#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 4.81 -4.45 0.00 3.41 -1.26 -4.66 113.62 111.46 1ulp n SER 2 Ca 0.00 -3.28 -0.35 0.00 -0.26 0.00 0.00 58.87 54.98 1ulp n SER 2 Cb 0.00 -1.04 -0.04 0.00 -0.26 0.00 0.00 64.21 62.87 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ulp n PRO 3 N 1.69 2.14 -1.05 4.33 -0.04 -1.26 -4.68 135.00 136.13 1ulp n PRO 3 Ca 0.25 -2.67 -0.14 0.00 -0.04 0.00 0.00 63.50 60.90 1ulp n PRO 3 Cb 0.37 -3.56 0.18 0.00 -0.04 0.00 0.00 33.50 30.44 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 7.08 2.86 -3.78 0.52 -5.35 -1.26 -4.90 119.36 114.52 1ulp n ILE 4 Ca 0.47 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 60.42 1ulp n ILE 4 Cb 0.45 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 -1.11 -2.06 0.00 3.28 0.00 -1.26 -4.75 105.19 99.29 1ulp n GLY 5 Ca 0.45 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1ulp n GLY 5 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ulp n GLU 6 N 0.00 0.00 0.00 1.61 0.28 -0.84 -4.38 120.64 117.30 1ulp n GLU 6 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ulp n GLU 6 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ulp n GLY 7 N 0.00 -0.58 0.00 -1.84 0.00 -1.26 -4.86 105.19 96.65 1ulp n GLY 7 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.00 -2.64 2.61 -2.24 -1.25 -0.60 114.28 110.16 1ulp n THR 8 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1ulp n THR 8 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 0.00 1.63 -1.32 4.78 3.72 -1.24 -4.52 117.46 120.50 1ulp n PHE 9 Ca 0.00 -2.34 -0.22 0.00 -0.05 0.00 0.00 57.45 54.83 1ulp n PHE 9 Cb 0.00 -0.27 -0.07 0.00 -0.94 0.00 0.00 39.48 38.20 1ulp n PHE 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ulp n ASP 10 N -0.51 6.19 0.00 4.37 2.03 -1.26 -4.26 116.55 123.11 1ulp n ASP 10 Ca 0.16 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1ulp n ASP 10 Cb 0.83 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1ulp n ASP 11 N 1.19 0.00 -1.74 1.67 5.68 -1.26 -5.01 116.55 117.08 1ulp n ASP 11 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 1ulp n ASP 11 Cb 0.63 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ulp n GLY 12 N 0.00 -4.97 1.64 6.12 0.00 -1.26 -4.60 105.19 102.12 1ulp n GLY 12 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 0.76 1.28 0.00 1.61 -0.04 -1.26 -4.92 135.00 132.43 1ulp n PRO 13 Ca 0.00 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1ulp n PRO 13 Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.60 0.00 0.00 0.54 -0.58 -1.26 -0.91 120.64 120.02 1ulp n GLU 14 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1ulp n GLU 14 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.46 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ulp n GLY 15 N 0.00 1.00 3.52 0.62 0.00 -1.26 -5.02 105.19 104.05 1ulp n GLY 15 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ulp n GLY 15 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ulp n TRP 16 N 0.00 0.77 -3.21 1.61 7.02 -0.09 -4.52 117.44 119.02 1ulp n TRP 16 Ca 0.00 -0.03 -0.32 0.00 -1.02 0.00 0.00 57.50 56.13 1ulp n TRP 16 Cb 0.25 -1.94 -0.05 0.00 -2.42 0.00 0.00 31.31 27.14 1ulp n TRP 16 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1ulp s VAL 17 N 10.36 4.79 0.14 -0.99 -7.23 -0.62 -4.91 120.40 121.94 1ulp s VAL 17 Ca 0.99 0.72 0.05 0.00 -1.81 0.00 0.00 61.98 61.92 1ulp s VAL 17 Cb -0.32 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 1ulp s VAL 17 CO 0.22 -0.19 -0.11 0.00 -0.31 0.00 0.00 175.10 174.72 1ulp s ALA 18 N -1.97 1.42 0.19 1.32 0.00 -1.26 -0.54 121.76 120.93 1ulp s ALA 18 Ca 0.51 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1ulp s ALA 18 Cb -0.11 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1ulp s ALA 18 CO 0.21 -0.05 0.39 1.52 0.00 0.00 0.00 175.76 177.82 1ulp s TYR 19 N -2.98 0.27 0.00 0.00 1.13 -0.59 -4.58 117.35 110.60 1ulp s TYR 19 Ca 0.14 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.18 1ulp s TYR 19 Cb 0.00 0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.97 1ulp s TYR 19 CO 0.01 -0.83 0.00 0.41 -2.51 0.00 0.00 175.55 172.63 1ulp n GLY 20 N -0.29 -1.29 0.42 5.49 0.00 -1.26 -2.67 105.19 105.59 1ulp n GLY 20 Ca -0.07 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -4.35 2.61 -2.24 -1.26 -4.98 114.28 104.05 1ulp n THR 21 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1ulp n THR 21 Cb 0.00 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 1ulp n THR 21 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ulp n ASP 22 N 0.00 -0.17 -4.06 3.42 8.00 -1.26 -4.98 116.55 117.49 1ulp n ASP 22 Ca 0.00 -3.25 -0.37 0.00 0.71 0.00 0.00 54.79 51.89 1ulp n ASP 22 Cb 0.55 1.53 0.06 0.00 -0.02 0.00 0.00 41.12 43.24 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulp n GLY 23 N -0.73 -3.61 3.79 0.44 0.00 -1.26 -4.86 105.19 98.96 1ulp n GLY 23 Ca 0.04 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.28 2.45 0.57 1.61 0.04 -1.26 -4.37 135.00 131.76 1ulp s PRO 24 Ca 0.41 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1ulp s PRO 24 Cb -0.07 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 1ulp s PRO 24 CO 0.74 -1.46 -0.07 1.47 0.04 0.00 0.00 177.00 177.72 1ulp n LEU 25 N -3.38 -3.07 -4.19 -3.56 -0.00 -1.26 -4.82 117.00 96.73 1ulp n LEU 25 Ca 0.08 0.62 -0.27 0.00 -0.00 0.00 0.00 56.01 56.44 1ulp n LEU 25 Cb 0.54 -0.90 -0.16 0.00 -0.00 0.00 0.00 43.42 42.89 1ulp n LEU 25 CO 0.55 -4.59 -0.52 -1.81 -0.00 0.00 0.00 177.39 171.02 1ulp s ASP 26 N -1.05 2.39 -0.00 1.45 1.01 -0.90 -4.93 116.67 114.64 1ulp s ASP 26 Ca 0.57 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.45 1ulp s ASP 26 Cb -0.45 -0.51 -0.00 0.00 1.01 0.00 0.00 42.92 42.97 1ulp s ASP 26 CO 0.66 0.20 0.00 0.35 0.21 0.00 0.00 175.17 176.59 1ulp n THR 27 N 2.90 0.00 -1.36 -1.27 -2.24 -1.25 -1.29 114.28 109.77 1ulp n THR 27 Ca -0.17 -0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1ulp n THR 27 Cb 0.53 -0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.84 -0.23 0.00 3.42 7.64 -1.26 -1.71 113.62 119.64 1ulp n SER 28 Ca -0.00 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.22 1ulp n SER 28 Cb 0.34 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ulp n THR 29 N 6.87 0.00 0.00 0.44 5.66 -1.26 -4.94 114.28 121.04 1ulp n THR 29 Ca 0.31 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1ulp n THR 29 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1ulp n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ulp n GLY 30 N 0.00 0.17 3.30 1.09 0.00 -0.69 -5.02 105.19 104.03 1ulp n GLY 30 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.16 -0.53 -0.52 4.61 0.00 -1.24 -3.68 121.76 119.24 1ulp s ALA 31 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.44 1ulp s ALA 31 Cb 0.00 0.65 0.13 0.00 0.00 0.00 0.00 23.12 23.90 1ulp s ALA 31 CO 0.00 -0.61 0.42 -1.17 0.00 0.00 0.00 175.76 174.41 1ulp s LEU 32 N -2.85 5.92 -0.32 0.00 0.20 -1.11 -3.82 118.68 116.70 1ulp s LEU 32 Ca 0.06 -1.92 -0.15 0.00 0.69 0.00 0.00 54.13 52.81 1ulp s LEU 32 Cb 0.03 -2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 43.68 1ulp s LEU 32 CO -0.09 -0.75 0.39 0.00 -0.29 0.00 0.00 176.35 175.61 1ulp s VAL 34 N 2.10 4.86 -0.16 0.00 -7.23 -0.93 -2.12 120.40 116.92 1ulp s VAL 34 Ca 0.14 0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 60.71 1ulp s VAL 34 Cb -0.16 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 1ulp s VAL 34 CO 0.11 -0.10 0.58 0.00 -0.31 0.00 0.00 175.10 175.39 1ulp s ALA 35 N -1.86 3.49 -0.14 1.32 0.00 -1.26 -2.89 121.76 120.42 1ulp s ALA 35 Ca 0.49 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1ulp s ALA 35 Cb -0.11 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.18 1ulp s ALA 35 CO 0.20 -0.32 -0.11 0.08 0.00 0.00 0.00 175.76 175.61 1ulp s VAL 36 N 1.35 1.33 1.04 0.00 1.01 -0.12 -4.36 120.40 120.66 1ulp s VAL 36 Ca 0.29 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1ulp s VAL 36 Cb -0.16 -1.30 0.26 0.00 0.00 0.00 0.00 36.38 35.18 1ulp s VAL 36 CO 0.11 0.40 0.80 -0.81 0.00 0.00 0.00 175.10 175.60 1ulp n PRO 37 N 4.84 -3.29 -1.68 2.72 -0.04 -1.26 -0.77 135.00 135.53 1ulp n PRO 37 Ca -0.15 -1.30 -0.46 0.00 -0.04 0.00 0.00 63.50 61.56 1ulp n PRO 37 Cb 0.50 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 1ulp n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 38 N -4.76 1.43 -2.21 0.55 0.00 -1.26 -1.63 120.51 112.63 1ulp n ALA 38 Ca -0.16 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ulp n ALA 38 Cb 0.47 -2.43 -0.00 0.00 0.00 0.00 0.00 19.45 17.48 1ulp n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulp n GLY 39 N 3.82 -0.40 3.95 0.00 0.00 0.32 -2.05 105.19 110.83 1ulp n GLY 39 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.03 -2.39 -4.45 1.61 2.88 -0.65 -3.75 113.62 105.84 1ulp n SER 40 Ca -0.00 -0.77 -0.43 0.00 -1.33 0.00 0.00 58.87 56.33 1ulp n SER 40 Cb 0.41 -0.92 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 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 -4.14 3.22 0.00 -1.46 0.00 -0.87 -1.86 121.76 116.65 1ulp s ALA 41 Ca 0.29 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1ulp s ALA 41 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.00 1ulp s ALA 41 CO 0.57 -2.88 0.00 0.00 0.00 0.00 0.00 175.76 173.45 1ulp n GLN 42 N 7.18 0.00 0.09 0.00 10.64 -1.26 -4.94 117.38 129.09 1ulp n GLN 42 Ca 0.10 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.33 1ulp n GLN 42 Cb 0.47 0.00 0.35 0.00 -0.86 0.00 0.00 30.24 30.20 1ulp n GLN 42 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1ulp n TYR 43 N 0.08 0.42 0.00 2.61 4.11 -1.26 -4.89 117.16 118.23 1ulp n TYR 43 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.90 58.11 1ulp n TYR 43 Cb 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 39.34 38.50 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ulp n GLY 44 N -1.19 2.78 3.95 -7.48 0.00 -1.26 -5.00 105.19 96.99 1ulp n GLY 44 Ca -0.00 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 2.44 -2.56 1.61 1.01 -1.11 -4.74 120.40 117.05 1ulp s VAL 45 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1ulp s VAL 45 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1ulp s VAL 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 46 N -2.66 -1.61 3.22 4.51 0.00 -1.09 0.56 105.19 108.12 1ulp n GLY 46 Ca 0.08 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1ulp n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 47 N -2.60 -0.08 -0.05 1.61 1.01 0.34 -1.54 120.40 119.09 1ulp s VAL 47 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1ulp s VAL 47 Cb 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1ulp s VAL 47 CO 0.00 0.05 -0.25 0.68 0.00 0.00 0.00 175.10 175.58 1ulp s VAL 48 N 1.48 2.06 -0.36 2.92 -7.23 0.30 -1.80 120.40 117.77 1ulp s VAL 48 Ca -0.09 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1ulp s VAL 48 Cb -0.09 -1.74 0.11 0.00 0.56 0.00 0.00 36.38 35.22 1ulp s VAL 48 CO -0.12 0.57 0.14 -0.22 -0.31 0.00 0.00 175.10 175.16 1ulp s LEU 49 N -0.20 2.91 0.16 1.32 2.96 -1.17 -1.58 118.68 123.08 1ulp s LEU 49 Ca -0.03 -2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 51.51 1ulp s LEU 49 Cb -0.13 -1.08 -0.07 0.00 0.50 0.00 0.00 46.19 45.40 1ulp s LEU 49 CO 0.03 -0.36 1.12 0.54 -1.32 0.00 0.00 176.35 176.36 1ulp s ASN 50 N 1.05 7.22 0.00 3.68 2.20 -1.26 -2.71 114.94 125.13 1ulp s ASN 50 Ca 0.13 2.09 0.00 0.00 -0.94 0.00 0.00 52.86 54.13 1ulp s ASN 50 Cb -0.20 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.45 1ulp s ASN 50 CO -0.14 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.36 1ulp n GLY 51 N 2.21 0.20 3.18 0.45 0.00 -1.20 -4.93 105.19 105.10 1ulp n GLY 51 Ca 0.04 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 0.13 -0.42 1.61 1.01 -1.17 -4.50 120.40 117.06 1ulp s VAL 52 Ca 0.00 -1.95 0.03 0.00 0.00 0.00 0.00 61.98 60.05 1ulp s VAL 52 Cb 0.00 -2.25 0.16 0.00 0.00 0.00 0.00 36.38 34.29 1ulp s VAL 52 CO 0.00 -0.27 0.30 0.00 0.00 0.00 0.00 175.10 175.14 1ulp s ALA 53 N -4.05 1.48 0.25 5.51 0.00 -1.23 0.06 121.76 123.79 1ulp s ALA 53 Ca 0.30 -2.38 0.10 0.00 0.00 0.00 0.00 51.96 49.99 1ulp s ALA 53 Cb 0.07 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 1ulp s ALA 53 CO 0.06 -2.03 -0.10 0.42 0.00 0.00 0.00 175.76 174.12 1ulp s ILE 54 N 0.28 3.03 -0.17 0.00 -1.09 -0.78 -4.84 121.20 117.63 1ulp s ILE 54 Ca 0.27 -2.04 -0.12 0.00 -2.23 0.00 0.00 60.65 56.53 1ulp s ILE 54 Cb -0.07 -2.58 0.05 0.00 -1.58 0.00 0.00 42.46 38.28 1ulp s ILE 54 CO -0.12 -0.33 0.42 -0.70 -1.23 0.00 0.00 174.94 172.99 1ulp s GLU 55 N -3.43 0.44 0.00 2.79 2.56 -1.20 -0.75 118.70 119.10 1ulp s GLU 55 Ca 0.29 0.71 0.00 0.00 0.00 0.00 0.00 54.97 55.97 1ulp s GLU 55 Cb -0.06 0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.16 1ulp s GLU 55 CO 0.17 -0.12 0.00 -0.85 -0.56 0.00 0.00 175.26 173.90 1ulp n GLU 56 N 3.65 0.00 -2.71 4.30 0.28 0.35 -3.33 120.64 123.19 1ulp n GLU 56 Ca -0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.39 1ulp n GLU 56 Cb 0.56 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.40 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 1.52 0.46 -1.84 0.00 -1.23 -2.25 107.32 103.97 1ulp s GLY 57 Ca 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 44.72 42.35 1ulp s GLY 57 CO 0.00 2.40 0.05 -1.59 0.00 0.00 0.00 173.10 173.96 1ulp s THR 58 N 4.06 1.68 0.32 0.90 2.01 -0.73 -4.87 115.64 119.01 1ulp s THR 58 Ca 0.40 -1.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.38 1ulp s THR 58 Cb -0.03 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.81 1ulp s THR 58 CO -0.08 0.00 0.63 -0.89 -0.69 0.00 0.00 174.62 173.59 1ulp s THR 59 N -2.77 4.92 -0.29 -0.82 2.01 -1.26 0.12 115.64 117.54 1ulp s THR 59 Ca 0.24 0.33 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 1ulp s THR 59 Cb 0.05 -3.71 0.12 0.00 0.01 0.00 0.00 72.50 68.97 1ulp s THR 59 CO 0.13 -0.35 0.65 -0.31 -0.69 0.00 0.00 174.62 174.05 1ulp s TYR 60 N -2.14 -1.29 -0.35 4.92 2.02 -0.10 -3.85 117.35 116.55 1ulp s TYR 60 Ca 0.47 2.29 -0.20 0.00 -0.37 0.00 0.00 57.07 59.26 1ulp s TYR 60 Cb -0.11 0.77 0.00 0.00 -0.40 0.00 0.00 41.96 42.23 1ulp s TYR 60 CO 0.29 -0.64 0.63 0.99 -1.57 0.00 0.00 175.55 175.25 1ulp s THR 61 N 2.67 4.89 -0.24 -0.71 2.01 -1.23 -1.93 115.64 121.11 1ulp s THR 61 Ca -0.07 0.59 -0.20 0.00 0.31 0.00 0.00 61.69 62.32 1ulp s THR 61 Cb -0.11 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1ulp s THR 61 CO -0.19 -0.31 0.63 -0.22 -0.69 0.00 0.00 174.62 173.84 1ulp s LEU 62 N 2.70 4.08 -0.08 4.42 2.96 -0.49 -4.13 118.68 128.14 1ulp s LEU 62 Ca 0.24 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.92 1ulp s LEU 62 Cb -0.14 -2.86 0.01 0.00 0.50 0.00 0.00 46.19 43.69 1ulp s LEU 62 CO 0.15 -0.35 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.07 1ulp s ARG 63 N 2.36 2.17 -0.25 1.98 3.52 -1.14 -2.89 118.95 124.70 1ulp s ARG 63 Ca 0.27 -0.58 -0.26 0.00 -0.13 0.00 0.00 55.73 55.02 1ulp s ARG 63 Cb -0.16 -1.72 0.14 0.00 -1.56 0.00 0.00 34.95 31.65 1ulp s ARG 63 CO 0.09 0.09 1.10 1.52 -0.81 0.00 0.00 175.30 177.29 1ulp s TYR 64 N 0.53 -0.36 -0.39 5.12 -0.85 -0.70 -1.98 117.35 118.71 1ulp s TYR 64 Ca -0.16 0.82 0.03 0.00 -0.52 0.00 0.00 57.07 57.24 1ulp s TYR 64 Cb -0.16 0.41 0.11 0.00 0.38 0.00 0.00 41.96 42.69 1ulp s TYR 64 CO 0.06 -0.22 0.12 0.99 -1.52 0.00 0.00 175.55 174.98 1ulp s THR 65 N -0.20 2.48 0.07 -3.49 2.01 -1.26 0.81 115.64 116.06 1ulp s THR 65 Ca 0.03 -2.55 -0.02 0.00 0.31 0.00 0.00 61.69 59.47 1ulp s THR 65 Cb -0.04 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1ulp s THR 65 CO -0.06 -0.66 0.24 0.00 -0.69 0.00 0.00 174.62 173.46 1ulp s ALA 66 N 0.64 3.95 -0.28 7.40 0.00 -0.94 -2.41 121.76 130.13 1ulp s ALA 66 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1ulp s ALA 66 Cb -0.21 -1.91 0.15 0.00 0.00 0.00 0.00 23.12 21.15 1ulp s ALA 66 CO -0.06 0.78 0.37 0.99 0.00 0.00 0.00 175.76 177.84 1ulp s THR 67 N -1.51 -0.56 -0.08 0.00 2.01 -0.92 -2.46 115.64 112.12 1ulp s THR 67 Ca 0.35 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 1ulp s THR 67 Cb -0.13 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1ulp s THR 67 CO 0.26 -0.30 0.56 0.00 -0.69 0.00 0.00 174.62 174.45 1ulp s ALA 68 N 2.49 3.44 0.58 7.40 0.00 -1.18 -2.69 121.76 131.80 1ulp s ALA 68 Ca 0.10 -0.06 0.35 0.00 0.00 0.00 0.00 51.96 52.35 1ulp s ALA 68 Cb -0.13 -2.75 1.30 0.00 0.00 0.00 0.00 23.12 21.54 1ulp s ALA 68 CO -0.28 0.02 1.52 0.66 0.00 0.00 0.00 175.76 177.68 1ulp h SER 69 N 6.47 0.00 -2.11 0.00 4.64 -1.72 -3.34 113.55 117.48 1ulp h SER 69 Ca -0.42 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.37 1ulp h SER 69 Cb 1.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 1ulp h SER 69 CO 0.74 0.00 -0.57 0.28 -0.87 0.00 0.00 176.83 176.41 1ulp s THR 70 N -4.64 3.70 -1.35 2.95 -1.32 -1.26 -4.46 115.64 109.27 1ulp s THR 70 Ca -0.04 -1.66 -0.17 0.00 -1.21 0.00 0.00 61.69 58.61 1ulp s THR 70 Cb 0.19 -3.08 0.06 0.00 -1.51 0.00 0.00 72.50 68.16 1ulp s THR 70 CO 0.64 -0.32 1.90 -0.67 -2.21 0.00 0.00 174.62 173.96 1ulp n ASP 71 N -1.07 4.60 -4.81 8.08 -0.08 -1.26 -3.72 116.55 118.28 1ulp n ASP 71 Ca -0.06 -2.90 -0.36 0.00 -1.51 0.00 0.00 54.79 49.96 1ulp n ASP 71 Cb 0.59 -1.72 -0.07 0.00 2.34 0.00 0.00 41.12 42.27 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ulp s VAL 72 N 3.84 5.45 -0.56 5.18 0.11 -1.22 -4.85 120.40 128.34 1ulp s VAL 72 Ca 0.51 0.22 0.04 0.00 -2.93 0.00 0.00 61.98 59.83 1ulp s VAL 72 Cb 0.07 -3.44 0.14 0.00 -1.53 0.00 0.00 36.38 31.62 1ulp s VAL 72 CO 0.02 0.54 0.32 -0.89 -3.33 0.00 0.00 175.10 171.77 1ulp s THR 73 N -0.42 2.55 0.00 5.04 2.01 -1.26 -1.40 115.64 122.16 1ulp s THR 73 Ca 0.12 -3.52 0.00 0.00 0.31 0.00 0.00 61.69 58.60 1ulp s THR 73 Cb -0.12 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1ulp s THR 73 CO 0.02 -0.87 0.00 1.33 -0.69 0.00 0.00 174.62 174.41 1ulp n VAL 74 N 2.82 0.00 -4.02 3.82 0.24 -1.26 -4.89 118.33 115.04 1ulp n VAL 74 Ca 0.10 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.13 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 1.98 1.70 0.30 7.34 1.81 -1.18 -3.60 118.95 127.30 1ulp s ARG 75 Ca 0.00 -0.33 0.11 0.00 -1.72 0.00 0.00 55.73 53.79 1ulp s ARG 75 Cb 0.00 -1.67 -0.05 0.00 -0.45 0.00 0.00 34.95 32.78 1ulp s ARG 75 CO 0.00 -0.22 -0.14 0.00 -0.68 0.00 0.00 175.30 174.25 1ulp s ALA 76 N 1.53 2.87 0.00 2.13 0.00 -0.39 -1.29 121.76 126.61 1ulp s ALA 76 Ca 0.02 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1ulp s ALA 76 Cb -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1ulp s ALA 76 CO -0.07 0.22 0.00 1.47 0.00 0.00 0.00 175.76 177.38 1ulp n LEU 77 N -0.71 0.00 -3.90 0.00 -0.00 -0.67 -2.80 117.00 108.92 1ulp n LEU 77 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.86 1ulp n LEU 77 Cb 0.61 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.97 1ulp n LEU 77 CO 0.40 0.00 0.05 -0.69 -0.00 0.00 0.00 177.39 177.15 1ulp s VAL 78 N -3.12 0.06 0.00 1.47 1.01 -1.26 -1.86 120.40 116.70 1ulp s VAL 78 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1ulp s VAL 78 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1ulp s VAL 78 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1ulp n GLY 79 N -0.24 1.15 3.04 4.51 0.00 -1.18 -3.11 105.19 109.36 1ulp n GLY 79 Ca -0.08 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.03 2.66 -0.56 1.61 2.00 -1.18 -2.33 119.66 120.82 1ulp s GLN 80 Ca 0.00 -2.89 -0.26 0.00 -2.00 0.00 0.00 55.36 50.21 1ulp s GLN 80 Cb 0.00 -3.68 -0.04 0.00 0.80 0.00 0.00 33.01 30.09 1ulp s GLN 80 CO 0.00 -1.21 2.08 -0.80 -0.50 0.00 0.00 175.29 174.86 1ulp s ASN 81 N -0.05 4.95 0.00 6.67 0.01 0.57 -3.65 114.94 123.43 1ulp s ASN 81 Ca 0.21 0.64 0.00 0.00 -0.71 0.00 0.00 52.86 53.00 1ulp s ASN 81 Cb -0.15 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1ulp s ASN 81 CO -0.07 -2.57 0.00 0.61 -1.51 0.00 0.00 177.10 173.55 1ulp n GLY 82 N 5.82 -0.32 0.00 0.66 0.00 -1.26 0.12 105.19 110.21 1ulp n GLY 82 Ca 0.27 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 0.00 0.16 4.61 0.00 -1.25 -4.48 120.51 119.55 1ulp n ALA 83 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1ulp n ALA 83 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.34 1.31 -0.31 0.00 -0.04 -1.26 -5.06 135.00 129.31 1ulp n PRO 84 Ca 0.00 -0.70 0.04 0.00 -0.04 0.00 0.00 63.50 62.80 1ulp n PRO 84 Cb 0.00 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.35 -2.19 0.00 0.54 4.01 -1.24 -5.03 117.16 113.61 1ulp n TYR 85 Ca 0.14 0.38 0.00 0.00 -0.16 0.00 0.00 57.90 58.26 1ulp n TYR 85 Cb 0.70 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulp n GLY 86 N -0.95 2.09 3.83 2.72 0.00 -1.26 -4.69 105.19 106.94 1ulp n GLY 86 Ca 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1ulp n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 87 N 0.00 4.81 0.00 2.61 -4.23 -1.26 -3.12 115.64 114.45 1ulp s THR 87 Ca 0.00 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1ulp s THR 87 Cb 0.00 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.06 1ulp s THR 87 CO 0.00 0.32 0.00 1.33 -0.54 0.00 0.00 174.62 175.73 1ulp n VAL 88 N 1.04 0.00 -4.26 2.29 0.24 -1.18 -4.81 118.33 111.65 1ulp n VAL 88 Ca -0.07 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.34 61.76 1ulp n VAL 88 Cb 0.51 0.58 -0.09 0.00 -1.47 0.00 0.00 33.84 33.38 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 -2.17 3.76 -0.34 1.34 1.02 -1.25 -4.81 118.68 116.23 1ulp s LEU 89 Ca 0.00 0.22 0.03 0.00 0.02 0.00 0.00 54.13 54.40 1ulp s LEU 89 Cb 0.00 -1.87 0.16 0.00 0.02 0.00 0.00 46.19 44.49 1ulp s LEU 89 CO 0.00 0.38 0.41 -1.81 0.02 0.00 0.00 176.35 175.35 1ulp s ASP 90 N -0.90 0.65 0.20 2.29 1.01 -1.26 -3.98 116.67 114.68 1ulp s ASP 90 Ca 0.13 -1.03 -0.08 0.00 0.71 0.00 0.00 52.55 52.29 1ulp s ASP 90 Cb -0.11 0.89 0.03 0.00 1.01 0.00 0.00 42.92 44.74 1ulp s ASP 90 CO 0.03 -0.29 0.41 0.35 0.21 0.00 0.00 175.17 175.87 1ulp n THR 91 N 4.72 0.00 -4.74 -1.27 -2.24 -1.12 -5.07 114.28 104.56 1ulp n THR 91 Ca 0.06 -0.51 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 1ulp n THR 91 Cb 0.48 0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 69.05 1ulp n THR 91 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ulp s SER 92 N -2.07 2.32 -1.18 3.42 1.04 -1.26 -1.26 113.70 114.72 1ulp s SER 92 Ca 0.08 -0.41 -0.20 0.00 0.48 0.00 0.00 55.95 55.90 1ulp s SER 92 Cb -0.03 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.00 1ulp s SER 92 CO 0.06 0.07 1.91 -0.81 0.98 0.00 0.00 173.24 175.44 1ulp n PRO 93 N 3.82 2.21 -1.60 4.02 -0.04 -1.24 -4.87 135.00 137.31 1ulp n PRO 93 Ca -0.21 -2.62 -0.46 0.00 -0.04 0.00 0.00 63.50 60.17 1ulp n PRO 93 Cb 0.52 -3.46 -0.03 0.00 -0.04 0.00 0.00 33.50 30.49 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 10.38 -0.14 -2.27 0.55 0.00 -1.26 -4.26 120.51 123.51 1ulp n ALA 94 Ca 0.48 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 54.20 1ulp n ALA 94 Cb 0.44 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.71 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 0.43 1.71 0.00 0.00 1.43 -0.49 -4.93 118.68 116.82 1ulp s LEU 95 Ca 0.67 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1ulp s LEU 95 Cb -0.75 0.07 0.00 0.00 0.03 0.00 0.00 46.19 45.53 1ulp s LEU 95 CO 0.54 -0.70 0.00 1.07 0.23 0.00 0.00 176.35 177.49 1ulp n THR 96 N -0.35 0.00 0.04 5.49 5.66 -1.24 -3.41 114.28 120.46 1ulp n THR 96 Ca -0.02 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.94 1ulp n THR 96 Cb 0.65 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.34 1ulp n THR 96 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1ulp h SER 97 N 0.00 0.00 -2.58 1.09 0.87 -1.78 -3.13 113.55 108.02 1ulp h SER 97 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 1ulp h SER 97 Cb 0.00 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.05 1ulp h SER 97 CO 0.00 0.82 0.15 -1.61 -0.53 0.00 0.00 176.83 175.66 1ulp s GLU 98 N -2.76 1.64 0.17 2.24 8.01 -1.26 -4.94 118.70 121.80 1ulp s GLU 98 Ca -0.01 -0.91 -0.30 0.00 0.01 0.00 0.00 54.97 53.75 1ulp s GLU 98 Cb 0.09 -2.26 -0.08 0.00 -4.31 0.00 0.00 34.13 27.57 1ulp s GLU 98 CO 0.81 -1.51 1.23 -1.25 0.01 0.00 0.00 175.26 174.55 1ulp s PRO 99 N -5.23 4.45 -0.64 0.39 0.04 -1.26 -4.72 135.00 128.04 1ulp s PRO 99 Ca 0.66 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.65 1ulp s PRO 99 Cb -0.06 -3.24 0.16 0.00 0.04 0.00 0.00 34.50 31.39 1ulp s PRO 99 CO 0.45 -0.16 0.42 1.03 0.04 0.00 0.00 177.00 178.78 1ulp s ARG 100 N 0.02 2.32 0.69 4.56 0.52 -1.03 -5.02 118.95 121.01 1ulp s ARG 100 Ca 0.55 -3.07 -0.14 0.00 -0.52 0.00 0.00 55.73 52.55 1ulp s ARG 100 Cb -0.33 -3.41 0.02 0.00 0.52 0.00 0.00 34.95 31.74 1ulp s ARG 100 CO 0.36 -1.22 1.11 -0.65 0.02 0.00 0.00 175.30 174.92 1ulp s GLN 101 N -1.00 2.61 -0.03 3.54 -0.21 -1.26 -2.21 119.66 121.10 1ulp s GLN 101 Ca 0.22 1.38 0.02 0.00 0.02 0.00 0.00 55.36 57.00 1ulp s GLN 101 Cb -0.13 -1.93 0.01 0.00 1.00 0.00 0.00 33.01 31.97 1ulp s GLN 101 CO -0.10 -1.40 -0.07 0.08 -2.12 0.00 0.00 175.29 171.68 1ulp s VAL 102 N -2.42 0.65 -0.23 1.09 1.01 0.24 -4.89 120.40 115.85 1ulp s VAL 102 Ca 0.66 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1ulp s VAL 102 Cb -0.21 -0.61 0.12 0.00 0.00 0.00 0.00 36.38 35.68 1ulp s VAL 102 CO 0.45 0.22 0.36 0.42 0.00 0.00 0.00 175.10 176.55 1ulp s THR 103 N 0.45 -0.56 -0.00 3.92 -4.23 -1.25 -2.27 115.64 111.70 1ulp s THR 103 Ca -0.07 -0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 60.21 1ulp s THR 103 Cb -0.10 -0.76 0.04 0.00 1.34 0.00 0.00 72.50 73.01 1ulp s THR 103 CO 0.00 -0.10 0.44 -1.61 -0.54 0.00 0.00 174.62 172.82 1ulp s GLU 104 N 2.52 0.86 -0.22 3.99 2.02 -1.14 -5.00 118.70 121.72 1ulp s GLU 104 Ca 0.10 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 1ulp s GLU 104 Cb -0.15 0.39 -0.02 0.00 0.10 0.00 0.00 34.13 34.45 1ulp s GLU 104 CO -0.15 -0.27 0.02 0.99 0.02 0.00 0.00 175.26 175.87 1ulp s THR 105 N -1.68 3.96 0.12 3.63 2.01 -1.26 -1.40 115.64 121.02 1ulp s THR 105 Ca -0.10 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.67 1ulp s THR 105 Cb -0.02 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1ulp s THR 105 CO 0.04 0.40 -0.16 0.72 -0.69 0.00 0.00 174.62 174.92 1ulp s PHE 106 N 1.31 1.53 -0.80 4.92 -0.12 -0.81 -4.93 117.98 119.07 1ulp s PHE 106 Ca 0.04 -0.50 -0.20 0.00 -0.05 0.00 0.00 56.93 56.22 1ulp s PHE 106 Cb -0.15 -0.80 0.11 0.00 -0.63 0.00 0.00 43.02 41.55 1ulp s PHE 106 CO 0.01 0.18 1.02 0.99 -0.05 0.00 0.00 175.22 177.37 1ulp s THR 107 N -1.83 4.64 -0.66 -4.49 2.01 -1.26 -0.93 115.64 113.11 1ulp s THR 107 Ca 0.08 -1.16 -0.27 0.00 0.31 0.00 0.00 61.69 60.65 1ulp s THR 107 Cb -0.07 -4.71 -0.12 0.00 0.01 0.00 0.00 72.50 67.61 1ulp s THR 107 CO 0.04 -1.44 2.50 0.00 -0.69 0.00 0.00 174.62 175.03 1ulp n ALA 108 N 6.82 0.62 -1.52 7.40 0.00 0.32 -4.59 120.51 129.56 1ulp n ALA 108 Ca 0.11 -0.76 -0.31 0.00 0.00 0.00 0.00 53.44 52.48 1ulp n ALA 108 Cb 0.47 -2.92 -0.06 0.00 0.00 0.00 0.00 19.45 16.94 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 14.28 7.31 0.00 0.00 3.41 -1.26 -1.78 113.62 135.58 1ulp n SER 109 Ca 0.47 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 1ulp n SER 109 Cb 0.38 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 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 2.11 0.00 -3.49 7.33 0.00 -0.96 -4.79 120.51 120.71 1ulp n ALA 110 Ca 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 54.02 1ulp n ALA 110 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.26 -0.92 -0.32 0.00 2.01 -1.26 0.13 115.64 114.03 1ulp s THR 111 Ca 0.00 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 1ulp s THR 111 Cb 0.00 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.62 1ulp s THR 111 CO 0.00 0.00 0.05 -0.31 -0.69 0.00 0.00 174.62 173.67 1ulp s TYR 112 N 2.82 3.26 -0.79 4.92 2.02 0.07 -4.63 117.35 125.02 1ulp s TYR 112 Ca 0.04 -1.66 -0.26 0.00 -0.37 0.00 0.00 57.07 54.82 1ulp s TYR 112 Cb -0.13 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 1ulp s TYR 112 CO -0.18 -0.77 1.59 -1.25 -1.57 0.00 0.00 175.55 173.36 1ulp s PRO 113 N 1.32 3.01 0.62 -1.71 0.04 -1.26 -1.86 135.00 135.16 1ulp s PRO 113 Ca -0.03 -0.20 0.25 0.00 0.04 0.00 0.00 61.00 61.05 1ulp s PRO 113 Cb -0.20 -4.64 1.14 0.00 0.04 0.00 0.00 34.50 30.84 1ulp s PRO 113 CO 0.01 -2.53 1.59 0.00 0.04 0.00 0.00 177.00 176.11 1ulp h ALA 114 N 11.55 2.31 -2.75 8.56 0.00 -0.67 -3.35 119.26 134.90 1ulp h ALA 114 Ca -0.11 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 1ulp h ALA 114 Cb 1.06 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.73 1ulp h ALA 114 CO 1.28 -1.06 -0.39 0.95 0.00 0.00 0.00 179.25 180.03 1ulp s THR 115 N -4.40 5.24 0.00 0.00 -4.23 -1.26 -4.67 115.64 106.31 1ulp s THR 115 Ca -0.03 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1ulp s THR 115 Cb 0.12 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1ulp s THR 115 CO 0.42 0.09 0.00 -0.81 -0.54 0.00 0.00 174.62 173.78 1ulp n PRO 116 N 5.21 0.73 -2.18 3.99 -0.04 -1.26 -4.87 135.00 136.58 1ulp n PRO 116 Ca -0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.31 1ulp n PRO 116 Cb 0.51 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 1ulp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 117 N -3.00 -0.06 1.06 0.55 0.00 0.16 -4.97 120.51 114.24 1ulp n ALA 117 Ca 0.00 -0.39 0.14 0.00 0.00 0.00 0.00 53.44 53.18 1ulp n ALA 117 Cb 0.00 0.32 0.56 0.00 0.00 0.00 0.00 19.45 20.32 1ulp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp n ALA 118 N -2.45 2.61 -1.97 0.00 0.00 -1.26 -4.12 120.51 113.32 1ulp n ALA 118 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1ulp n ALA 118 Cb 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1ulp n ALA 118 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ulp n ASP 119 N -1.45 0.00 -3.74 0.00 8.00 -1.26 -5.10 116.55 113.00 1ulp n ASP 119 Ca 0.08 -1.22 -0.12 0.00 0.71 0.00 0.00 54.79 54.24 1ulp n ASP 119 Cb 0.33 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.22 -0.32 0.00 -2.24 1.01 -1.26 -5.13 116.67 108.51 1ulp s ASP 120 Ca 0.00 0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.86 1ulp s ASP 120 Cb 0.00 0.52 0.00 0.00 1.01 0.00 0.00 42.92 44.45 1ulp s ASP 120 CO 0.00 -0.15 0.00 -0.81 0.21 0.00 0.00 175.17 174.42 1ulp n PRO 121 N 3.87 2.48 0.00 8.23 -0.04 -1.26 -0.67 135.00 147.61 1ulp n PRO 121 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1ulp n PRO 121 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1ulp n PRO 121 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ulp n GLU 122 N 0.00 0.00 -3.39 0.54 0.28 0.33 -4.65 120.64 113.75 1ulp n GLU 122 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 1ulp n GLU 122 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 123 N 0.00 2.35 0.00 -1.84 0.00 -1.26 0.21 107.32 106.78 1ulp s GLY 123 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1ulp s GLY 123 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.69 1ulp n GLN 124 N 0.21 0.00 -5.08 2.90 10.64 -0.99 -3.06 117.38 122.01 1ulp n GLN 124 Ca -0.02 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.84 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 -1.16 2.38 -0.18 -0.39 1.01 -1.10 -3.09 121.20 118.67 1ulp s ILE 125 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1ulp s ILE 125 Cb 0.00 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1ulp s ILE 125 CO 0.00 0.52 -0.16 0.00 0.00 0.00 0.00 174.94 175.30 1ulp s ALA 126 N -0.70 2.45 -0.51 9.38 0.00 -0.78 -3.07 121.76 128.53 1ulp s ALA 126 Ca 0.11 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1ulp s ALA 126 Cb -0.10 -1.27 0.13 0.00 0.00 0.00 0.00 23.12 21.88 1ulp s ALA 126 CO 0.01 -0.26 0.26 -0.06 0.00 0.00 0.00 175.76 175.70 1ulp s PHE 127 N 1.17 3.27 -0.83 0.00 0.40 -0.75 -1.67 117.98 119.58 1ulp s PHE 127 Ca 0.02 -3.10 -0.20 0.00 -0.60 0.00 0.00 56.93 53.04 1ulp s PHE 127 Cb -0.14 -2.88 0.10 0.00 0.51 0.00 0.00 43.02 40.61 1ulp s PHE 127 CO -0.07 -0.78 1.08 -0.65 0.70 0.00 0.00 175.22 175.50 1ulp s GLN 128 N -0.13 3.40 -0.40 0.44 -0.21 -0.41 -0.51 119.66 121.84 1ulp s GLN 128 Ca 0.16 -1.37 -0.02 0.00 0.02 0.00 0.00 55.36 54.15 1ulp s GLN 128 Cb -0.25 -4.68 0.17 0.00 1.00 0.00 0.00 33.01 29.26 1ulp s GLN 128 CO -0.01 -1.81 2.33 1.28 -2.12 0.00 0.00 175.29 174.96 1ulp n LEU 129 N 7.10 6.58 -4.62 2.90 4.77 0.19 -3.07 117.00 130.85 1ulp n LEU 129 Ca 0.13 -3.70 -0.43 0.00 -0.03 0.00 0.00 56.01 51.99 1ulp n LEU 129 Cb 0.48 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 1ulp n LEU 129 CO 0.57 1.46 0.84 -0.83 -1.33 0.00 0.00 177.39 178.10 1ulp s GLY 130 N 0.09 1.57 -0.00 -0.72 0.00 -1.02 -2.77 107.32 104.46 1ulp s GLY 130 Ca 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 44.72 44.91 1ulp s GLY 130 CO -0.10 2.12 0.00 0.61 0.00 0.00 0.00 173.10 175.73 1ulp n GLY 131 N 4.13 -0.08 2.01 0.20 0.00 -0.78 -4.87 105.19 105.80 1ulp n GLY 131 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.67 -1.12 -2.43 1.61 3.72 -1.26 -5.00 117.46 114.65 1ulp n PHE 132 Ca -0.00 0.18 -0.24 0.00 -0.05 0.00 0.00 57.45 57.33 1ulp n PHE 132 Cb 0.34 0.69 0.10 0.00 -0.94 0.00 0.00 39.48 39.68 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 -4.47 4.39 0.00 4.37 0.15 -1.26 -4.69 113.70 112.19 1ulp s SER 133 Ca 0.00 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1ulp s SER 133 Cb 0.00 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 1ulp s SER 133 CO 0.00 -1.84 0.00 0.00 1.20 0.00 0.00 173.24 172.60 1ulp n ALA 134 N -2.91 0.00 -0.95 5.45 0.00 -1.26 -3.76 120.51 117.08 1ulp n ALA 134 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.50 1ulp n ALA 134 Cb 0.60 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.14 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ulp n ASP 135 N -0.10 -1.75 -4.81 0.00 8.00 -1.26 0.12 116.55 116.74 1ulp n ASP 135 Ca 0.00 -0.62 -0.34 0.00 0.71 0.00 0.00 54.79 54.55 1ulp n ASP 135 Cb 0.00 -0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ulp s ALA 136 N -2.75 3.03 0.00 2.24 0.00 -1.26 -1.79 121.76 121.23 1ulp s ALA 136 Ca 0.24 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1ulp s ALA 136 Cb -0.03 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1ulp s ALA 136 CO 0.19 0.04 0.00 -2.67 0.00 0.00 0.00 175.76 173.32 1ulp n TRP 137 N -0.56 -0.00 -3.82 0.00 2.14 0.05 -4.86 117.44 110.40 1ulp n TRP 137 Ca 0.07 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.55 1ulp n TRP 137 Cb 0.53 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.05 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 -2.18 0.00 -0.10 -1.67 2.01 -1.26 -0.94 115.64 111.50 1ulp s THR 138 Ca 0.00 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 1ulp s THR 138 Cb 0.00 -2.85 0.04 0.00 0.01 0.00 0.00 72.50 69.71 1ulp s THR 138 CO 0.00 0.00 0.07 -0.76 -0.69 0.00 0.00 174.62 173.24 1ulp s LEU 139 N -3.07 0.24 -0.45 4.42 1.02 -1.14 -3.73 118.68 115.97 1ulp s LEU 139 Ca 0.16 -0.23 -0.12 0.00 0.02 0.00 0.00 54.13 53.95 1ulp s LEU 139 Cb -0.05 -0.19 0.08 0.00 0.02 0.00 0.00 46.19 46.05 1ulp s LEU 139 CO 0.12 -0.29 0.34 0.00 0.02 0.00 0.00 176.35 176.53 1ulp n LEU 141 N 5.06 0.00 0.00 0.00 4.77 -1.08 -2.17 117.00 123.59 1ulp n LEU 141 Ca -0.11 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1ulp n LEU 141 Cb 0.43 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1ulp n LEU 141 CO 0.44 -1.01 0.00 -0.90 -1.33 0.00 0.00 177.39 174.59 1ulp n ASP 142 N -3.07 0.00 0.00 -1.43 5.68 -1.01 -2.77 116.55 113.95 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 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 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 -4.59 -1.12 8.00 0.23 -3.97 116.55 115.10 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 4.86 -0.11 2.53 1.01 -1.21 -1.73 120.40 125.75 1ulp s VAL 144 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 61.98 62.70 1ulp s VAL 144 Cb 0.00 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ulp s VAL 144 CO 0.00 -0.27 0.30 0.00 0.00 0.00 0.00 175.10 175.13 1ulp s ALA 145 N 2.78 -0.73 0.10 5.51 0.00 -0.84 -1.99 121.76 126.59 1ulp s ALA 145 Ca 0.27 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.13 1ulp s ALA 145 Cb -0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1ulp s ALA 145 CO 0.14 -0.14 -0.14 -1.17 0.00 0.00 0.00 175.76 174.44 1ulp s LEU 146 N 0.18 2.35 0.00 0.00 2.96 -1.26 -2.86 118.68 120.04 1ulp s LEU 146 Ca -0.00 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 53.08 1ulp s LEU 146 Cb -0.02 -0.53 0.04 0.00 0.50 0.00 0.00 46.19 46.17 1ulp s LEU 146 CO 0.00 -0.12 0.49 0.47 -1.32 0.00 0.00 176.35 175.88 1ulp n ASP 147 N 0.85 -1.28 -3.87 3.68 9.92 -1.26 -4.98 116.55 119.61 1ulp n ASP 147 Ca -0.18 -1.84 -0.30 0.00 -0.53 0.00 0.00 54.79 51.94 1ulp n ASP 147 Cb 0.56 2.12 -0.16 0.00 -0.64 0.00 0.00 41.12 43.00 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1ulp s SER 148 N -2.26 3.67 0.47 -2.24 1.04 -1.26 -3.51 113.70 109.61 1ulp s SER 148 Ca 0.10 -1.18 0.01 0.00 0.48 0.00 0.00 55.95 55.36 1ulp s SER 148 Cb -0.03 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.09 1ulp s SER 148 CO 0.06 -0.28 0.69 -0.70 0.98 0.00 0.00 173.24 173.99 1ulp s GLU 149 N 1.52 2.97 -0.61 4.02 2.12 -1.25 -4.98 118.70 122.50 1ulp s GLU 149 Ca -0.02 -0.54 0.04 0.00 0.36 0.00 0.00 54.97 54.81 1ulp s GLU 149 Cb -0.18 -2.55 0.17 0.00 0.26 0.00 0.00 34.13 31.82 1ulp s GLU 149 CO -0.09 -0.35 0.43 0.54 -0.54 0.00 0.00 175.26 175.25 1ulp s VAL 150 N -2.59 2.15 -0.10 3.70 0.11 -1.26 -4.30 120.40 118.11 1ulp s VAL 150 Ca 0.50 -3.72 0.00 0.00 -2.93 0.00 0.00 61.98 55.83 1ulp s VAL 150 Cb -0.10 -2.43 -0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1ulp s VAL 150 CO 0.38 -1.05 -0.10 -0.70 -3.33 0.00 0.00 175.10 170.31 1ulp s GLU 151 N -0.91 3.06 0.00 1.54 2.12 -1.26 -5.19 118.70 118.07 1ulp s GLU 151 Ca 0.26 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.01 1ulp s GLU 151 Cb -0.05 -2.62 0.03 0.00 0.26 0.00 0.00 34.13 31.75 1ulp s GLU 151 CO -0.15 0.44 0.60 -0.11 -0.54 0.00 0.00 175.26 175.50