 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2c91 s PHE 220 Cb 0.17 0.00 0.00 0.00 -0.57 0.00 0.00 43.02 42.62 2c91 s PHE 220 CO 0.69 -0.21 0.00 0.41 -0.10 0.00 0.00 175.22 176.02 2c91 n GLY 221 N 4.18 0.81 3.67 4.36 0.00 -1.26 -2.11 105.19 114.84 2c91 n GLY 221 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2c91 n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c91 s ASN 222 N -1.89 3.63 0.34 1.61 2.20 -1.26 -5.03 114.94 114.53 2c91 s ASN 222 Ca 0.00 -1.64 0.26 0.00 -0.94 0.00 0.00 52.86 50.54 2c91 s ASN 222 Cb 0.00 0.46 0.85 0.00 -2.00 0.00 0.00 41.25 40.55 2c91 s ASN 222 CO 0.00 -0.85 1.76 0.78 -2.94 0.00 0.00 177.10 175.85 2c91 h ASN 223 N 1.54 0.00 -0.13 3.54 2.35 -1.97 -2.81 115.58 118.09 2c91 h ASN 223 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2c91 h ASN 223 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2c91 h ASN 223 CO 0.69 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 177.26 2c91 n TRP 224 N -2.60 0.14 -0.01 1.19 7.02 -1.26 -4.65 117.44 117.28 2c91 n TRP 224 Ca 0.03 -0.07 -0.10 0.00 -1.02 0.00 0.00 57.50 56.34 2c91 n TRP 224 Cb 0.38 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.23 2c91 n TRP 224 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2c91 h ALA 225 N 4.59 0.07 -0.86 6.99 0.00 -1.68 -0.67 119.26 127.70 2c91 h ALA 225 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2c91 h ALA 225 Cb 0.92 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2c91 h ALA 225 CO 0.00 -0.49 0.57 1.49 0.00 0.00 0.00 179.25 180.82 2c91 h GLU 226 N -0.01 1.13 -0.28 0.00 4.57 -1.82 0.11 114.58 118.27 2c91 h GLU 226 Ca 0.06 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2c91 h GLU 226 Cb 0.09 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2c91 h GLU 226 CO -0.12 0.75 0.14 1.15 -1.18 0.00 0.00 179.01 179.75 2c91 h THR 227 N 1.16 1.14 -0.88 0.32 2.02 -1.76 -0.13 112.91 114.79 2c91 h THR 227 Ca 0.31 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 67.12 2c91 h THR 227 Cb -0.13 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 2c91 h THR 227 CO -0.07 0.14 0.57 1.88 0.37 0.00 0.00 175.52 178.42 2c91 h TYR 228 N 0.33 1.08 -0.41 3.16 -1.99 -0.39 -1.06 116.97 117.68 2c91 h TYR 228 Ca 0.10 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.75 2c91 h TYR 228 Cb 0.10 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 2c91 h TYR 228 CO -0.02 0.65 -0.14 0.00 -0.00 0.00 0.00 178.16 178.64 2c91 h ARG 229 N 1.14 0.82 -0.10 4.88 3.08 -0.44 -0.95 114.38 122.80 2c91 h ARG 229 Ca 0.34 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2c91 h ARG 229 Cb -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2c91 h ARG 229 CO -0.10 0.96 -0.06 -0.91 -1.07 0.00 0.00 179.97 178.79 2c91 h ASN 230 N 0.63 0.13 -0.09 7.04 2.35 -0.86 0.43 115.58 125.21 2c91 h ASN 230 Ca 0.10 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2c91 h ASN 230 Cb 0.68 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 2c91 h ASN 230 CO 0.05 0.22 -0.14 -0.09 -1.65 0.00 0.00 177.43 175.82 2c91 h ARG 231 N 0.14 0.26 0.00 0.81 2.43 -0.60 -3.42 114.38 114.00 2c91 h ARG 231 Ca 0.03 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2c91 h ARG 231 Cb 0.21 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2c91 h ARG 231 CO 0.01 0.73 -0.63 1.19 -1.51 0.00 0.00 179.97 179.76 2c91 n PHE 232 N -4.60 0.00 -2.73 2.20 0.99 -0.42 -4.37 117.46 108.54 2c91 n PHE 232 Ca -0.07 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 56.94 2c91 n PHE 232 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.85 2c91 n PHE 232 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.76 178.63 2c91 n TRP 233 N -1.01 4.71 -4.58 1.38 -0.00 0.15 -4.83 117.44 113.27 2c91 n TRP 233 Ca 0.00 -3.11 -0.21 0.00 -0.00 0.00 0.00 57.50 54.18 2c91 n TRP 233 Cb 0.04 -2.38 -0.15 0.00 -0.00 0.00 0.00 31.31 28.82 2c91 n TRP 233 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2c91 s LYS 234 N 2.67 1.06 0.24 5.87 1.02 -1.26 -4.83 119.74 124.51 2c91 s LYS 234 Ca 0.47 -0.50 -0.04 0.00 0.02 0.00 0.00 55.97 55.93 2c91 s LYS 234 Cb 0.01 -1.03 0.46 0.00 -0.52 0.00 0.00 37.83 36.75 2c91 s LYS 234 CO 0.03 0.28 1.73 1.49 -0.92 0.00 0.00 175.35 177.97 2c91 h GLU 235 N 5.73 0.45 0.00 1.68 4.81 -1.98 0.10 114.58 125.38 2c91 h GLU 235 Ca -0.34 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 2c91 h GLU 235 Cb 1.17 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2c91 h GLU 235 CO 0.48 0.30 -0.23 0.45 -0.73 0.00 0.00 179.01 179.28 2c91 h HIS 236 N 0.46 0.00 -0.32 0.92 3.86 -1.97 -1.60 115.15 116.51 2c91 h HIS 236 Ca 0.41 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.55 2c91 h HIS 236 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2c91 h HIS 236 CO -0.16 0.23 -0.08 1.25 0.86 0.00 0.00 177.93 180.04 2c91 h HIS 237 N 0.00 0.69 -0.29 2.45 -0.00 -1.14 -0.67 115.15 116.20 2c91 h HIS 237 Ca -0.00 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.24 2c91 h HIS 237 Cb 0.45 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 2c91 h HIS 237 CO 0.00 0.79 0.15 0.74 -0.00 0.00 0.00 177.93 179.62 2c91 h PHE 238 N 0.39 0.29 -0.79 5.26 -1.00 -0.94 -1.13 116.94 119.01 2c91 h PHE 238 Ca 0.08 0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.97 2c91 h PHE 238 Cb 0.57 -0.09 -0.07 0.00 3.61 0.00 0.00 35.95 39.97 2c91 h PHE 238 CO 0.05 0.16 0.43 0.93 -1.61 0.00 0.00 178.31 178.27 2c91 h GLU 239 N 0.32 0.69 -0.52 1.51 5.08 -1.22 -0.88 114.58 119.57 2c91 h GLU 239 Ca 0.12 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2c91 h GLU 239 Cb 0.02 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2c91 h GLU 239 CO -0.07 0.46 0.13 0.00 -1.00 0.00 0.00 179.01 178.53 2c91 h ALA 240 N 1.45 0.68 -0.53 3.43 0.00 -0.72 -2.23 119.26 121.35 2c91 h ALA 240 Ca 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2c91 h ALA 240 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2c91 h ALA 240 CO -0.26 0.37 0.27 0.82 0.00 0.00 0.00 179.25 180.44 2c91 h ILE 241 N 0.71 1.19 -0.79 0.00 2.04 -0.69 -2.63 117.51 117.34 2c91 h ILE 241 Ca 0.16 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.55 2c91 h ILE 241 Cb 0.32 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2c91 h ILE 241 CO 0.00 0.21 0.52 0.00 0.00 0.00 0.00 178.15 178.88 2c91 h ALA 242 N 1.11 1.54 -0.51 1.87 0.00 -1.03 -0.56 119.26 121.68 2c91 h ALA 242 Ca 0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2c91 h ALA 242 Cb 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2c91 h ALA 242 CO -0.03 0.37 0.23 1.25 0.00 0.00 0.00 179.25 181.07 2c91 h LEU 243 N 0.95 0.29 -0.33 0.00 7.12 -1.13 -1.44 115.31 120.76 2c91 h LEU 243 Ca 0.32 0.04 -0.17 0.00 0.13 0.00 0.00 57.88 58.21 2c91 h LEU 243 Cb 0.08 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 2c91 h LEU 243 CO -0.10 0.20 -0.44 0.58 -0.13 0.00 0.00 178.44 178.55 2c91 h VAL 244 N 0.44 1.28 -0.87 1.05 2.07 -0.99 -2.00 116.25 117.23 2c91 h VAL 244 Ca 0.24 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2c91 h VAL 244 Cb 0.20 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2c91 h VAL 244 CO -0.20 0.53 0.53 -0.33 0.02 0.00 0.00 177.57 178.12 2c91 h GLU 245 N 0.68 1.17 -0.43 1.57 4.39 -0.94 -0.32 114.58 120.71 2c91 h GLU 245 Ca 0.04 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2c91 h GLU 245 Cb 1.04 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2c91 h GLU 245 CO 0.10 0.81 0.09 -0.22 -1.16 0.00 0.00 179.01 178.63 2c91 h LYS 246 N 1.19 0.70 -0.65 2.33 3.64 -1.18 -2.01 116.57 120.59 2c91 h LYS 246 Ca 0.31 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2c91 h LYS 246 Cb -0.07 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2c91 h LYS 246 CO -0.06 0.72 0.39 0.00 -2.27 0.00 0.00 179.45 178.23 2c91 h ALA 247 N 0.95 1.46 -0.51 5.00 0.00 -0.87 -1.24 119.26 124.04 2c91 h ALA 247 Ca 0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2c91 h ALA 247 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2c91 h ALA 247 CO 0.01 0.47 -0.13 -0.07 0.00 0.00 0.00 179.25 179.53 2c91 h LEU 248 N 0.89 0.97 -0.09 0.00 3.38 -0.70 -0.65 115.31 119.12 2c91 h LEU 248 Ca 0.23 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2c91 h LEU 248 Cb -0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 2c91 h LEU 248 CO -0.04 1.10 -0.04 -0.61 0.09 0.00 0.00 178.44 178.93 2c91 h GLN 249 N 0.86 0.19 -0.41 1.13 5.75 -1.04 -1.51 115.11 120.08 2c91 h GLN 249 Ca 0.13 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2c91 h GLN 249 Cb 0.68 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 2c91 h GLN 249 CO 0.05 0.55 0.25 1.15 -2.65 0.00 0.00 178.83 178.18 2c91 h THR 250 N -0.18 1.13 -0.10 2.39 2.02 -1.26 0.31 112.91 117.21 2c91 h THR 250 Ca 0.02 -0.28 -0.23 0.00 0.77 0.00 0.00 66.41 66.69 2c91 h THR 250 Cb 0.50 0.58 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2c91 h THR 250 CO 0.01 0.13 -0.86 0.74 0.37 0.00 0.00 175.52 175.91 2c91 h THR 251 N 0.54 1.29 0.00 3.16 2.02 -1.13 -3.38 112.91 115.40 2c91 h THR 251 Ca 0.15 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2c91 h THR 251 Cb -0.01 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2c91 h THR 251 CO -0.03 0.65 -0.74 -1.22 0.37 0.00 0.00 175.52 174.55 2c91 n TYR 252 N -3.90 0.00 -1.64 3.16 4.01 -0.57 -5.08 117.16 113.14 2c91 n TYR 252 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2c91 n TYR 252 Cb 0.79 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 2c91 n TYR 252 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c91 n GLY 253 N 1.82 3.31 0.28 2.72 0.00 0.10 -2.19 105.19 111.22 2c91 n GLY 253 Ca -0.00 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.98 2c91 n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c91 h THR 254 N 0.00 0.19 -0.13 2.61 1.03 -1.94 -1.70 112.91 112.98 2c91 h THR 254 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 2c91 h THR 254 Cb 0.00 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 2c91 h THR 254 CO 0.00 0.06 0.00 0.59 -0.01 0.00 0.00 175.52 176.16 2c91 n ASN 255 N -3.24 1.29 -4.73 0.00 3.02 -0.93 -4.96 115.26 105.71 2c91 n ASN 255 Ca -0.01 -2.08 -0.42 0.00 -0.03 0.00 0.00 54.58 52.05 2c91 n ASN 255 Cb 0.27 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 2c91 n ASN 255 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c91 s ALA 256 N -1.61 3.62 0.71 5.41 0.00 -0.64 -4.96 121.76 124.29 2c91 s ALA 256 Ca 0.10 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 2c91 s ALA 256 Cb 0.06 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.67 2c91 s ALA 256 CO 0.05 -0.65 1.19 -1.25 0.00 0.00 0.00 175.76 175.10 2c91 s PRO 257 N 0.43 2.30 0.58 0.00 0.04 -1.26 -5.00 135.00 132.10 2c91 s PRO 257 Ca 0.62 1.69 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 2c91 s PRO 257 Cb -0.39 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2c91 s PRO 257 CO 0.36 -1.69 1.28 1.03 0.04 0.00 0.00 177.00 178.01 2c91 s ARG 258 N -3.92 2.98 0.24 4.56 0.52 -1.26 -4.80 118.95 117.27 2c91 s ARG 258 Ca 0.73 2.03 -0.05 0.00 -0.52 0.00 0.00 55.73 57.92 2c91 s ARG 258 Cb -0.27 -2.06 0.43 0.00 0.52 0.00 0.00 34.95 33.57 2c91 s ARG 258 CO 0.44 -1.25 1.73 1.98 0.02 0.00 0.00 175.30 178.21 2c91 h MET 259 N 1.10 0.42 -0.46 3.54 -1.53 -1.86 0.36 114.93 116.49 2c91 h MET 259 Ca -0.51 -0.03 0.09 0.00 -3.44 0.00 0.00 59.70 55.82 2c91 h MET 259 Cb 1.31 -0.09 -0.08 0.00 -0.55 0.00 0.00 31.60 32.18 2c91 h MET 259 CO 0.56 0.28 -0.04 1.15 0.14 0.00 0.00 176.91 179.00 2c91 h THR 260 N 0.43 0.61 -0.17 -0.77 2.02 -1.68 -0.07 112.91 113.28 2c91 h THR 260 Ca 0.40 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 67.39 2c91 h THR 260 Cb 0.60 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2c91 h THR 260 CO -0.40 0.01 -0.58 -1.28 0.37 0.00 0.00 175.52 173.65 2c91 h SER 261 N 0.07 0.60 -0.27 4.18 0.87 -1.36 -2.34 113.55 115.30 2c91 h SER 261 Ca 0.23 -0.33 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2c91 h SER 261 Cb 0.34 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2c91 h SER 261 CO -0.41 1.05 0.16 0.00 -0.53 0.00 0.00 176.83 177.09 2c91 h ALA 262 N 0.96 0.34 -0.58 6.23 0.00 -0.52 -1.52 119.26 124.17 2c91 h ALA 262 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2c91 h ALA 262 Cb 1.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2c91 h ALA 262 CO 0.11 -0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.51 2c91 h ALA 263 N 1.12 0.74 -0.41 0.00 0.00 -0.93 0.02 119.26 119.80 2c91 h ALA 263 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2c91 h ALA 263 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2c91 h ALA 263 CO -0.05 0.14 -0.23 -0.07 0.00 0.00 0.00 179.25 179.04 2c91 h LEU 264 N 0.75 0.91 -1.29 0.00 3.38 -1.37 -3.15 115.31 114.55 2c91 h LEU 264 Ca 0.22 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2c91 h LEU 264 Cb -0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2c91 h LEU 264 CO -0.07 1.13 0.08 0.03 0.09 0.00 0.00 178.44 179.70 2c91 h ARG 265 N 0.70 0.57 -0.45 1.13 3.08 -0.97 -1.95 114.38 116.50 2c91 h ARG 265 Ca 0.09 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.13 2c91 h ARG 265 Cb 0.79 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 2c91 h ARG 265 CO 0.07 0.53 -0.08 2.35 -1.07 0.00 0.00 179.97 181.77 2c91 h TRP 266 N 0.56 -0.18 -0.12 3.04 7.01 -0.99 -0.26 115.95 125.01 2c91 h TRP 266 Ca 0.13 0.04 0.03 0.00 2.11 0.00 0.00 58.89 61.19 2c91 h TRP 266 Cb 0.23 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.41 2c91 h TRP 266 CO 0.01 -0.17 -0.05 0.52 -2.79 0.00 0.00 178.44 175.96 2c91 h MET 267 N 0.03 -0.04 0.00 2.65 2.86 -1.33 0.47 114.93 119.57 2c91 h MET 267 Ca 0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 2c91 h MET 267 Cb 0.33 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2c91 h MET 267 CO -0.44 -0.02 -0.23 1.88 1.06 0.00 0.00 176.91 179.16 2c91 h TYR 268 N -0.04 0.00 0.00 -0.22 -1.99 -1.11 -3.35 116.97 110.27 2c91 h TYR 268 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2c91 h TYR 268 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 2c91 h TYR 268 CO -0.18 0.23 -0.93 0.72 -0.00 0.00 0.00 178.16 178.00 2c91 n HIS 269 N -3.23 0.00 -0.42 4.88 8.25 -0.14 -4.41 115.22 120.15 2c91 n HIS 269 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2c91 n HIS 269 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2c91 n HIS 269 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2c91 n HIS 270 N -1.64 0.00 -2.78 4.41 8.25 0.15 -5.04 115.22 118.57 2c91 n HIS 270 Ca 0.00 -0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 57.16 2c91 n HIS 270 Cb 0.23 -0.01 0.08 0.00 1.12 0.00 0.00 29.99 31.41 2c91 n HIS 270 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2c91 n SER 271 N -0.12 1.48 -0.55 0.41 3.41 -0.41 -4.95 113.62 112.90 2c91 n SER 271 Ca 0.00 -2.15 0.09 0.00 -0.26 0.00 0.00 58.87 56.55 2c91 n SER 271 Cb 0.21 -0.48 0.33 0.00 -0.26 0.00 0.00 64.21 64.01 2c91 n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c91 n GLN 272 N -2.38 1.72 -1.92 4.33 6.02 -1.26 -4.89 117.38 118.99 2c91 n GLN 272 Ca 0.14 -1.09 -0.41 0.00 -0.01 0.00 0.00 57.00 55.64 2c91 n GLN 272 Cb 0.52 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.41 2c91 n GLN 272 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2c91 s LEU 273 N -1.43 4.37 -0.24 1.08 1.43 -1.26 -5.00 118.68 117.62 2c91 s LEU 273 Ca 0.30 2.86 0.02 0.00 -1.03 0.00 0.00 54.13 56.28 2c91 s LEU 273 Cb 0.16 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.79 2c91 s LEU 273 CO 0.23 -0.76 -0.11 -1.10 0.23 0.00 0.00 176.35 174.85 2c91 s GLN 274 N -1.33 2.19 0.43 1.70 -0.21 -1.26 -4.84 119.66 116.34 2c91 s GLN 274 Ca 0.55 -1.20 0.10 0.00 0.02 0.00 0.00 55.36 54.83 2c91 s GLN 274 Cb -0.44 -2.77 0.97 0.00 1.00 0.00 0.00 33.01 31.77 2c91 s GLN 274 CO 0.53 -0.53 2.05 0.78 -2.12 0.00 0.00 175.29 176.01 2c91 h GLY 275 N 7.83 0.48 2.00 3.09 0.00 -1.74 -1.88 103.07 112.85 2c91 h GLY 275 Ca -0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2c91 h GLY 275 CO 0.47 0.15 -0.06 -0.91 0.00 0.00 0.00 176.54 176.19 2c91 h THR 276 N 0.43 0.57 -0.01 4.70 1.35 -1.86 -1.64 112.91 116.45 2c91 h THR 276 Ca 0.16 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2c91 h THR 276 Cb 0.11 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2c91 h THR 276 CO -0.04 0.06 -0.08 0.54 -0.25 0.00 0.00 175.52 175.75 2c91 n ARG 277 N -3.77 1.16 -0.54 4.72 1.74 -0.73 -4.91 116.66 114.32 2c91 n ARG 277 Ca -0.02 -0.55 0.00 0.00 -0.77 0.00 0.00 57.85 56.51 2c91 n ARG 277 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2c91 n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c91 n GLY 278 N 1.21 0.74 3.71 -0.13 0.00 -0.62 -4.58 105.19 105.53 2c91 n GLY 278 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2c91 n GLY 278 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c91 s ASP 279 N -2.32 4.07 0.10 1.61 1.01 -1.03 -4.69 116.67 115.43 2c91 s ASP 279 Ca 0.00 2.48 -0.11 0.00 0.71 0.00 0.00 52.55 55.64 2c91 s ASP 279 Cb 0.00 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.33 2c91 s ASP 279 CO 0.00 -2.35 0.25 0.00 0.21 0.00 0.00 175.17 173.27 2c91 s ALA 280 N -1.80 -0.39 -0.14 5.23 0.00 -0.30 -1.61 121.76 122.76 2c91 s ALA 280 Ca 0.78 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 2c91 s ALA 280 Cb -0.33 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 2c91 s ALA 280 CO 0.45 -0.55 -0.03 0.08 0.00 0.00 0.00 175.76 175.72 2c91 s VAL 281 N -3.85 4.01 -0.44 0.00 1.01 0.09 -1.01 120.40 120.21 2c91 s VAL 281 Ca 0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 2c91 s VAL 281 Cb 0.04 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2c91 s VAL 281 CO -0.11 0.52 0.45 -0.63 0.00 0.00 0.00 175.10 175.33 2c91 s ILE 282 N 0.06 5.09 0.46 2.22 1.01 0.26 -0.93 121.20 129.36 2c91 s ILE 282 Ca 0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 2c91 s ILE 282 Cb -0.13 -4.08 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 2c91 s ILE 282 CO 0.02 -0.49 1.18 -0.76 0.00 0.00 0.00 174.94 174.90 2c91 s LEU 283 N 2.11 4.02 0.15 2.97 1.43 0.01 -4.52 118.68 124.87 2c91 s LEU 283 Ca 0.11 2.35 0.09 0.00 -1.03 0.00 0.00 54.13 55.65 2c91 s LEU 283 Cb -0.18 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 2c91 s LEU 283 CO 0.12 -0.94 -0.20 -0.83 0.23 0.00 0.00 176.35 174.73 2c91 s GLY 284 N -1.29 1.42 -0.05 -3.19 0.00 -1.26 -0.87 107.32 102.08 2c91 s GLY 284 Ca 0.63 -1.46 -0.29 0.00 0.00 0.00 0.00 44.72 43.60 2c91 s GLY 284 CO 0.36 -1.50 0.84 -3.16 0.00 0.00 0.00 173.10 169.65 2c91 s MET 285 N -2.55 0.86 0.00 2.90 0.23 -1.26 -4.79 119.30 114.68 2c91 s MET 285 Ca 0.14 -0.02 0.03 0.00 -1.03 0.00 0.00 55.69 54.81 2c91 s MET 285 Cb -0.07 0.40 0.08 0.00 -1.53 0.00 0.00 34.83 33.70 2c91 s MET 285 CO 0.07 -0.31 1.01 -1.13 -2.03 0.00 0.00 175.02 172.62 2c91 n SER 286 N 0.37 2.12 -3.63 -1.18 3.41 -1.26 -4.56 113.62 108.90 2c91 n SER 286 Ca -0.13 -1.89 -0.10 0.00 -0.26 0.00 0.00 58.87 56.49 2c91 n SER 286 Cb 0.60 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 2c91 n SER 286 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2c91 s SER 287 N -0.90 -0.26 0.17 4.04 1.04 -1.26 -4.48 113.70 112.04 2c91 s SER 287 Ca 0.06 -0.31 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 2c91 s SER 287 Cb 0.03 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.71 2c91 s SER 287 CO 0.04 -0.88 1.79 0.25 0.98 0.00 0.00 173.24 175.43 2c91 h LEU 288 N 2.32 0.66 -0.57 2.42 5.85 -1.97 -2.32 115.31 121.70 2c91 h LEU 288 Ca -0.34 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.33 2c91 h LEU 288 Cb 1.26 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2c91 h LEU 288 CO 0.45 0.54 0.37 -0.08 -0.34 0.00 0.00 178.44 179.38 2c91 h GLU 289 N 0.72 0.72 -0.55 1.25 4.81 -1.99 -0.50 114.58 119.05 2c91 h GLU 289 Ca 0.19 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2c91 h GLU 289 Cb 0.01 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2c91 h GLU 289 CO -0.03 0.48 0.34 1.96 -0.73 0.00 0.00 179.01 181.03 2c91 h GLN 290 N 0.74 0.67 -0.67 1.92 4.20 -1.95 -2.33 115.11 117.69 2c91 h GLN 290 Ca 0.22 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2c91 h GLN 290 Cb -0.04 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2c91 h GLN 290 CO -0.07 0.44 0.33 1.25 -0.67 0.00 0.00 178.83 180.12 2c91 h LEU 291 N 0.69 0.87 -0.51 1.46 5.85 -0.80 -0.75 115.31 122.12 2c91 h LEU 291 Ca 0.21 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2c91 h LEU 291 Cb -0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2c91 h LEU 291 CO -0.08 0.75 0.18 -0.33 -0.34 0.00 0.00 178.44 178.62 2c91 h GLU 292 N 0.93 0.78 -0.38 1.25 4.39 -0.94 0.47 114.58 121.09 2c91 h GLU 292 Ca 0.23 -0.16 0.07 0.00 0.34 0.00 0.00 59.36 59.84 2c91 h GLU 292 Cb 0.10 -0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 28.57 2c91 h GLU 292 CO -0.03 0.71 -0.01 1.96 -1.16 0.00 0.00 179.01 180.48 2c91 h GLN 293 N 0.68 0.09 -0.35 2.33 4.20 -1.24 -1.80 115.11 119.03 2c91 h GLN 293 Ca 0.17 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 2c91 h GLN 293 Cb 0.24 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2c91 h GLN 293 CO -0.01 0.06 0.01 -0.91 -0.67 0.00 0.00 178.83 177.31 2c91 h ASN 294 N 0.10 0.60 -1.00 1.46 2.35 -0.09 -1.99 115.58 117.00 2c91 h ASN 294 Ca 0.18 -0.30 0.10 0.00 -0.55 0.00 0.00 56.30 55.74 2c91 h ASN 294 Cb 0.26 -0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.39 2c91 h ASN 294 CO -0.31 0.75 0.63 -0.07 -1.65 0.00 0.00 177.43 176.78 2c91 h LEU 295 N 0.43 0.95 -0.39 1.61 3.38 0.01 -2.20 115.31 119.09 2c91 h LEU 295 Ca 0.10 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2c91 h LEU 295 Cb 0.44 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2c91 h LEU 295 CO 0.02 0.54 0.03 0.00 0.09 0.00 0.00 178.44 179.12 2c91 h ALA 296 N 1.52 0.52 -0.66 1.53 0.00 -1.06 -2.93 119.26 118.19 2c91 h ALA 296 Ca 0.47 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2c91 h ALA 296 Cb 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2c91 h ALA 296 CO -0.23 0.26 0.43 0.00 0.00 0.00 0.00 179.25 179.71 2c91 h ALA 297 N 0.90 1.71 0.00 0.00 0.00 -0.79 -1.79 119.26 119.29 2c91 h ALA 297 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2c91 h ALA 297 Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2c91 h ALA 297 CO 0.01 0.20 -0.05 1.79 0.00 0.00 0.00 179.25 181.21 2c91 h THR 298 N 0.71 0.18 0.00 0.00 1.35 -1.22 -1.72 112.91 112.21 2c91 h THR 298 Ca 0.27 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2c91 h THR 298 Cb 0.18 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2c91 h THR 298 CO -0.08 0.05 -0.76 -0.62 -0.25 0.00 0.00 175.52 173.85 2c91 n GLU 299 N -3.24 0.04 -1.18 4.72 1.02 -0.69 -4.95 120.64 116.36 2c91 n GLU 299 Ca -0.01 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.84 2c91 n GLU 299 Cb 0.24 -1.51 0.17 0.00 -0.02 0.00 0.00 31.44 30.33 2c91 n GLU 299 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2c91 s GLU 300 N -3.03 0.46 0.00 3.49 2.02 -0.65 -5.06 118.70 115.93 2c91 s GLU 300 Ca 0.09 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.59 2c91 s GLU 300 Cb 0.17 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2c91 s GLU 300 CO 0.78 -2.71 0.00 0.41 0.02 0.00 0.00 175.26 173.76 2c91 n GLY 301 N -1.13 1.11 3.55 -1.39 0.00 -1.26 -5.03 105.19 101.04 2c91 n GLY 301 Ca 0.05 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 2c91 n GLY 301 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c91 n PRO 302 N -0.90 -0.16 -3.17 1.61 -0.02 -1.26 -4.94 135.00 126.16 2c91 n PRO 302 Ca 0.00 0.01 -0.25 0.00 -2.02 0.00 0.00 63.50 61.25 2c91 n PRO 302 Cb 0.00 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.35 2c91 n PRO 302 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c91 s LEU 303 N -3.49 3.89 0.46 2.45 1.43 -1.26 -5.07 118.68 117.08 2c91 s LEU 303 Ca 0.64 0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 2c91 s LEU 303 Cb -0.25 -3.43 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 2c91 s LEU 303 CO 0.60 -0.40 1.24 -1.61 0.23 0.00 0.00 176.35 176.41 2c91 s GLU 304 N -4.44 3.70 0.29 1.70 0.41 -1.26 -4.81 118.70 114.29 2c91 s GLU 304 Ca 0.42 1.98 0.01 0.00 -0.41 0.00 0.00 54.97 56.98 2c91 s GLU 304 Cb -0.10 -2.49 0.69 0.00 -1.78 0.00 0.00 34.13 30.46 2c91 s GLU 304 CO 0.38 -0.66 1.64 -1.35 -0.49 0.00 0.00 175.26 174.79 2c91 h PRO 305 N 2.13 0.19 -0.73 0.39 0.11 -1.99 -1.10 132.00 131.00 2c91 h PRO 305 Ca -0.50 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2c91 h PRO 305 Cb 1.26 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2c91 h PRO 305 CO 0.60 0.12 0.48 0.00 -0.21 0.00 0.00 178.00 179.00 2c91 h ALA 306 N 1.78 1.63 0.01 -0.75 0.00 -1.97 0.16 119.26 120.12 2c91 h ALA 306 Ca 0.54 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.18 2c91 h ALA 306 Cb 1.09 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 18.68 2c91 h ALA 306 CO -0.66 0.27 -0.98 0.28 0.00 0.00 0.00 179.25 178.16 2c91 h VAL 307 N 0.83 1.31 -0.66 0.00 2.07 -1.52 -1.77 116.25 116.49 2c91 h VAL 307 Ca 0.30 -2.23 0.02 0.00 0.82 0.00 0.00 66.70 65.61 2c91 h VAL 307 Cb 0.15 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 2c91 h VAL 307 CO -0.09 0.68 0.42 0.58 0.02 0.00 0.00 177.57 179.18 2c91 h VAL 308 N 0.29 1.13 -0.76 2.57 2.07 -1.01 -0.60 116.25 119.94 2c91 h VAL 308 Ca -0.13 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.12 2c91 h VAL 308 Cb 1.65 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2c91 h VAL 308 CO 0.19 0.16 0.49 -0.33 0.02 0.00 0.00 177.57 178.10 2c91 h GLU 309 N 0.85 0.97 -0.75 1.57 4.39 -0.65 -2.00 114.58 118.96 2c91 h GLU 309 Ca 0.25 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 2c91 h GLU 309 Cb -0.04 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.35 2c91 h GLU 309 CO -0.08 0.64 0.33 0.00 -1.16 0.00 0.00 179.01 178.74 2c91 h ALA 310 N 1.29 1.17 -0.41 3.43 0.00 -0.61 -0.38 119.26 123.75 2c91 h ALA 310 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2c91 h ALA 310 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2c91 h ALA 310 CO -0.08 0.61 0.13 0.74 0.00 0.00 0.00 179.25 180.66 2c91 h PHE 311 N 1.07 0.59 -0.34 0.00 0.04 -0.57 -0.61 116.94 117.12 2c91 h PHE 311 Ca 0.26 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.89 2c91 h PHE 311 Cb 0.15 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2c91 h PHE 311 CO 0.01 0.49 -0.20 -0.44 -0.60 0.00 0.00 178.31 177.58 2c91 h ASP 312 N 0.58 0.77 -0.89 2.17 3.32 -0.58 -2.03 116.42 119.75 2c91 h ASP 312 Ca 0.14 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.80 2c91 h ASP 312 Cb 0.18 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 2c91 h ASP 312 CO -0.01 1.02 0.59 1.56 -1.72 0.00 0.00 179.24 180.68 2c91 h GLN 313 N 0.52 1.11 -0.35 3.56 4.20 -0.92 -0.91 115.11 122.33 2c91 h GLN 313 Ca 0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2c91 h GLN 313 Cb 0.74 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2c91 h GLN 313 CO 0.06 0.73 0.08 0.00 -0.67 0.00 0.00 178.83 179.03 2c91 h ALA 314 N 1.47 0.46 -0.53 3.87 0.00 -0.86 -2.20 119.26 121.46 2c91 h ALA 314 Ca 0.35 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2c91 h ALA 314 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2c91 h ALA 314 CO -0.10 0.13 0.35 2.35 0.00 0.00 0.00 179.25 181.98 2c91 h TRP 315 N 0.41 0.66 -0.27 0.00 -0.00 -1.16 -2.83 115.95 112.75 2c91 h TRP 315 Ca 0.11 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 59.09 2c91 h TRP 315 Cb 0.31 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.24 2c91 h TRP 315 CO 0.02 0.41 0.19 -0.91 -0.00 0.00 0.00 178.44 178.15 2c91 h ASN 316 N 0.71 0.00 0.39 2.65 2.35 -0.75 0.43 115.58 121.36 2c91 h ASN 316 Ca 0.20 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 2c91 h ASN 316 Cb -0.06 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2c91 h ASN 316 CO -0.05 0.00 -0.57 0.24 -1.65 0.00 0.00 177.43 175.40 2c91 h MET 317 N 0.00 0.18 -0.00 0.81 2.86 -1.16 -3.33 114.93 114.30 2c91 h MET 317 Ca 0.13 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2c91 h MET 317 Cb 0.51 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2c91 h MET 317 CO -0.00 0.70 -0.66 1.33 1.06 0.00 0.00 176.91 179.34 2c91 n VAL 318 N -3.89 0.00 -0.34 -2.22 0.24 -0.66 -4.71 118.33 106.75 2c91 n VAL 318 Ca -0.02 -0.17 0.07 0.00 -2.04 0.00 0.00 64.34 62.19 2c91 n VAL 318 Cb 0.59 1.00 0.24 0.00 -1.47 0.00 0.00 33.84 34.20 2c91 n VAL 318 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2c91 h ALA 319 N 2.02 1.46 0.00 2.33 0.00 -1.06 0.23 119.26 124.24 2c91 h ALA 319 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2c91 h ALA 319 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2c91 h ALA 319 CO 0.00 0.12 0.00 1.12 0.00 0.00 0.00 179.25 180.49 2c91 h HIS 320 N 0.88 0.00 0.00 0.00 2.07 -1.84 -2.77 115.15 113.49 2c91 h HIS 320 Ca 0.49 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.98 2c91 h HIS 320 Cb 0.56 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.47 2c91 h HIS 320 CO -0.02 0.00 -0.54 -0.85 -3.07 0.00 0.00 177.93 173.44 2c91 n GLU 321 N -2.40 1.21 -1.91 5.12 0.28 0.00 -5.06 120.64 117.88 2c91 n GLU 321 Ca 0.01 -2.91 -0.41 0.00 -0.16 0.00 0.00 57.16 53.68 2c91 n GLU 321 Cb 0.17 -1.28 -0.02 0.00 1.43 0.00 0.00 31.44 31.75 2c91 n GLU 321 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2c91 s PRO 323 N -0.19 2.97 0.05 0.00 0.04 -1.26 -4.98 135.00 131.63 2c91 s PRO 323 Ca 0.62 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2c91 s PRO 323 Cb -0.44 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2c91 s PRO 323 CO 0.43 -1.15 1.15 -0.80 0.04 0.00 0.00 177.00 176.67 2c91 s ASN 324 N -1.99 7.14 0.30 6.66 0.01 -1.26 -4.86 114.94 120.93 2c91 s ASN 324 Ca 0.72 1.94 0.25 0.00 -0.71 0.00 0.00 52.86 55.07 2c91 s ASN 324 Cb -0.25 -2.58 1.04 0.00 0.41 0.00 0.00 41.25 39.88 2c91 s ASN 324 CO 0.34 -0.43 1.75 0.10 -1.51 0.00 0.00 177.10 177.36 2c91 h TYR 325 N 6.81 0.00 -3.22 2.20 -0.00 -1.93 -3.45 116.97 117.38 2c91 h TYR 325 Ca -0.41 0.00 -0.64 0.00 -0.00 0.00 0.00 58.73 57.68 2c91 h TYR 325 Cb 1.21 0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 37.81 2c91 h TYR 325 CO 0.67 0.00 -0.70 -0.59 -0.00 0.00 0.00 178.16 177.54 2c91 s PHE 326 N -3.37 2.80 0.00 0.10 -0.12 -1.26 -4.30 117.98 111.82 2c91 s PHE 326 Ca 0.04 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.78 2c91 s PHE 326 Cb 0.09 -1.41 0.00 0.00 -0.63 0.00 0.00 43.02 41.07 2c91 s PHE 326 CO 0.41 0.48 0.14 0.54 -0.05 0.00 0.00 175.22 176.74