#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp n SER 2 N 0.00 -5.90 -3.19 0.00 7.64 -1.26 -4.76 113.62 106.15 1ulp n SER 2 Ca 0.00 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.36 1ulp n SER 2 Cb 0.00 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ulp n PRO 3 N -2.75 1.66 0.02 1.43 -0.04 -1.26 -4.75 135.00 129.29 1ulp n PRO 3 Ca -0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 3 Cb 0.59 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.07 1ulp n PRO 3 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ulp n ILE 4 N -0.12 0.10 0.00 0.52 -5.35 -1.26 -4.92 119.36 108.33 1ulp n ILE 4 Ca 0.00 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1ulp n ILE 4 Cb 0.00 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1ulp n ILE 4 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ulp n GLY 5 N 1.41 1.09 3.29 3.28 0.00 -1.26 -4.93 105.19 108.08 1ulp n GLY 5 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1ulp n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulp n GLU 6 N 0.00 -1.42 -3.49 1.61 1.02 -1.23 -4.94 120.64 112.18 1ulp n GLU 6 Ca 0.00 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 1ulp n GLU 6 Cb 0.00 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ulp n GLY 7 N -1.70 -0.67 0.00 0.62 0.00 -1.04 -4.89 105.19 97.51 1ulp n GLY 7 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1ulp n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 8 N 4.45 0.00 -1.99 2.61 -2.24 -1.26 -0.22 114.28 115.63 1ulp n THR 8 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1ulp n THR 8 Cb 0.00 -1.47 0.03 0.00 -2.10 0.00 0.00 70.33 66.79 1ulp n THR 8 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ulp n PHE 9 N -1.19 3.06 -0.95 4.78 3.72 -1.26 -4.69 117.46 120.93 1ulp n PHE 9 Ca 0.00 -2.47 -0.13 0.00 -0.05 0.00 0.00 57.45 54.80 1ulp n PHE 9 Cb 0.00 -1.02 -0.04 0.00 -0.94 0.00 0.00 39.48 37.48 1ulp n PHE 9 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ulp n ASP 10 N -0.54 5.88 0.00 4.37 5.68 -1.26 -3.06 116.55 127.62 1ulp n ASP 10 Ca 0.52 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 1ulp n ASP 10 Cb 0.31 -1.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.09 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulp n ASP 11 N 1.29 0.00 -0.85 -1.12 2.03 -1.26 -4.81 116.55 111.83 1ulp n ASP 11 Ca 0.30 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1ulp n ASP 11 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ulp n GLY 12 N 0.00 -3.77 0.00 0.27 0.00 -1.26 -4.56 105.19 95.87 1ulp n GLY 12 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.14 1ulp n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulp n PRO 13 N -1.22 0.79 0.00 1.61 -0.04 -1.26 -4.84 135.00 130.04 1ulp n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ulp n PRO 13 Cb 0.06 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1ulp n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ulp n GLU 14 N -0.81 0.00 0.00 0.54 1.02 -1.26 -1.81 120.64 118.32 1ulp n GLU 14 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1ulp n GLU 14 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ulp n GLY 15 N 0.00 -2.11 3.73 0.62 0.00 -1.26 -5.08 105.19 101.08 1ulp n GLY 15 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ulp n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulp s TRP 16 N 0.00 3.02 0.08 1.61 0.52 -0.75 -4.56 118.94 118.86 1ulp s TRP 16 Ca 0.00 0.75 0.03 0.00 0.02 0.00 0.00 56.10 56.91 1ulp s TRP 16 Cb 0.00 -3.91 -0.03 0.00 -1.15 0.00 0.00 33.47 28.38 1ulp s TRP 16 CO 0.00 -3.22 -0.10 0.14 0.02 0.00 0.00 176.95 173.79 1ulp s VAL 17 N 0.70 0.87 -0.00 4.03 -7.23 -0.94 -4.90 120.40 112.92 1ulp s VAL 17 Ca 0.66 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1ulp s VAL 17 Cb -0.44 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1ulp s VAL 17 CO 0.36 -0.50 -0.01 0.00 -0.31 0.00 0.00 175.10 174.64 1ulp s ALA 18 N -2.16 0.10 0.04 1.32 0.00 -1.26 -0.80 121.76 118.99 1ulp s ALA 18 Ca 0.02 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.03 1ulp s ALA 18 Cb -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1ulp s ALA 18 CO 0.00 0.02 -0.24 1.52 0.00 0.00 0.00 175.76 177.05 1ulp s TYR 19 N 0.04 2.15 0.00 0.00 -0.85 -0.65 -4.69 117.35 113.35 1ulp s TYR 19 Ca -0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1ulp s TYR 19 Cb -0.01 -1.30 0.00 0.00 0.38 0.00 0.00 41.96 41.03 1ulp s TYR 19 CO -0.00 0.10 0.00 0.41 -1.52 0.00 0.00 175.55 174.54 1ulp n GLY 20 N 1.87 0.99 2.08 5.49 0.00 -1.26 -2.75 105.19 111.62 1ulp n GLY 20 Ca -0.17 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 1ulp n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 21 N 0.00 0.00 -3.81 2.61 -2.24 -1.26 -4.10 114.28 105.48 1ulp n THR 21 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1ulp n THR 21 Cb 0.00 -1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 67.02 1ulp n THR 21 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ulp s ASP 22 N -1.92 5.00 0.00 3.42 1.47 -1.14 -4.61 116.67 118.89 1ulp s ASP 22 Ca 0.00 -2.67 0.00 0.00 1.18 0.00 0.00 52.55 51.06 1ulp s ASP 22 Cb 0.00 -1.78 0.00 0.00 -0.34 0.00 0.00 42.92 40.80 1ulp s ASP 22 CO 0.00 -0.37 0.00 0.61 0.68 0.00 0.00 175.17 176.09 1ulp n GLY 23 N 3.68 -3.26 3.78 2.12 0.00 -1.26 -4.61 105.19 105.65 1ulp n GLY 23 Ca 0.05 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1ulp n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulp s PRO 24 N 0.00 4.02 -0.62 1.61 0.04 -1.26 -4.75 135.00 134.04 1ulp s PRO 24 Ca 0.00 1.64 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 1ulp s PRO 24 Cb 0.00 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1ulp s PRO 24 CO 0.00 -0.29 1.45 -0.51 0.04 0.00 0.00 177.00 177.68 1ulp s LEU 25 N -2.74 3.32 -0.45 -3.56 1.43 -1.26 -4.81 118.68 110.60 1ulp s LEU 25 Ca 0.59 0.09 -0.41 0.00 -1.03 0.00 0.00 54.13 53.37 1ulp s LEU 25 Cb -0.25 -2.83 -0.17 0.00 0.03 0.00 0.00 46.19 42.97 1ulp s LEU 25 CO 0.31 -1.85 2.14 -0.67 0.23 0.00 0.00 176.35 176.52 1ulp n ASP 26 N 10.02 1.21 0.04 2.29 2.03 -0.99 -4.63 116.55 126.51 1ulp n ASP 26 Ca 0.11 0.61 -0.00 0.00 0.52 0.00 0.00 54.79 56.02 1ulp n ASP 26 Cb 0.50 -1.02 -0.00 0.00 -0.72 0.00 0.00 41.12 39.88 1ulp n ASP 26 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ulp n THR 27 N 6.67 1.10 -4.11 5.18 -2.24 -1.22 -1.30 114.28 118.36 1ulp n THR 27 Ca 0.50 0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 62.29 1ulp n THR 27 Cb 0.05 -1.54 -0.04 0.00 -2.10 0.00 0.00 70.33 66.69 1ulp n THR 27 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ulp n SER 28 N -3.41 -2.58 -3.23 3.42 7.64 -1.26 -2.40 113.62 111.80 1ulp n SER 28 Ca -0.00 -0.91 -0.26 0.00 1.01 0.00 0.00 58.87 58.71 1ulp n SER 28 Cb 0.01 -2.18 0.03 0.00 -1.01 0.00 0.00 64.21 61.07 1ulp n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ulp n THR 29 N -4.04 -7.03 0.00 0.44 -2.24 -1.26 -4.80 114.28 95.35 1ulp n THR 29 Ca 0.08 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1ulp n THR 29 Cb 0.48 -5.17 0.00 0.00 -2.10 0.00 0.00 70.33 63.54 1ulp n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ulp n GLY 30 N -0.23 -1.67 3.26 3.38 0.00 -1.01 -4.85 105.19 104.06 1ulp n GLY 30 Ca 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N 0.00 -0.79 -0.64 4.61 0.00 -1.20 -4.65 121.76 119.08 1ulp s ALA 31 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.11 1ulp s ALA 31 Cb 0.00 0.16 0.17 0.00 0.00 0.00 0.00 23.12 23.45 1ulp s ALA 31 CO 0.00 -0.32 0.53 -1.17 0.00 0.00 0.00 175.76 174.80 1ulp s LEU 32 N -1.58 6.03 -0.33 0.00 2.96 -0.85 -3.43 118.68 121.47 1ulp s LEU 32 Ca -0.10 -2.38 -0.17 0.00 -0.22 0.00 0.00 54.13 51.25 1ulp s LEU 32 Cb -0.03 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1ulp s LEU 32 CO 0.02 -0.60 0.46 0.00 -1.32 0.00 0.00 176.35 174.91 1ulp s VAL 34 N 2.26 4.85 -0.85 0.00 -7.23 -0.94 -2.36 120.40 116.13 1ulp s VAL 34 Ca 0.17 0.64 -0.20 0.00 -1.81 0.00 0.00 61.98 60.78 1ulp s VAL 34 Cb -0.16 -3.63 0.11 0.00 0.56 0.00 0.00 36.38 33.26 1ulp s VAL 34 CO 0.12 -0.07 1.08 0.00 -0.31 0.00 0.00 175.10 175.93 1ulp s ALA 35 N -1.82 3.28 -0.20 1.32 0.00 -1.26 -2.95 121.76 120.12 1ulp s ALA 35 Ca 0.48 -2.49 -0.20 0.00 0.00 0.00 0.00 51.96 49.75 1ulp s ALA 35 Cb -0.11 -4.00 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 1ulp s ALA 35 CO 0.20 -2.93 0.60 0.08 0.00 0.00 0.00 175.76 173.71 1ulp s VAL 36 N 3.14 5.04 1.33 0.00 1.01 0.17 -2.87 120.40 128.22 1ulp s VAL 36 Ca 0.30 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 63.18 1ulp s VAL 36 Cb -0.08 -3.92 0.33 0.00 0.00 0.00 0.00 36.38 32.71 1ulp s VAL 36 CO -0.04 0.12 1.03 -2.16 0.00 0.00 0.00 175.10 174.05 1ulp s PRO 37 N 1.87 -2.22 0.09 2.72 0.04 -1.26 -1.09 135.00 135.16 1ulp s PRO 37 Ca 0.27 -0.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.95 1ulp s PRO 37 Cb -0.16 -1.48 -0.09 0.00 0.04 0.00 0.00 34.50 32.81 1ulp s PRO 37 CO 0.10 -4.37 1.72 0.00 0.04 0.00 0.00 177.00 174.50 1ulp s ALA 38 N -2.68 3.72 0.00 8.56 0.00 -1.26 -2.72 121.76 127.38 1ulp s ALA 38 Ca 0.70 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1ulp s ALA 38 Cb -0.10 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1ulp s ALA 38 CO 0.56 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1ulp n GLY 39 N 4.09 -0.37 3.52 0.00 0.00 0.73 -1.94 105.19 111.21 1ulp n GLY 39 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1ulp n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ulp n SER 40 N -0.97 -0.43 -4.58 1.61 2.88 -1.10 -3.45 113.62 107.58 1ulp n SER 40 Ca 0.00 -0.56 -0.42 0.00 -1.33 0.00 0.00 58.87 56.56 1ulp n SER 40 Cb 0.37 -0.69 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp s ALA 41 N -3.90 3.44 0.00 -1.46 0.00 -0.82 -1.81 121.76 117.21 1ulp s ALA 41 Ca 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ulp s ALA 41 Cb -0.05 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ulp s ALA 41 CO 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 175.76 174.73 1ulp n GLN 42 N 6.33 0.00 0.00 0.00 10.64 -1.26 -4.90 117.38 128.19 1ulp n GLN 42 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1ulp n GLN 42 Cb 0.48 -2.73 0.00 0.00 -0.86 0.00 0.00 30.24 27.13 1ulp n GLN 42 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 1ulp n TYR 43 N -3.32 0.00 -3.09 2.61 4.19 -1.24 -5.07 117.16 111.24 1ulp n TYR 43 Ca 0.00 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 1ulp n TYR 43 Cb 0.40 0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.25 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ulp n GLY 44 N 0.05 -0.78 3.71 2.98 0.00 -1.23 -4.81 105.19 105.11 1ulp n GLY 44 Ca 0.00 1.23 -0.39 0.00 0.00 0.00 0.00 46.02 46.85 1ulp n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 45 N -2.20 5.07 0.08 1.61 1.01 -1.04 -4.71 120.40 120.21 1ulp s VAL 45 Ca 0.30 1.34 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 1ulp s VAL 45 Cb -0.06 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1ulp s VAL 45 CO 0.81 0.25 0.48 -0.83 0.00 0.00 0.00 175.10 175.80 1ulp s GLY 46 N 0.81 -0.38 -0.15 4.51 0.00 -1.11 0.15 107.32 111.15 1ulp s GLY 46 Ca 0.35 0.38 -0.01 0.00 0.00 0.00 0.00 44.72 45.43 1ulp s GLY 46 CO 0.16 0.09 -0.10 0.14 0.00 0.00 0.00 173.10 173.39 1ulp s VAL 47 N -2.89 3.24 -0.04 1.40 1.01 -0.25 -1.64 120.40 121.23 1ulp s VAL 47 Ca -0.03 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ulp s VAL 47 Cb -0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1ulp s VAL 47 CO -0.05 0.51 -0.25 0.68 0.00 0.00 0.00 175.10 175.98 1ulp s VAL 48 N 0.52 2.08 -0.34 2.92 -7.23 0.02 -1.73 120.40 116.63 1ulp s VAL 48 Ca -0.07 -1.07 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1ulp s VAL 48 Cb -0.15 -1.74 0.11 0.00 0.56 0.00 0.00 36.38 35.16 1ulp s VAL 48 CO 0.04 0.57 0.13 -0.22 -0.31 0.00 0.00 175.10 175.31 1ulp s LEU 49 N -0.33 2.40 0.42 1.32 2.96 -1.17 -2.21 118.68 122.06 1ulp s LEU 49 Ca 0.02 -1.90 -0.23 0.00 -0.22 0.00 0.00 54.13 51.80 1ulp s LEU 49 Cb -0.12 -0.92 -0.09 0.00 0.50 0.00 0.00 46.19 45.56 1ulp s LEU 49 CO 0.02 -0.38 1.04 0.20 -1.32 0.00 0.00 176.35 175.91 1ulp s ASN 50 N 1.29 6.68 0.00 3.68 0.01 -1.26 -2.82 114.94 122.52 1ulp s ASN 50 Ca 0.12 1.99 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 1ulp s ASN 50 Cb -0.19 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1ulp s ASN 50 CO -0.18 -0.55 0.00 0.61 -1.51 0.00 0.00 177.10 175.47 1ulp n GLY 51 N 0.16 0.29 3.46 0.66 0.00 -1.22 -4.94 105.19 103.60 1ulp n GLY 51 Ca 0.06 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 1ulp n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 52 N 0.00 2.46 -0.58 1.61 1.01 -0.97 -4.16 120.40 119.76 1ulp s VAL 52 Ca 0.00 -2.30 0.04 0.00 0.00 0.00 0.00 61.98 59.72 1ulp s VAL 52 Cb 0.00 -2.26 0.17 0.00 0.00 0.00 0.00 36.38 34.29 1ulp s VAL 52 CO 0.00 -0.32 0.42 0.00 0.00 0.00 0.00 175.10 175.20 1ulp s ALA 53 N -2.28 2.81 0.45 5.51 0.00 -1.25 -3.16 121.76 123.83 1ulp s ALA 53 Ca 0.28 -3.24 0.05 0.00 0.00 0.00 0.00 51.96 49.04 1ulp s ALA 53 Cb -0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.08 1ulp s ALA 53 CO 0.14 -2.05 0.09 0.42 0.00 0.00 0.00 175.76 174.36 1ulp s ILE 54 N -0.78 1.82 -0.29 0.00 -1.09 -0.65 -4.72 121.20 115.50 1ulp s ILE 54 Ca 0.27 -1.87 -0.17 0.00 -2.23 0.00 0.00 60.65 56.65 1ulp s ILE 54 Cb -0.03 -2.70 0.13 0.00 -1.58 0.00 0.00 42.46 38.28 1ulp s ILE 54 CO -0.17 0.00 0.92 -0.70 -1.23 0.00 0.00 174.94 173.76 1ulp s GLU 55 N -3.86 0.48 0.00 2.79 2.56 -1.24 -2.45 118.70 116.98 1ulp s GLU 55 Ca 0.29 0.78 0.00 0.00 0.00 0.00 0.00 54.97 56.04 1ulp s GLU 55 Cb 0.05 0.12 0.00 0.00 2.00 0.00 0.00 34.13 36.30 1ulp s GLU 55 CO 0.15 -0.09 0.00 -0.85 -0.56 0.00 0.00 175.26 173.91 1ulp n GLU 56 N 3.61 0.00 -2.86 4.30 0.28 0.53 -3.24 120.64 123.26 1ulp n GLU 56 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.39 1ulp n GLU 56 Cb 0.58 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.43 1ulp n GLU 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 57 N 0.00 1.94 0.46 -1.84 0.00 -1.22 -2.05 107.32 104.61 1ulp s GLY 57 Ca 0.00 -2.85 0.06 0.00 0.00 0.00 0.00 44.72 41.93 1ulp s GLY 57 CO 0.00 2.15 0.21 -1.59 0.00 0.00 0.00 173.10 173.87 1ulp s THR 58 N 2.82 1.95 0.31 0.90 2.01 -0.67 -4.88 115.64 118.08 1ulp s THR 58 Ca 0.38 -1.69 -0.08 0.00 0.31 0.00 0.00 61.69 60.61 1ulp s THR 58 Cb -0.03 -2.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.77 1ulp s THR 58 CO -0.06 0.00 0.63 -0.89 -0.69 0.00 0.00 174.62 173.60 1ulp s THR 59 N -2.69 4.91 0.39 -0.82 2.01 -1.26 0.27 115.64 118.44 1ulp s THR 59 Ca 0.33 0.39 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 1ulp s THR 59 Cb 0.02 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.89 1ulp s THR 59 CO 0.19 -0.31 0.80 -0.31 -0.69 0.00 0.00 174.62 174.30 1ulp s TYR 60 N -2.10 0.14 -0.20 4.92 2.02 -0.16 -3.92 117.35 118.04 1ulp s TYR 60 Ca 0.48 -0.82 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 1ulp s TYR 60 Cb -0.11 0.85 0.10 0.00 -0.40 0.00 0.00 41.96 42.40 1ulp s TYR 60 CO 0.27 -1.57 0.36 0.99 -1.57 0.00 0.00 175.55 174.03 1ulp s THR 61 N -2.20 -0.56 -0.26 -0.71 2.01 -1.21 -1.57 115.64 111.13 1ulp s THR 61 Ca 0.16 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 62.03 1ulp s THR 61 Cb -0.05 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1ulp s THR 61 CO 0.11 -0.02 0.64 -0.22 -0.69 0.00 0.00 174.62 174.45 1ulp s LEU 62 N 2.53 4.07 -0.03 4.42 2.96 -0.46 -4.14 118.68 128.04 1ulp s LEU 62 Ca 0.05 0.69 0.05 0.00 -0.22 0.00 0.00 54.13 54.70 1ulp s LEU 62 Cb -0.14 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 1ulp s LEU 62 CO -0.13 -0.39 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.20 1ulp s ARG 63 N 2.54 1.58 -0.29 1.98 0.52 -1.15 -2.50 118.95 121.62 1ulp s ARG 63 Ca 0.27 -0.61 -0.27 0.00 -0.52 0.00 0.00 55.73 54.60 1ulp s ARG 63 Cb -0.15 -1.45 0.19 0.00 0.52 0.00 0.00 34.95 34.06 1ulp s ARG 63 CO 0.09 0.31 1.40 1.52 0.02 0.00 0.00 175.30 178.64 1ulp s TYR 64 N -0.20 -0.06 -0.36 -0.53 -0.85 -0.59 -2.32 117.35 112.43 1ulp s TYR 64 Ca 0.02 0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.74 1ulp s TYR 64 Cb -0.09 0.48 0.10 0.00 0.38 0.00 0.00 41.96 42.84 1ulp s TYR 64 CO 0.01 -0.04 0.08 0.99 -1.52 0.00 0.00 175.55 175.07 1ulp s THR 65 N -0.35 2.42 0.19 -3.49 2.01 -1.26 0.87 115.64 116.03 1ulp s THR 65 Ca 0.08 -2.36 0.03 0.00 0.31 0.00 0.00 61.69 59.74 1ulp s THR 65 Cb -0.04 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 1ulp s THR 65 CO -0.13 -0.62 0.32 0.00 -0.69 0.00 0.00 174.62 173.50 1ulp s ALA 66 N 0.87 3.95 -0.17 7.40 0.00 -0.77 -3.21 121.76 129.82 1ulp s ALA 66 Ca 0.11 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1ulp s ALA 66 Cb -0.20 -1.78 0.08 0.00 0.00 0.00 0.00 23.12 21.22 1ulp s ALA 66 CO -0.07 0.42 0.37 0.99 0.00 0.00 0.00 175.76 177.47 1ulp s THR 67 N -1.84 -0.48 -0.11 0.00 2.01 -0.77 -2.51 115.64 111.95 1ulp s THR 67 Ca 0.35 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 1ulp s THR 67 Cb -0.10 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1ulp s THR 67 CO 0.29 0.08 -0.06 0.00 -0.69 0.00 0.00 174.62 174.24 1ulp s ALA 68 N 2.35 2.97 -1.09 7.40 0.00 -0.95 -1.94 121.76 130.50 1ulp s ALA 68 Ca -0.02 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1ulp s ALA 68 Cb -0.11 -1.37 0.37 0.00 0.00 0.00 0.00 23.12 22.01 1ulp s ALA 68 CO -0.11 0.41 1.24 0.43 0.00 0.00 0.00 175.76 177.73 1ulp n SER 69 N 2.84 0.00 -0.21 0.00 7.64 -1.26 -1.65 113.62 120.98 1ulp n SER 69 Ca -0.18 0.43 0.09 0.00 1.01 0.00 0.00 58.87 60.22 1ulp n SER 69 Cb 0.53 -0.46 0.15 0.00 -1.01 0.00 0.00 64.21 63.43 1ulp n SER 69 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ulp n THR 70 N -1.46 1.91 -3.94 0.44 5.66 -1.26 -4.72 114.28 110.90 1ulp n THR 70 Ca 0.02 -2.13 -0.41 0.00 -3.05 0.00 0.00 64.05 58.49 1ulp n THR 70 Cb 0.09 -0.20 0.02 0.00 -1.55 0.00 0.00 70.33 68.70 1ulp n THR 70 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ulp n ASP 71 N -1.21 -4.56 -4.81 1.09 2.03 -0.66 -4.89 116.55 103.54 1ulp n ASP 71 Ca 0.16 -1.19 -0.39 0.00 0.52 0.00 0.00 54.79 53.90 1ulp n ASP 71 Cb 0.66 -2.13 -0.06 0.00 -0.72 0.00 0.00 41.12 38.87 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ulp s VAL 72 N -3.45 4.81 -0.59 5.18 0.11 -1.24 -4.69 120.40 120.53 1ulp s VAL 72 Ca 0.44 1.15 0.04 0.00 -2.93 0.00 0.00 61.98 60.68 1ulp s VAL 72 Cb -0.22 -3.87 0.15 0.00 -1.53 0.00 0.00 36.38 30.91 1ulp s VAL 72 CO 0.94 0.54 0.35 -0.89 -3.33 0.00 0.00 175.10 172.71 1ulp s THR 73 N -0.98 2.65 0.00 5.04 2.01 -1.26 -1.77 115.64 121.33 1ulp s THR 73 Ca 0.28 -3.68 0.00 0.00 0.31 0.00 0.00 61.69 58.60 1ulp s THR 73 Cb -0.19 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1ulp s THR 73 CO 0.18 -0.89 0.00 1.33 -0.69 0.00 0.00 174.62 174.55 1ulp n VAL 74 N 2.66 0.00 -3.84 3.82 0.24 -1.26 -4.87 118.33 115.07 1ulp n VAL 74 Ca 0.11 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.16 1ulp n VAL 74 Cb 0.33 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.53 1ulp n VAL 74 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ulp s ARG 75 N 2.40 1.09 0.30 7.34 1.81 -1.18 -3.77 118.95 126.93 1ulp s ARG 75 Ca 0.00 -0.11 0.09 0.00 -1.72 0.00 0.00 55.73 53.98 1ulp s ARG 75 Cb 0.00 -1.36 -0.06 0.00 -0.45 0.00 0.00 34.95 33.09 1ulp s ARG 75 CO 0.00 -0.30 -0.10 0.00 -0.68 0.00 0.00 175.30 174.21 1ulp s ALA 76 N 1.83 2.62 0.00 2.13 0.00 -0.27 -1.20 121.76 126.86 1ulp s ALA 76 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.05 1ulp s ALA 76 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1ulp s ALA 76 CO -0.07 0.06 0.00 1.47 0.00 0.00 0.00 175.76 177.22 1ulp n LEU 77 N -0.65 0.00 -4.12 0.00 -0.00 -0.78 -2.99 117.00 108.45 1ulp n LEU 77 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.85 1ulp n LEU 77 Cb 0.63 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.96 1ulp n LEU 77 CO 0.40 0.00 -0.10 -0.69 -0.00 0.00 0.00 177.39 177.01 1ulp s VAL 78 N -3.24 0.01 0.00 1.47 1.01 -1.25 -1.90 120.40 116.49 1ulp s VAL 78 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1ulp s VAL 78 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1ulp s VAL 78 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1ulp n GLY 79 N -0.29 -0.88 3.88 4.51 0.00 -1.18 -3.31 105.19 107.92 1ulp n GLY 79 Ca -0.00 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 1ulp n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ulp s GLN 80 N -2.00 3.56 -0.99 1.61 0.74 -0.90 -1.86 119.66 119.82 1ulp s GLN 80 Ca 0.00 -0.05 -0.14 0.00 0.05 0.00 0.00 55.36 55.22 1ulp s GLN 80 Cb 0.00 -3.15 0.20 0.00 1.10 0.00 0.00 33.01 31.17 1ulp s GLN 80 CO 0.00 0.71 1.06 -0.80 -0.55 0.00 0.00 175.29 175.71 1ulp s ASN 81 N -1.35 6.92 0.00 6.67 -0.87 -0.18 -4.45 114.94 121.67 1ulp s ASN 81 Ca 0.22 -2.80 0.00 0.00 -1.57 0.00 0.00 52.86 48.71 1ulp s ASN 81 Cb -0.13 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 38.81 1ulp s ASN 81 CO 0.11 -0.66 0.00 0.61 -2.57 0.00 0.00 177.10 174.59 1ulp n GLY 82 N 4.07 3.83 3.22 0.66 0.00 -1.26 -3.01 105.19 112.71 1ulp n GLY 82 Ca 0.23 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp n ALA 83 N -0.69 -3.48 1.72 4.61 0.00 -1.26 -1.46 120.51 119.95 1ulp n ALA 83 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ulp n ALA 83 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1ulp n ALA 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ulp n PRO 84 N 1.27 0.97 -1.47 0.00 -0.04 -1.26 -4.78 135.00 129.69 1ulp n PRO 84 Ca 0.05 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 84 Cb 0.51 -1.11 -0.00 0.00 -0.04 0.00 0.00 33.50 32.85 1ulp n PRO 84 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ulp n TYR 85 N -0.38 -4.02 -3.15 0.54 4.01 -0.53 -5.03 117.16 108.59 1ulp n TYR 85 Ca 0.00 2.18 0.05 0.00 -0.16 0.00 0.00 57.90 59.97 1ulp n TYR 85 Cb 0.05 -3.42 -0.01 0.00 -0.31 0.00 0.00 39.34 35.66 1ulp n TYR 85 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ulp s GLY 86 N -5.32 -0.60 -0.05 2.72 0.00 -1.26 -4.87 107.32 97.94 1ulp s GLY 86 Ca 0.00 2.43 -0.11 0.00 0.00 0.00 0.00 44.72 47.05 1ulp s GLY 86 CO 0.00 3.84 0.28 -0.51 0.00 0.00 0.00 173.10 176.71 1ulp s THR 87 N 2.94 5.26 0.00 0.90 -4.23 -1.26 -2.11 115.64 117.14 1ulp s THR 87 Ca 0.08 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1ulp s THR 87 Cb -0.09 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1ulp s THR 87 CO -0.16 0.57 0.00 1.33 -0.54 0.00 0.00 174.62 175.83 1ulp n VAL 88 N 1.81 0.00 -5.02 2.29 0.24 -1.21 -4.69 118.33 111.75 1ulp n VAL 88 Ca -0.16 -0.19 -0.31 0.00 -2.04 0.00 0.00 64.34 61.64 1ulp n VAL 88 Cb 0.54 0.68 -0.15 0.00 -1.47 0.00 0.00 33.84 33.44 1ulp n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ulp s LEU 89 N -2.37 2.26 -0.42 1.34 1.02 -1.26 -4.87 118.68 114.38 1ulp s LEU 89 Ca 0.00 -0.48 0.05 0.00 0.02 0.00 0.00 54.13 53.72 1ulp s LEU 89 Cb 0.00 -1.37 0.17 0.00 0.02 0.00 0.00 46.19 45.01 1ulp s LEU 89 CO 0.00 0.29 0.48 -1.81 0.02 0.00 0.00 176.35 175.33 1ulp s ASP 90 N -0.98 0.27 0.09 2.29 1.01 -1.26 -3.97 116.67 114.12 1ulp s ASP 90 Ca 0.11 -1.84 -0.03 0.00 0.71 0.00 0.00 52.55 51.50 1ulp s ASP 90 Cb -0.10 0.84 0.01 0.00 1.01 0.00 0.00 42.92 44.68 1ulp s ASP 90 CO 0.01 -0.18 0.18 0.35 0.21 0.00 0.00 175.17 175.75 1ulp n THR 91 N 3.66 0.00 -5.17 -1.27 -2.24 -1.16 -5.07 114.28 103.02 1ulp n THR 91 Ca 0.17 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1ulp n THR 91 Cb 0.50 0.23 -0.16 0.00 -2.10 0.00 0.00 70.33 68.80 1ulp n THR 91 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ulp s SER 92 N -1.49 2.79 -1.24 3.42 0.01 -1.26 -1.12 113.70 114.81 1ulp s SER 92 Ca 0.04 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 56.68 1ulp s SER 92 Cb -0.01 -0.47 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 1ulp s SER 92 CO 0.03 0.27 1.99 -0.81 0.41 0.00 0.00 173.24 175.12 1ulp n PRO 93 N 2.68 2.52 -1.63 12.44 -0.04 -1.25 -4.83 135.00 144.89 1ulp n PRO 93 Ca -0.16 -2.63 -0.52 0.00 -0.04 0.00 0.00 63.50 60.14 1ulp n PRO 93 Cb 0.52 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.58 1ulp n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 94 N 8.17 -0.36 -2.45 0.55 0.00 -1.26 -4.37 120.51 120.79 1ulp n ALA 94 Ca 0.50 0.47 -0.22 0.00 0.00 0.00 0.00 53.44 54.18 1ulp n ALA 94 Cb 0.42 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 1ulp n ALA 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s LEU 95 N 1.39 2.50 0.00 0.00 1.43 -0.73 -4.93 118.68 118.34 1ulp s LEU 95 Ca 0.87 -1.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1ulp s LEU 95 Cb -0.92 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 44.68 1ulp s LEU 95 CO 0.50 -0.36 0.63 1.07 0.23 0.00 0.00 176.35 178.42 1ulp n THR 96 N -0.64 0.00 0.20 5.49 5.66 -1.25 -3.69 114.28 120.05 1ulp n THR 96 Ca -0.05 -0.98 0.04 0.00 -3.05 0.00 0.00 64.05 60.01 1ulp n THR 96 Cb 0.64 0.87 0.41 0.00 -1.55 0.00 0.00 70.33 70.69 1ulp n THR 96 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1ulp h SER 97 N 1.70 0.00 -2.07 1.09 4.64 -1.83 -2.52 113.55 114.56 1ulp h SER 97 Ca -0.28 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.57 1ulp h SER 97 Cb 1.05 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.24 1ulp h SER 97 CO 0.36 0.33 0.14 -1.61 -0.87 0.00 0.00 176.83 175.18 1ulp s GLU 98 N -4.19 1.42 0.08 4.77 2.02 -1.26 -4.88 118.70 116.66 1ulp s GLU 98 Ca -0.03 -1.20 -0.31 0.00 0.02 0.00 0.00 54.97 53.46 1ulp s GLU 98 Cb 0.14 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 32.03 1ulp s GLU 98 CO 0.71 -1.65 1.21 -1.25 0.02 0.00 0.00 175.26 174.29 1ulp s PRO 99 N -5.25 4.43 -0.47 0.39 0.04 -1.26 -4.69 135.00 128.19 1ulp s PRO 99 Ca 0.69 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.56 1ulp s PRO 99 Cb -0.04 -3.33 0.12 0.00 0.04 0.00 0.00 34.50 31.29 1ulp s PRO 99 CO 0.46 -0.25 0.21 1.03 0.04 0.00 0.00 177.00 178.49 1ulp s ARG 100 N 0.94 1.86 0.65 4.56 0.52 -1.04 -5.03 118.95 121.41 1ulp s ARG 100 Ca 0.59 -2.43 -0.14 0.00 -0.52 0.00 0.00 55.73 53.23 1ulp s ARG 100 Cb -0.30 -3.30 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 1ulp s ARG 100 CO 0.30 -1.07 1.07 -1.14 0.02 0.00 0.00 175.30 174.48 1ulp s GLN 101 N 0.02 3.02 -0.02 3.54 0.74 -1.26 -1.84 119.66 123.86 1ulp s GLN 101 Ca 0.15 1.17 0.01 0.00 0.05 0.00 0.00 55.36 56.75 1ulp s GLN 101 Cb -0.24 -1.99 0.01 0.00 1.10 0.00 0.00 33.01 31.89 1ulp s GLN 101 CO -0.02 -1.05 -0.02 0.08 -0.55 0.00 0.00 175.29 173.73 1ulp s VAL 102 N -2.62 0.28 -0.17 1.34 1.01 0.25 -4.87 120.40 115.62 1ulp s VAL 102 Ca 0.63 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 1ulp s VAL 102 Cb -0.16 -0.30 0.08 0.00 0.00 0.00 0.00 36.38 35.99 1ulp s VAL 102 CO 0.44 0.13 0.36 -0.89 0.00 0.00 0.00 175.10 175.14 1ulp s THR 103 N 0.51 -0.53 -0.28 3.92 2.01 -1.26 -1.55 115.64 118.47 1ulp s THR 103 Ca -0.05 0.21 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 1ulp s THR 103 Cb -0.08 -0.58 0.08 0.00 0.01 0.00 0.00 72.50 71.93 1ulp s THR 103 CO -0.01 0.09 0.70 -1.61 -0.69 0.00 0.00 174.62 173.10 1ulp s GLU 104 N 2.48 0.76 0.11 4.92 8.01 -1.04 -5.01 118.70 128.92 1ulp s GLU 104 Ca -0.01 1.14 -0.12 0.00 0.01 0.00 0.00 54.97 55.99 1ulp s GLU 104 Cb -0.12 0.24 -0.06 0.00 -4.31 0.00 0.00 34.13 29.88 1ulp s GLU 104 CO -0.11 -0.13 0.47 0.99 0.01 0.00 0.00 175.26 176.49 1ulp s THR 105 N 1.17 4.98 0.02 3.63 2.01 -1.26 -1.35 115.64 124.83 1ulp s THR 105 Ca -0.06 0.64 -0.15 0.00 0.31 0.00 0.00 61.69 62.43 1ulp s THR 105 Cb -0.05 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1ulp s THR 105 CO -0.12 0.26 0.32 0.72 -0.69 0.00 0.00 174.62 175.11 1ulp s PHE 106 N -1.43 -0.15 -0.85 4.92 -0.71 -0.61 -4.96 117.98 114.19 1ulp s PHE 106 Ca 0.35 0.09 -0.19 0.00 -1.04 0.00 0.00 56.93 56.14 1ulp s PHE 106 Cb -0.14 0.11 0.12 0.00 -1.21 0.00 0.00 43.02 41.90 1ulp s PHE 106 CO 0.19 -0.48 1.05 0.99 -1.34 0.00 0.00 175.22 175.63 1ulp s THR 107 N -2.16 4.69 -0.84 -4.49 2.01 -1.26 -0.99 115.64 112.61 1ulp s THR 107 Ca -0.08 -1.34 -0.24 0.00 0.31 0.00 0.00 61.69 60.34 1ulp s THR 107 Cb -0.02 -4.73 -0.19 0.00 0.01 0.00 0.00 72.50 67.57 1ulp s THR 107 CO -0.01 -1.45 2.47 0.00 -0.69 0.00 0.00 174.62 174.94 1ulp n ALA 108 N 6.65 0.61 -1.21 7.40 0.00 0.14 -4.61 120.51 129.48 1ulp n ALA 108 Ca 0.16 -0.74 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 1ulp n ALA 108 Cb 0.48 -2.70 -0.11 0.00 0.00 0.00 0.00 19.45 17.12 1ulp n ALA 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ulp n SER 109 N 12.12 5.85 0.00 0.00 3.41 -1.26 -1.68 113.62 132.06 1ulp n SER 109 Ca 0.56 -2.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 1ulp n SER 109 Cb 0.25 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1ulp n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 110 N 1.66 0.00 -3.44 7.33 0.00 -0.87 -4.76 120.51 120.43 1ulp n ALA 110 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 1ulp n ALA 110 Cb 0.73 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 1ulp n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulp s THR 111 N -1.24 -0.59 -0.42 0.00 2.01 -1.26 0.20 115.64 114.33 1ulp s THR 111 Ca 0.00 -0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 1ulp s THR 111 Cb 0.00 -0.76 0.10 0.00 0.01 0.00 0.00 72.50 71.86 1ulp s THR 111 CO 0.00 -0.07 0.25 -0.31 -0.69 0.00 0.00 174.62 173.80 1ulp s TYR 112 N 2.54 3.47 0.23 4.92 2.02 -1.02 -4.69 117.35 124.82 1ulp s TYR 112 Ca 0.09 -2.04 -0.30 0.00 -0.37 0.00 0.00 57.07 54.45 1ulp s TYR 112 Cb -0.15 -3.20 -0.09 0.00 -0.40 0.00 0.00 41.96 38.12 1ulp s TYR 112 CO -0.15 -0.95 1.21 -1.25 -1.57 0.00 0.00 175.55 172.85 1ulp s PRO 113 N 1.27 4.49 0.00 -1.71 0.04 -1.26 -1.64 135.00 136.20 1ulp s PRO 113 Ca 0.06 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1ulp s PRO 113 Cb -0.24 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1ulp s PRO 113 CO -0.02 -0.06 0.26 0.00 0.04 0.00 0.00 177.00 177.23 1ulp n ALA 114 N 1.96 0.00 -2.68 8.56 0.00 -1.19 -3.15 120.51 124.01 1ulp n ALA 114 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 1ulp n ALA 114 Cb 0.44 0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1ulp n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ulp s THR 115 N -0.52 3.86 1.11 0.00 -4.23 -1.26 -4.34 115.64 110.25 1ulp s THR 115 Ca 0.00 -1.31 -0.18 0.00 -1.18 0.00 0.00 61.69 59.02 1ulp s THR 115 Cb 0.00 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 71.18 1ulp s THR 115 CO 0.00 -0.07 1.22 -2.16 -0.54 0.00 0.00 174.62 173.07 1ulp s PRO 116 N -2.85 -0.55 0.00 3.99 0.04 -1.25 -4.84 135.00 129.54 1ulp s PRO 116 Ca 0.27 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.01 1ulp s PRO 116 Cb -0.10 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1ulp s PRO 116 CO 0.19 -3.22 0.00 0.00 0.04 0.00 0.00 177.00 174.01 1ulp n ALA 117 N -4.36 0.00 0.01 8.56 0.00 -0.22 -4.82 120.51 119.67 1ulp n ALA 117 Ca 0.15 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.81 1ulp n ALA 117 Cb 0.59 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.61 1ulp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp h ALA 118 N 1.51 2.38 0.00 0.00 0.00 -2.02 -3.00 119.26 118.12 1ulp h ALA 118 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ulp h ALA 118 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1ulp h ALA 118 CO 0.00 -1.11 -0.08 -0.25 0.00 0.00 0.00 179.25 177.81 1ulp n ASP 119 N -3.33 -0.27 -4.56 0.00 8.00 -1.26 -5.11 116.55 110.02 1ulp n ASP 119 Ca 0.12 -1.18 -0.35 0.00 0.71 0.00 0.00 54.79 54.10 1ulp n ASP 119 Cb 1.00 0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 42.08 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1ulp s ASP 120 N -0.27 5.29 1.00 -2.24 1.11 -1.14 -5.10 116.67 115.32 1ulp s ASP 120 Ca 0.00 -0.03 -0.00 0.00 0.18 0.00 0.00 52.55 52.70 1ulp s ASP 120 Cb 0.00 -1.90 0.00 0.00 1.07 0.00 0.00 42.92 42.09 1ulp s ASP 120 CO 0.00 0.14 0.01 -0.81 1.18 0.00 0.00 175.17 175.69 1ulp n PRO 121 N 3.75 -0.35 -3.69 8.23 -0.04 -1.26 -1.06 135.00 140.57 1ulp n PRO 121 Ca -0.17 -0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 1ulp n PRO 121 Cb 0.52 -0.01 -0.10 0.00 -0.04 0.00 0.00 33.50 33.87 1ulp n PRO 121 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1ulp s GLU 122 N -3.01 0.48 0.32 0.54 1.03 -1.16 -3.77 118.70 113.12 1ulp s GLU 122 Ca 0.00 0.81 -0.21 0.00 0.03 0.00 0.00 54.97 55.60 1ulp s GLU 122 Cb -0.00 0.08 -0.09 0.00 -0.80 0.00 0.00 34.13 33.31 1ulp s GLU 122 CO 0.00 -0.13 0.84 0.20 -1.33 0.00 0.00 175.26 174.84 1ulp s GLY 123 N 1.11 2.57 0.00 -3.83 0.00 -1.19 -1.01 107.32 104.97 1ulp s GLY 123 Ca -0.07 0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1ulp s GLY 123 CO -0.10 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.25 1ulp n GLN 124 N 0.18 0.00 -5.13 2.90 10.64 -0.78 -2.30 117.38 122.89 1ulp n GLN 124 Ca 0.02 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.87 1ulp n GLN 124 Cb 0.52 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.75 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ulp s ILE 125 N -1.31 2.43 -0.17 -0.39 1.01 -1.13 -3.10 121.20 118.54 1ulp s ILE 125 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1ulp s ILE 125 Cb 0.00 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1ulp s ILE 125 CO 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 174.94 175.40 1ulp s ALA 126 N -0.43 2.63 -0.44 9.38 0.00 -0.80 -3.03 121.76 129.07 1ulp s ALA 126 Ca 0.04 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1ulp s ALA 126 Cb -0.12 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.75 1ulp s ALA 126 CO 0.01 -0.08 0.18 -0.06 0.00 0.00 0.00 175.76 175.82 1ulp s PHE 127 N 0.89 3.50 -0.91 0.00 0.40 -0.71 -1.87 117.98 119.28 1ulp s PHE 127 Ca -0.03 -2.97 -0.20 0.00 -0.60 0.00 0.00 56.93 53.14 1ulp s PHE 127 Cb -0.15 -2.95 0.12 0.00 0.51 0.00 0.00 43.02 40.54 1ulp s PHE 127 CO -0.00 -0.87 1.15 -0.65 0.70 0.00 0.00 175.22 175.55 1ulp s GLN 128 N 0.39 3.55 -0.75 0.44 1.11 -0.34 -1.09 119.66 122.98 1ulp s GLN 128 Ca 0.13 -1.61 -0.02 0.00 0.01 0.00 0.00 55.36 53.88 1ulp s GLN 128 Cb -0.22 -4.90 0.40 0.00 -1.01 0.00 0.00 33.01 27.27 1ulp s GLN 128 CO -0.04 -1.82 1.99 1.28 0.01 0.00 0.00 175.29 176.71 1ulp n LEU 129 N 6.90 7.49 -4.81 2.90 4.77 0.41 -3.10 117.00 131.55 1ulp n LEU 129 Ca 0.22 -4.62 -0.37 0.00 -0.03 0.00 0.00 56.01 51.21 1ulp n LEU 129 Cb 0.49 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1ulp n LEU 129 CO 0.53 1.66 -0.03 -0.83 -1.33 0.00 0.00 177.39 177.40 1ulp s GLY 130 N -1.51 2.28 -0.64 -0.72 0.00 -0.86 -2.49 107.32 103.37 1ulp s GLY 130 Ca 0.57 -0.44 -0.12 0.00 0.00 0.00 0.00 44.72 44.73 1ulp s GLY 130 CO -0.23 0.09 0.57 0.61 0.00 0.00 0.00 173.10 174.14 1ulp n GLY 131 N 2.47 -0.74 0.00 0.20 0.00 -0.75 -4.85 105.19 101.52 1ulp n GLY 131 Ca -0.15 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1ulp n GLY 131 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ulp n PHE 132 N -1.70 0.00 -2.90 1.61 3.72 -1.23 -4.97 117.46 111.99 1ulp n PHE 132 Ca -0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.74 1ulp n PHE 132 Cb 0.64 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.14 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp s SER 133 N 1.00 6.18 0.14 4.37 0.15 -1.26 -4.91 113.70 119.37 1ulp s SER 133 Ca 0.00 -1.03 -0.05 0.00 0.70 0.00 0.00 55.95 55.57 1ulp s SER 133 Cb 0.00 -2.40 0.22 0.00 -1.71 0.00 0.00 66.02 62.13 1ulp s SER 133 CO 0.00 -1.38 0.80 0.00 1.20 0.00 0.00 173.24 173.86 1ulp n ALA 134 N 7.48 0.10 -1.47 5.45 0.00 -1.26 0.54 120.51 131.36 1ulp n ALA 134 Ca -0.05 0.56 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 1ulp n ALA 134 Cb 0.45 -0.33 0.06 0.00 0.00 0.00 0.00 19.45 19.64 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s ASP 135 N -5.14 5.09 0.36 0.00 1.01 -1.26 0.26 116.67 116.99 1ulp s ASP 135 Ca -0.08 1.71 -0.23 0.00 0.71 0.00 0.00 52.55 54.66 1ulp s ASP 135 Cb 0.13 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 1ulp s ASP 135 CO 0.40 -1.64 0.93 0.00 0.21 0.00 0.00 175.17 175.06 1ulp s ALA 136 N -2.95 3.16 0.00 5.23 0.00 -1.26 -1.81 121.76 124.13 1ulp s ALA 136 Ca 0.60 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1ulp s ALA 136 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1ulp s ALA 136 CO 0.54 0.17 0.00 -2.67 0.00 0.00 0.00 175.76 173.80 1ulp n TRP 137 N 0.05 -0.53 -4.01 0.00 2.14 -0.25 -4.85 117.44 109.98 1ulp n TRP 137 Ca 0.04 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.51 1ulp n TRP 137 Cb 0.52 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.96 1ulp n TRP 137 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 1ulp s THR 138 N -2.71 0.01 -0.12 -1.67 2.01 -1.26 -0.65 115.64 111.24 1ulp s THR 138 Ca 0.00 -1.47 -0.01 0.00 0.31 0.00 0.00 61.69 60.52 1ulp s THR 138 Cb 0.00 -2.17 0.04 0.00 0.01 0.00 0.00 72.50 70.38 1ulp s THR 138 CO 0.00 -0.05 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.11 1ulp s LEU 139 N -3.03 1.02 -0.40 4.42 1.02 -1.15 -3.98 118.68 116.58 1ulp s LEU 139 Ca 0.24 -0.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.86 1ulp s LEU 139 Cb 0.01 -0.64 0.03 0.00 0.02 0.00 0.00 46.19 45.61 1ulp s LEU 139 CO 0.08 -0.20 0.27 0.00 0.02 0.00 0.00 176.35 176.51 1ulp n LEU 141 N 5.09 0.00 0.00 0.00 4.77 -1.04 -1.84 117.00 123.97 1ulp n LEU 141 Ca -0.11 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 1ulp n LEU 141 Cb 0.46 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1ulp n LEU 141 CO 0.39 -0.69 0.00 -0.90 -1.33 0.00 0.00 177.39 174.86 1ulp n ASP 142 N -2.36 0.00 0.00 -1.43 5.68 -1.20 -2.00 116.55 115.25 1ulp n ASP 142 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1ulp n ASP 142 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1ulp n ASP 142 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ulp n ASP 143 N 0.00 0.00 -4.57 -1.12 8.00 -1.14 -4.12 116.55 113.60 1ulp n ASP 143 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1ulp n ASP 143 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ulp s VAL 144 N 0.00 4.83 0.04 2.53 1.01 0.69 -1.89 120.40 127.62 1ulp s VAL 144 Ca 0.00 0.62 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 1ulp s VAL 144 Cb 0.00 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1ulp s VAL 144 CO 0.00 -0.38 0.16 0.00 0.00 0.00 0.00 175.10 174.88 1ulp s ALA 145 N 2.84 -0.26 -0.21 5.51 0.00 -0.98 -2.50 121.76 126.15 1ulp s ALA 145 Ca 0.26 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 1ulp s ALA 145 Cb -0.14 0.28 0.09 0.00 0.00 0.00 0.00 23.12 23.35 1ulp s ALA 145 CO 0.16 -0.36 0.47 -1.17 0.00 0.00 0.00 175.76 174.87 1ulp s LEU 146 N -2.15 -0.60 0.03 0.00 2.96 -1.26 -2.93 118.68 114.73 1ulp s LEU 146 Ca -0.04 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 1ulp s LEU 146 Cb -0.01 1.58 -0.02 0.00 0.50 0.00 0.00 46.19 48.25 1ulp s LEU 146 CO -0.05 -0.22 -0.07 -0.62 -1.32 0.00 0.00 176.35 174.07 1ulp s ASP 147 N 2.25 0.79 -0.32 3.68 2.15 -1.26 -4.93 116.67 119.02 1ulp s ASP 147 Ca -0.05 -0.44 -0.08 0.00 0.43 0.00 0.00 52.55 52.41 1ulp s ASP 147 Cb -0.10 0.01 0.02 0.00 -0.30 0.00 0.00 42.92 42.54 1ulp s ASP 147 CO -0.14 -0.14 0.12 -0.94 -0.17 0.00 0.00 175.17 173.90 1ulp s SER 148 N -1.22 5.37 -1.03 -0.34 1.04 -1.25 -3.35 113.70 112.92 1ulp s SER 148 Ca -0.07 -0.83 -0.23 0.00 0.48 0.00 0.00 55.95 55.30 1ulp s SER 148 Cb -0.08 -1.93 -0.01 0.00 0.10 0.00 0.00 66.02 64.10 1ulp s SER 148 CO 0.00 -0.26 1.77 -1.83 0.98 0.00 0.00 173.24 173.90 1ulp s GLU 149 N 1.51 3.01 0.28 4.02 -1.05 -1.25 -4.87 118.70 120.35 1ulp s GLU 149 Ca 0.02 -0.86 -0.20 0.00 -0.15 0.00 0.00 54.97 53.78 1ulp s GLU 149 Cb -0.18 -5.23 0.02 0.00 -0.44 0.00 0.00 34.13 28.30 1ulp s GLU 149 CO 0.04 -3.00 0.70 0.54 0.95 0.00 0.00 175.26 174.49 1ulp s VAL 150 N 8.07 0.00 -1.28 1.83 0.11 -1.26 -4.81 120.40 123.07 1ulp s VAL 150 Ca 0.61 -1.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.50 1ulp s VAL 150 Cb -0.03 -2.06 0.14 0.00 -1.53 0.00 0.00 36.38 32.91 1ulp s VAL 150 CO -0.00 0.00 1.74 1.21 -3.33 0.00 0.00 175.10 174.72 1ulp n GLU 151 N -0.46 3.39 0.00 1.54 2.13 -1.26 -5.19 120.64 120.79 1ulp n GLU 151 Ca -0.04 -3.51 0.00 0.00 0.66 0.00 0.00 57.16 54.28 1ulp n GLU 151 Cb 0.59 -3.08 0.03 0.00 0.27 0.00 0.00 31.44 29.25 1ulp n GLU 151 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19