#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 0.00 -3.20 0.00 2.88 -1.26 -5.10 113.62 106.93 1ulp n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ulp n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ulp n PRO 3 N 0.00 1.64 -0.02 -1.46 -0.04 -1.26 -4.19 135.00 129.66 1ulp n PRO 3 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1ulp n PRO 3 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 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 -0.13 1.72 0.00 0.52 -5.35 -1.23 -4.72 119.36 110.17 1ulp n ILE 4 Ca 0.00 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1ulp n ILE 4 Cb 0.00 -1.82 0.00 0.00 -1.74 0.00 0.00 39.64 36.08 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 1.84 0.11 3.51 3.28 0.00 -1.26 -4.86 105.19 107.80 1ulp n GLY 5 Ca -0.32 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 0.11 -3.63 1.61 0.28 -1.25 -4.71 120.64 113.05 1ulp n GLU 6 Ca 0.00 -0.06 -0.07 0.00 -0.16 0.00 0.00 57.16 56.87 1ulp n GLU 6 Cb 0.00 -1.57 -0.06 0.00 1.43 0.00 0.00 31.44 31.24 1ulp n GLU 6 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 7 N 5.44 -0.01 1.10 -1.84 0.00 -1.26 -4.92 107.32 105.82 1ulp s GLY 7 Ca 1.29 2.76 -0.15 0.00 0.00 0.00 0.00 44.72 48.62 1ulp s GLY 7 CO 0.48 1.56 0.42 -1.30 0.00 0.00 0.00 173.10 174.26 1ulp n THR 8 N 1.44 0.00 -1.82 0.90 -2.24 -1.26 -3.82 114.28 107.48 1ulp n THR 8 Ca -0.10 -0.30 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 1ulp n THR 8 Cb 0.57 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 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 -4.43 2.20 -1.37 4.78 3.72 -1.10 -4.64 117.46 116.61 1ulp n PHE 9 Ca 0.03 -2.42 -0.32 0.00 -0.05 0.00 0.00 57.45 54.68 1ulp n PHE 9 Cb 0.58 -1.59 0.09 0.00 -0.94 0.00 0.00 39.48 37.62 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 1.20 6.92 0.00 4.37 5.75 -1.26 -2.56 116.55 130.97 1ulp n ASP 10 Ca 0.56 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1ulp n ASP 10 Cb 0.37 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 1ulp n ASP 10 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ulp n ASP 11 N -0.94 0.00 -2.45 -1.12 8.00 -1.26 -4.86 116.55 113.92 1ulp n ASP 11 Ca 0.61 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 56.08 1ulp n ASP 11 Cb 0.81 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.90 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulp n GLY 12 N 0.00 -4.48 3.50 0.44 0.00 -1.26 -4.75 105.19 98.64 1ulp n GLY 12 Ca 0.00 0.88 -0.34 0.00 0.00 0.00 0.00 46.02 46.56 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 0.98 2.02 0.00 1.61 -0.04 -1.26 -4.83 135.00 133.48 1ulp n PRO 13 Ca -0.17 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1ulp n PRO 13 Cb 0.27 -3.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.15 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 8.09 0.00 -0.74 0.54 -0.58 -1.26 -1.62 120.64 125.07 1ulp n GLU 14 Ca 0.47 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 57.18 1ulp n GLU 14 Cb 0.45 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.29 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 0.77 3.53 0.62 0.00 -1.26 -5.06 105.19 103.79 1ulp n GLY 15 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 0.01 0.90 -3.42 1.61 7.02 -0.64 -4.55 117.44 118.37 1ulp n TRP 16 Ca -0.12 -0.04 -0.34 0.00 -1.02 0.00 0.00 57.50 55.98 1ulp n TRP 16 Cb 0.61 -2.21 -0.06 0.00 -2.42 0.00 0.00 31.31 27.23 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 12.47 4.93 -0.03 -0.99 -7.23 -1.02 -4.91 120.40 123.62 1ulp s VAL 17 Ca 0.94 0.62 0.03 0.00 -1.81 0.00 0.00 61.98 61.75 1ulp s VAL 17 Cb -0.22 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.04 1ulp s VAL 17 CO 0.17 0.13 -0.12 0.00 -0.31 0.00 0.00 175.10 174.98 1ulp s ALA 18 N -1.58 1.09 0.33 1.32 0.00 -1.26 -0.66 121.76 121.00 1ulp s ALA 18 Ca 0.40 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1ulp s ALA 18 Cb -0.13 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 1ulp s ALA 18 CO 0.20 0.18 -0.01 1.52 0.00 0.00 0.00 175.76 177.65 1ulp s TYR 19 N 0.15 2.15 -0.31 0.00 1.13 -0.52 -4.54 117.35 115.42 1ulp s TYR 19 Ca -0.03 -0.75 -0.01 0.00 -1.41 0.00 0.00 57.07 54.87 1ulp s TYR 19 Cb -0.10 -1.37 0.00 0.00 -1.10 0.00 0.00 41.96 39.40 1ulp s TYR 19 CO 0.01 0.28 0.26 0.41 -2.51 0.00 0.00 175.55 174.00 1ulp n GLY 20 N -0.74 0.47 0.00 5.49 0.00 -1.26 -2.44 105.19 106.72 1ulp n GLY 20 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.58 0.00 -2.90 2.61 -2.24 -1.26 -4.51 114.28 103.39 1ulp n THR 21 Ca -0.02 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.32 1ulp n THR 21 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1ulp n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ulp n ASP 22 N 0.00 5.48 0.00 3.42 -0.08 -1.22 -4.95 116.55 119.20 1ulp n ASP 22 Ca 0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1ulp n ASP 22 Cb 0.00 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.01 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ulp n GLY 23 N 2.96 -2.18 3.78 0.27 0.00 -1.26 -4.92 105.19 103.84 1ulp n GLY 23 Ca 0.33 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.21 2.04 0.00 1.61 0.04 -1.26 -4.91 135.00 132.31 1ulp s PRO 24 Ca 0.00 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1ulp s PRO 24 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1ulp s PRO 24 CO 0.00 -1.69 0.00 1.47 0.04 0.00 0.00 177.00 176.82 1ulp n LEU 25 N -3.50 0.00 -3.53 -3.56 -0.00 -1.26 -4.86 117.00 100.29 1ulp n LEU 25 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.93 1ulp n LEU 25 Cb 0.55 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.92 1ulp n LEU 25 CO 0.56 -1.07 0.53 -0.62 -0.00 0.00 0.00 177.39 176.79 1ulp s ASP 26 N -1.59 -0.57 0.00 1.45 2.15 -1.08 -5.02 116.67 112.00 1ulp s ASP 26 Ca 0.00 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.55 1ulp s ASP 26 Cb 0.00 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 1ulp s ASP 26 CO 0.00 -0.57 0.00 0.35 -0.17 0.00 0.00 175.17 174.78 1ulp n THR 27 N 0.75 0.00 -2.17 1.71 -2.24 -1.26 -1.70 114.28 109.37 1ulp n THR 27 Ca -0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1ulp n THR 27 Cb 0.58 -0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.38 -0.94 -1.00 3.42 7.64 -1.26 -4.48 113.62 115.62 1ulp n SER 28 Ca 0.00 0.38 -0.05 0.00 1.01 0.00 0.00 58.87 60.21 1ulp n SER 28 Cb 0.00 -1.02 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 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 -2.21 0.00 -2.27 0.44 5.66 -1.26 -4.96 114.28 109.68 1ulp n THR 29 Ca -0.01 -0.06 -0.14 0.00 -3.05 0.00 0.00 64.05 60.80 1ulp n THR 29 Cb 0.40 0.42 -0.02 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.09 -0.21 3.30 1.09 0.00 -1.16 -4.91 105.19 103.21 1ulp n GLY 30 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.60 -0.48 -0.54 4.61 0.00 -1.06 -2.73 121.76 118.96 1ulp s ALA 31 Ca 0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1ulp s ALA 31 Cb 0.00 0.66 0.14 0.00 0.00 0.00 0.00 23.12 23.92 1ulp s ALA 31 CO 0.00 -0.61 0.43 -1.17 0.00 0.00 0.00 175.76 174.41 1ulp s LEU 32 N -2.86 5.87 -0.28 0.00 2.96 -1.12 -4.11 118.68 119.13 1ulp s LEU 32 Ca 0.07 -2.07 -0.07 0.00 -0.22 0.00 0.00 54.13 51.84 1ulp s LEU 32 Cb 0.03 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 1ulp s LEU 32 CO -0.08 -0.68 0.08 0.00 -1.32 0.00 0.00 176.35 174.34 1ulp s VAL 34 N 1.54 4.81 -0.95 0.00 -7.23 -0.56 -2.64 120.40 115.37 1ulp s VAL 34 Ca 0.04 -0.11 -0.19 0.00 -1.81 0.00 0.00 61.98 59.91 1ulp s VAL 34 Cb -0.17 -3.08 0.13 0.00 0.56 0.00 0.00 36.38 33.82 1ulp s VAL 34 CO 0.03 0.57 1.16 0.00 -0.31 0.00 0.00 175.10 176.55 1ulp s ALA 35 N -0.99 3.36 0.21 1.32 0.00 -1.26 -2.73 121.76 121.67 1ulp s ALA 35 Ca 0.16 -2.77 -0.30 0.00 0.00 0.00 0.00 51.96 49.05 1ulp s ALA 35 Cb -0.12 -4.08 -0.09 0.00 0.00 0.00 0.00 23.12 18.84 1ulp s ALA 35 CO 0.05 -3.01 1.22 0.08 0.00 0.00 0.00 175.76 174.10 1ulp s VAL 36 N 2.76 3.40 0.53 0.00 1.01 -0.71 -3.39 120.40 124.01 1ulp s VAL 36 Ca 0.34 1.21 -0.09 0.00 0.00 0.00 0.00 61.98 63.44 1ulp s VAL 36 Cb -0.04 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.70 1ulp s VAL 36 CO -0.09 0.21 0.43 -0.81 0.00 0.00 0.00 175.10 174.84 1ulp n PRO 37 N 2.26 -2.18 -2.28 2.72 -0.04 -1.26 -2.55 135.00 131.68 1ulp n PRO 37 Ca 0.04 -0.70 -0.43 0.00 -0.04 0.00 0.00 63.50 62.37 1ulp n PRO 37 Cb 0.44 -0.70 -0.02 0.00 -0.04 0.00 0.00 33.50 33.18 1ulp n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp s ALA 38 N -2.80 3.57 -0.76 0.55 0.00 -1.26 -3.35 121.76 117.71 1ulp s ALA 38 Ca 0.29 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1ulp s ALA 38 Cb -0.03 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1ulp s ALA 38 CO 0.23 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1ulp n GLY 39 N 3.96 0.68 2.75 0.00 0.00 0.12 -3.45 105.19 109.25 1ulp n GLY 39 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1ulp n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ulp n SER 40 N -0.10 0.01 -1.42 1.61 7.64 -1.21 -3.92 113.62 116.23 1ulp n SER 40 Ca -0.07 -0.33 -0.06 0.00 1.01 0.00 0.00 58.87 59.42 1ulp n SER 40 Cb 0.39 -0.41 0.12 0.00 -1.01 0.00 0.00 64.21 63.29 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ulp n ALA 41 N -1.76 3.65 -1.60 -0.43 0.00 -1.22 0.68 120.51 119.83 1ulp n ALA 41 Ca -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1ulp n ALA 41 Cb 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ulp n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp n GLN 42 N -0.07 3.17 0.21 0.00 10.64 -1.26 -4.85 117.38 125.21 1ulp n GLN 42 Ca 0.22 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.51 1ulp n GLN 42 Cb 0.92 0.00 0.64 0.00 -0.86 0.00 0.00 30.24 30.94 1ulp n GLN 42 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 1ulp h TYR 43 N 0.00 0.00 0.00 2.61 -0.00 -1.98 -3.45 116.97 114.14 1ulp h TYR 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ulp h TYR 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1ulp h TYR 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1ulp n GLY 44 N -1.25 3.59 3.99 0.10 0.00 -1.26 -5.04 105.19 105.32 1ulp n GLY 44 Ca -0.02 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 2.04 -4.00 1.61 1.01 -1.14 -4.66 120.40 115.26 1ulp s VAL 45 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1ulp s VAL 45 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.84 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 -3.05 -2.01 3.26 4.51 0.00 -1.02 -0.67 105.19 106.21 1ulp n GLY 46 Ca 0.16 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.47 -0.02 -0.09 1.61 1.01 0.28 -1.44 120.40 119.28 1ulp s VAL 47 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1ulp s VAL 47 Cb 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 1ulp s VAL 47 CO 0.00 0.03 -0.24 0.68 0.00 0.00 0.00 175.10 175.57 1ulp s VAL 48 N 1.22 2.09 -0.27 2.92 -7.23 0.17 -1.55 120.40 117.74 1ulp s VAL 48 Ca -0.08 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1ulp s VAL 48 Cb -0.08 -1.78 0.08 0.00 0.56 0.00 0.00 36.38 35.16 1ulp s VAL 48 CO -0.10 0.56 0.06 -0.22 -0.31 0.00 0.00 175.10 175.09 1ulp s LEU 49 N 0.20 2.00 0.49 1.32 2.96 -1.19 -2.44 118.68 122.02 1ulp s LEU 49 Ca -0.14 -1.36 -0.18 0.00 -0.22 0.00 0.00 54.13 52.22 1ulp s LEU 49 Cb -0.17 -0.83 -0.09 0.00 0.50 0.00 0.00 46.19 45.61 1ulp s LEU 49 CO 0.07 -0.36 0.99 0.54 -1.32 0.00 0.00 176.35 176.27 1ulp s ASN 50 N 1.66 6.60 0.00 3.68 2.20 -1.26 -2.15 114.94 125.67 1ulp s ASN 50 Ca 0.05 1.68 0.00 0.00 -0.94 0.00 0.00 52.86 53.65 1ulp s ASN 50 Cb -0.17 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.55 1ulp s ASN 50 CO -0.18 -0.60 0.00 0.61 -2.94 0.00 0.00 177.10 173.99 1ulp n GLY 51 N -1.03 0.29 3.42 0.45 0.00 -1.24 -4.85 105.19 102.24 1ulp n GLY 51 Ca 0.07 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 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 0.78 -0.42 1.61 1.01 -1.23 -3.52 120.40 118.63 1ulp s VAL 52 Ca 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.03 1ulp s VAL 52 Cb 0.00 -2.61 0.17 0.00 0.00 0.00 0.00 36.38 33.94 1ulp s VAL 52 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 175.10 175.57 1ulp s ALA 53 N -3.42 -0.62 0.26 5.51 0.00 -1.18 -3.82 121.76 118.49 1ulp s ALA 53 Ca 0.33 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.33 1ulp s ALA 53 Cb 0.06 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1ulp s ALA 53 CO 0.15 -2.14 0.05 0.42 0.00 0.00 0.00 175.76 174.24 1ulp s ILE 54 N 1.05 3.72 -0.16 0.00 -1.09 -1.10 -4.81 121.20 118.81 1ulp s ILE 54 Ca 0.23 -1.78 -0.06 0.00 -2.23 0.00 0.00 60.65 56.82 1ulp s ILE 54 Cb -0.07 -2.99 0.08 0.00 -1.58 0.00 0.00 42.46 37.90 1ulp s ILE 54 CO -0.07 -0.37 0.34 -1.61 -1.23 0.00 0.00 174.94 172.00 1ulp s GLU 55 N -3.71 0.24 0.00 2.79 2.02 -1.07 -1.44 118.70 117.53 1ulp s GLU 55 Ca 0.32 0.88 0.00 0.00 0.02 0.00 0.00 54.97 56.19 1ulp s GLU 55 Cb -0.07 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.30 1ulp s GLU 55 CO 0.21 -0.26 0.00 -0.85 0.02 0.00 0.00 175.26 174.38 1ulp n GLU 56 N 5.31 0.00 -2.60 1.61 0.28 0.46 -3.92 120.64 121.78 1ulp n GLU 56 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.49 1ulp n GLU 56 Cb 0.50 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.35 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 1.45 0.24 -1.84 0.00 -1.21 -2.28 107.32 103.68 1ulp s GLY 57 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.52 1ulp s GLY 57 CO 0.00 2.36 0.28 -1.59 0.00 0.00 0.00 173.10 174.15 1ulp s THR 58 N 4.01 0.00 0.40 0.90 2.01 -0.41 -4.92 115.64 117.63 1ulp s THR 58 Ca 0.48 -1.79 -0.05 0.00 0.31 0.00 0.00 61.69 60.64 1ulp s THR 58 Cb -0.11 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1ulp s THR 58 CO 0.21 0.00 0.68 -0.89 -0.69 0.00 0.00 174.62 173.93 1ulp s THR 59 N -3.93 4.96 0.29 -0.82 2.01 -1.26 -0.18 115.64 116.71 1ulp s THR 59 Ca 0.34 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.22 1ulp s THR 59 Cb 0.04 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1ulp s THR 59 CO 0.13 -0.63 0.71 -0.31 -0.69 0.00 0.00 174.62 173.83 1ulp s TYR 60 N -2.46 -0.09 -0.19 4.92 2.02 -0.70 -3.31 117.35 117.55 1ulp s TYR 60 Ca 0.45 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.72 1ulp s TYR 60 Cb -0.10 0.68 0.09 0.00 -0.40 0.00 0.00 41.96 42.23 1ulp s TYR 60 CO 0.38 -1.26 0.36 0.99 -1.57 0.00 0.00 175.55 174.44 1ulp s THR 61 N -3.71 -0.56 -0.22 -0.71 2.01 -0.99 -2.08 115.64 109.38 1ulp s THR 61 Ca 0.13 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 1ulp s THR 61 Cb -0.05 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1ulp s THR 61 CO 0.08 0.03 0.61 -0.22 -0.69 0.00 0.00 174.62 174.43 1ulp s LEU 62 N 2.53 4.12 -0.29 4.42 2.96 -0.04 -3.72 118.68 128.66 1ulp s LEU 62 Ca 0.03 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1ulp s LEU 62 Cb -0.13 -2.85 0.08 0.00 0.50 0.00 0.00 46.19 43.80 1ulp s LEU 62 CO -0.12 -0.29 0.02 -0.60 -1.32 0.00 0.00 176.35 174.04 1ulp s ARG 63 N 2.05 1.38 0.01 1.98 3.52 -1.16 -2.98 118.95 123.75 1ulp s ARG 63 Ca 0.27 -1.34 -0.16 0.00 -0.13 0.00 0.00 55.73 54.37 1ulp s ARG 63 Cb -0.16 -2.67 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1ulp s ARG 63 CO 0.10 -0.81 0.34 1.52 -0.81 0.00 0.00 175.30 175.63 1ulp s TYR 64 N 1.26 -0.19 -0.38 5.12 -0.85 -1.06 -2.81 117.35 118.44 1ulp s TYR 64 Ca 0.04 0.22 0.04 0.00 -0.52 0.00 0.00 57.07 56.85 1ulp s TYR 64 Cb -0.19 0.12 0.11 0.00 0.38 0.00 0.00 41.96 42.39 1ulp s TYR 64 CO -0.11 -0.45 0.10 0.99 -1.52 0.00 0.00 175.55 174.56 1ulp s THR 65 N -1.76 2.37 -0.01 -3.49 2.01 -1.26 0.66 115.64 114.16 1ulp s THR 65 Ca -0.10 -2.58 -0.03 0.00 0.31 0.00 0.00 61.69 59.29 1ulp s THR 65 Cb -0.03 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1ulp s THR 65 CO 0.02 -0.65 0.20 0.00 -0.69 0.00 0.00 174.62 173.49 1ulp s ALA 66 N 0.62 3.94 -0.19 7.40 0.00 -0.99 -3.72 121.76 128.81 1ulp s ALA 66 Ca 0.12 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1ulp s ALA 66 Cb -0.21 -1.91 0.09 0.00 0.00 0.00 0.00 23.12 21.10 1ulp s ALA 66 CO -0.06 0.73 0.36 0.99 0.00 0.00 0.00 175.76 177.79 1ulp s THR 67 N -1.32 -0.57 -0.14 0.00 2.01 -0.91 -2.38 115.64 112.34 1ulp s THR 67 Ca 0.27 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 1ulp s THR 67 Cb -0.13 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1ulp s THR 67 CO 0.18 0.03 -0.01 0.00 -0.69 0.00 0.00 174.62 174.13 1ulp s ALA 68 N 2.54 3.16 0.60 7.40 0.00 -1.01 -2.16 121.76 132.28 1ulp s ALA 68 Ca 0.03 -0.80 0.29 0.00 0.00 0.00 0.00 51.96 51.47 1ulp s ALA 68 Cb -0.13 -1.58 1.22 0.00 0.00 0.00 0.00 23.12 22.63 1ulp s ALA 68 CO -0.12 0.34 1.59 0.77 0.00 0.00 0.00 175.76 178.34 1ulp h SER 69 N 6.17 0.00 -1.60 0.00 0.02 -1.73 -2.60 113.55 113.80 1ulp h SER 69 Ca -0.39 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.03 1ulp h SER 69 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 1ulp h SER 69 CO 0.61 0.00 -0.45 0.28 -1.14 0.00 0.00 176.83 176.14 1ulp s THR 70 N -4.54 2.59 -1.42 -2.27 -1.32 -1.26 -3.82 115.64 103.59 1ulp s THR 70 Ca -0.03 -1.53 -0.08 0.00 -1.21 0.00 0.00 61.69 58.84 1ulp s THR 70 Cb 0.15 -3.00 0.06 0.00 -1.51 0.00 0.00 72.50 68.20 1ulp s THR 70 CO 0.53 -0.03 2.48 0.47 -2.21 0.00 0.00 174.62 175.86 1ulp n ASP 71 N -1.37 7.49 -4.76 8.08 9.92 -1.26 -2.72 116.55 131.93 1ulp n ASP 71 Ca 0.01 -2.94 -0.39 0.00 -0.53 0.00 0.00 54.79 50.94 1ulp n ASP 71 Cb 0.63 -1.46 -0.06 0.00 -0.64 0.00 0.00 41.12 39.59 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ulp s VAL 72 N 0.45 4.69 -0.46 2.53 0.11 -1.21 -4.78 120.40 121.72 1ulp s VAL 72 Ca 0.56 1.50 0.03 0.00 -2.93 0.00 0.00 61.98 61.15 1ulp s VAL 72 Cb 0.17 -4.05 0.12 0.00 -1.53 0.00 0.00 36.38 31.09 1ulp s VAL 72 CO -0.07 0.44 0.21 -0.89 -3.33 0.00 0.00 175.10 171.46 1ulp s THR 73 N -0.47 2.17 0.00 5.04 2.01 -1.26 -0.93 115.64 122.20 1ulp s THR 73 Ca 0.35 -2.89 0.00 0.00 0.31 0.00 0.00 61.69 59.46 1ulp s THR 73 Cb -0.20 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.78 1ulp s THR 73 CO 0.22 -0.78 0.00 1.33 -0.69 0.00 0.00 174.62 174.69 1ulp n VAL 74 N 3.48 0.00 -4.57 3.82 0.24 -1.15 -4.88 118.33 115.27 1ulp n VAL 74 Ca 0.05 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.10 1ulp n VAL 74 Cb 0.35 -0.46 -0.17 0.00 -1.47 0.00 0.00 33.84 32.09 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 1.84 1.85 0.11 7.34 0.52 -1.10 -3.18 118.95 126.34 1ulp s ARG 75 Ca 0.00 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.80 1ulp s ARG 75 Cb 0.00 -1.54 -0.04 0.00 0.52 0.00 0.00 34.95 33.89 1ulp s ARG 75 CO 0.00 0.01 -0.12 0.00 0.02 0.00 0.00 175.30 175.21 1ulp s ALA 76 N 0.75 1.32 0.00 2.13 0.00 -0.69 -2.07 121.76 123.20 1ulp s ALA 76 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1ulp s ALA 76 Cb -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1ulp s ALA 76 CO 0.03 0.02 0.00 1.47 0.00 0.00 0.00 175.76 177.28 1ulp n LEU 77 N 0.48 0.00 -4.09 0.00 -0.00 -0.55 -3.08 117.00 109.76 1ulp n LEU 77 Ca -0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.74 1ulp n LEU 77 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.93 1ulp n LEU 77 CO 0.27 0.00 0.03 -0.69 -0.00 0.00 0.00 177.39 177.00 1ulp s VAL 78 N -3.55 0.00 -0.31 1.47 1.01 -1.26 -1.73 120.40 116.03 1ulp s VAL 78 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.32 1ulp s VAL 78 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1ulp s VAL 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 79 N -0.39 -1.22 3.08 4.51 0.00 -1.16 -3.49 105.19 106.52 1ulp n GLY 79 Ca 0.00 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.31 2.75 -0.63 1.61 2.00 -1.14 -2.16 119.66 120.79 1ulp s GLN 80 Ca 0.00 -2.81 -0.26 0.00 -2.00 0.00 0.00 55.36 50.29 1ulp s GLN 80 Cb 0.00 -3.77 -0.06 0.00 0.80 0.00 0.00 33.01 29.99 1ulp s GLN 80 CO 0.00 -1.21 2.16 -0.80 -0.50 0.00 0.00 175.29 174.95 1ulp s ASN 81 N 0.27 4.73 0.00 6.67 0.01 0.55 -3.63 114.94 123.53 1ulp s ASN 81 Ca 0.20 0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.82 1ulp s ASN 81 Cb -0.16 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1ulp s ASN 81 CO -0.07 -2.84 0.00 0.61 -1.51 0.00 0.00 177.10 173.30 1ulp n GLY 82 N 6.12 0.01 0.00 0.66 0.00 -1.25 0.14 105.19 110.86 1ulp n GLY 82 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.28 4.61 0.00 -1.25 -4.40 120.51 119.18 1ulp n ALA 83 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 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 -0.06 1.41 0.00 0.00 -0.04 -1.26 -5.03 135.00 130.02 1ulp n PRO 84 Ca 0.00 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1ulp n PRO 84 Cb 0.00 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.53 -1.85 0.00 0.54 4.01 -1.24 -5.03 117.16 114.12 1ulp n TYR 85 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1ulp n TYR 85 Cb 0.65 0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 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 0.00 3.17 3.82 2.72 0.00 -1.26 -4.64 105.19 108.99 1ulp n GLY 86 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 4.78 -0.00 2.61 -4.23 -1.26 -2.88 115.64 114.65 1ulp s THR 87 Ca 0.00 1.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1ulp s THR 87 Cb 0.00 -3.86 -0.00 0.00 1.34 0.00 0.00 72.50 69.97 1ulp s THR 87 CO 0.00 0.53 0.01 1.33 -0.54 0.00 0.00 174.62 175.94 1ulp n VAL 88 N 1.63 0.00 -4.92 2.29 0.24 -1.23 -4.53 118.33 111.81 1ulp n VAL 88 Ca -0.10 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.34 61.81 1ulp n VAL 88 Cb 0.51 0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 33.33 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 -2.81 2.13 -0.47 1.34 1.02 -1.26 -4.69 118.68 113.94 1ulp s LEU 89 Ca -0.00 -0.53 0.06 0.00 0.02 0.00 0.00 54.13 53.68 1ulp s LEU 89 Cb 0.00 -1.20 0.19 0.00 0.02 0.00 0.00 46.19 45.20 1ulp s LEU 89 CO 0.01 0.25 0.58 -0.90 0.02 0.00 0.00 176.35 176.30 1ulp n ASP 90 N 1.99 -2.09 -3.69 2.29 5.68 -1.26 -4.01 116.55 115.46 1ulp n ASP 90 Ca -0.17 -2.72 -0.13 0.00 -0.50 0.00 0.00 54.79 51.28 1ulp n ASP 90 Cb 0.52 0.74 -0.06 0.00 -1.14 0.00 0.00 41.12 41.18 1ulp n ASP 90 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1ulp s THR 91 N 0.44 0.00 -0.18 2.12 -4.23 -1.18 -5.08 115.64 107.53 1ulp s THR 91 Ca 0.32 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1ulp s THR 91 Cb 0.04 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.43 1ulp s THR 91 CO -0.12 0.00 -0.20 -0.44 -0.54 0.00 0.00 174.62 173.32 1ulp s SER 92 N -3.16 3.16 -0.17 3.99 0.01 -1.26 -1.71 113.70 114.56 1ulp s SER 92 Ca 0.30 -0.64 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 1ulp s SER 92 Cb 0.01 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 1ulp s SER 92 CO 0.15 0.00 1.52 -2.16 0.41 0.00 0.00 173.24 173.17 1ulp s PRO 93 N 1.27 4.01 0.11 12.44 0.04 -1.19 -4.87 135.00 146.80 1ulp s PRO 93 Ca 0.04 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 1ulp s PRO 93 Cb -0.13 -3.95 -0.07 0.00 0.04 0.00 0.00 34.50 30.39 1ulp s PRO 93 CO -0.12 -1.02 0.70 0.00 0.04 0.00 0.00 177.00 176.59 1ulp s ALA 94 N 4.43 3.49 0.29 8.56 0.00 -1.26 -2.93 121.76 134.34 1ulp s ALA 94 Ca 0.67 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1ulp s ALA 94 Cb -0.26 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 1ulp s ALA 94 CO 0.26 0.29 0.06 -0.51 0.00 0.00 0.00 175.76 175.86 1ulp s LEU 95 N -0.93 1.99 0.00 0.00 1.43 -0.10 -4.89 118.68 116.18 1ulp s LEU 95 Ca 0.34 -1.36 -0.26 0.00 -1.03 0.00 0.00 54.13 51.81 1ulp s LEU 95 Cb -0.21 -0.23 0.08 0.00 0.03 0.00 0.00 46.19 45.86 1ulp s LEU 95 CO 0.23 -0.64 1.17 1.07 0.23 0.00 0.00 176.35 178.41 1ulp n THR 96 N -0.58 0.00 0.29 5.49 5.66 -1.10 -3.34 114.28 120.70 1ulp n THR 96 Ca -0.02 -0.07 0.16 0.00 -3.05 0.00 0.00 64.05 61.07 1ulp n THR 96 Cb 0.66 0.47 0.89 0.00 -1.55 0.00 0.00 70.33 70.80 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 1.75 0.00 -3.18 1.09 4.64 -1.57 -2.68 113.55 113.61 1ulp h SER 97 Ca -0.18 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.68 1ulp h SER 97 Cb 1.03 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1ulp h SER 97 CO 0.26 0.05 0.04 -1.61 -0.87 0.00 0.00 176.83 174.71 1ulp s GLU 98 N -4.30 2.93 0.15 4.77 2.02 -1.26 -4.92 118.70 118.09 1ulp s GLU 98 Ca -0.04 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.37 1ulp s GLU 98 Cb 0.13 -2.41 -0.07 0.00 0.10 0.00 0.00 34.13 31.88 1ulp s GLU 98 CO 0.54 -0.53 1.23 -1.25 0.02 0.00 0.00 175.26 175.26 1ulp s PRO 99 N -4.79 4.45 -0.69 0.39 0.04 -1.26 -4.67 135.00 128.46 1ulp s PRO 99 Ca 0.52 1.88 0.05 0.00 0.04 0.00 0.00 61.00 63.49 1ulp s PRO 99 Cb -0.10 -3.26 0.17 0.00 0.04 0.00 0.00 34.50 31.34 1ulp s PRO 99 CO 0.41 -0.18 0.48 0.50 0.04 0.00 0.00 177.00 178.25 1ulp s ARG 100 N 0.24 2.45 0.76 4.56 3.00 -1.00 -5.03 118.95 123.92 1ulp s ARG 100 Ca 0.56 -3.29 -0.12 0.00 -1.00 0.00 0.00 55.73 51.88 1ulp s ARG 100 Cb -0.33 -3.43 0.05 0.00 0.00 0.00 0.00 34.95 31.24 1ulp s ARG 100 CO 0.34 -1.27 1.11 -1.14 0.00 0.00 0.00 175.30 174.34 1ulp s GLN 101 N -1.36 2.24 -0.04 5.12 0.74 -1.26 -2.36 119.66 122.74 1ulp s GLN 101 Ca 0.24 1.32 0.02 0.00 0.05 0.00 0.00 55.36 56.99 1ulp s GLN 101 Cb -0.06 -1.89 0.01 0.00 1.10 0.00 0.00 33.01 32.17 1ulp s GLN 101 CO -0.15 -1.67 -0.06 0.08 -0.55 0.00 0.00 175.29 172.93 1ulp s VAL 102 N -2.65 0.62 -0.39 1.34 1.01 0.21 -4.91 120.40 115.63 1ulp s VAL 102 Ca 0.64 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1ulp s VAL 102 Cb -0.20 -0.60 0.16 0.00 0.00 0.00 0.00 36.38 35.75 1ulp s VAL 102 CO 0.52 0.23 0.44 -0.89 0.00 0.00 0.00 175.10 175.39 1ulp s THR 103 N 0.60 -0.46 0.19 3.92 2.01 -1.24 -2.56 115.64 118.09 1ulp s THR 103 Ca -0.09 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.01 1ulp s THR 103 Cb -0.12 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 1ulp s THR 103 CO 0.01 -0.48 0.15 -1.61 -0.69 0.00 0.00 174.62 172.00 1ulp s GLU 104 N 1.41 1.17 0.49 4.92 0.41 -1.16 -4.99 118.70 120.95 1ulp s GLU 104 Ca 0.18 -1.53 0.01 0.00 -0.41 0.00 0.00 54.97 53.21 1ulp s GLU 104 Cb -0.12 0.29 -0.00 0.00 -1.78 0.00 0.00 34.13 32.52 1ulp s GLU 104 CO -0.04 -0.39 0.03 0.25 -0.49 0.00 0.00 175.26 174.62 1ulp n THR 105 N -0.24 0.00 -3.63 3.63 -2.24 -1.26 -0.86 114.28 109.68 1ulp n THR 105 Ca -0.00 -2.38 -0.03 0.00 -2.27 0.00 0.00 64.05 59.37 1ulp n THR 105 Cb 0.65 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1ulp n THR 105 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1ulp s PHE 106 N -2.87 -0.06 -0.75 4.78 -0.71 -0.88 -4.92 117.98 112.57 1ulp s PHE 106 Ca 0.04 0.07 -0.20 0.00 -1.04 0.00 0.00 56.93 55.80 1ulp s PHE 106 Cb 0.00 0.50 0.11 0.00 -1.21 0.00 0.00 43.02 42.42 1ulp s PHE 106 CO 0.03 -0.08 0.94 0.99 -1.34 0.00 0.00 175.22 175.76 1ulp s THR 107 N -1.65 4.69 -0.20 -4.49 2.01 -1.26 -1.71 115.64 113.03 1ulp s THR 107 Ca 0.10 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.69 1ulp s THR 107 Cb -0.01 -4.65 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 1ulp s THR 107 CO -0.05 -1.36 1.84 0.00 -0.69 0.00 0.00 174.62 174.37 1ulp s ALA 108 N 2.93 3.12 -0.96 7.40 0.00 0.75 -4.67 121.76 130.33 1ulp s ALA 108 Ca 0.23 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 52.80 1ulp s ALA 108 Cb -0.14 -3.93 0.29 0.00 0.00 0.00 0.00 23.12 19.34 1ulp s ALA 108 CO 0.01 -2.21 2.02 -1.13 0.00 0.00 0.00 175.76 174.45 1ulp n SER 109 N 9.39 7.43 -0.06 0.00 3.41 -1.25 -1.29 113.62 131.25 1ulp n SER 109 Ca 0.22 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 1ulp n SER 109 Cb 0.45 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 0.01 0.00 -3.60 7.33 0.00 -0.97 -4.78 120.51 118.51 1ulp n ALA 110 Ca 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.87 1ulp n ALA 110 Cb 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.82 -0.67 -0.54 0.00 2.01 -1.26 0.17 115.64 112.54 1ulp s THR 111 Ca 0.00 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 1ulp s THR 111 Cb 0.00 -0.71 0.14 0.00 0.01 0.00 0.00 72.50 71.94 1ulp s THR 111 CO 0.00 0.04 0.34 -0.31 -0.69 0.00 0.00 174.62 174.00 1ulp s TYR 112 N 2.62 3.47 0.28 4.92 2.02 -0.52 -4.79 117.35 125.35 1ulp s TYR 112 Ca 0.01 -2.62 -0.29 0.00 -0.37 0.00 0.00 57.07 53.79 1ulp s TYR 112 Cb -0.13 -3.19 -0.10 0.00 -0.40 0.00 0.00 41.96 38.14 1ulp s TYR 112 CO -0.14 -0.89 1.14 -1.25 -1.57 0.00 0.00 175.55 172.85 1ulp s PRO 113 N 0.39 4.58 0.00 -1.71 0.04 -1.26 -2.71 135.00 134.33 1ulp s PRO 113 Ca 0.14 1.88 0.26 0.00 0.04 0.00 0.00 61.00 63.32 1ulp s PRO 113 Cb -0.21 -3.17 1.55 0.00 0.04 0.00 0.00 34.50 32.70 1ulp s PRO 113 CO -0.04 0.13 1.92 0.00 0.04 0.00 0.00 177.00 179.05 1ulp n ALA 114 N 1.19 2.50 -2.70 8.56 0.00 -1.25 -3.93 120.51 124.88 1ulp n ALA 114 Ca -0.01 -0.16 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1ulp n ALA 114 Cb 0.44 -1.42 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.00 1.85 0.98 0.00 -4.23 -1.26 -5.01 115.64 105.96 1ulp s THR 115 Ca 0.39 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 1ulp s THR 115 Cb 0.18 -1.56 0.17 0.00 1.34 0.00 0.00 72.50 72.63 1ulp s THR 115 CO 0.30 0.52 1.13 -2.16 -0.54 0.00 0.00 174.62 173.87 1ulp s PRO 116 N -0.19 0.61 -0.44 3.99 0.04 -1.26 -4.85 135.00 132.89 1ulp s PRO 116 Ca -0.01 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.27 1ulp s PRO 116 Cb -0.12 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.71 1ulp s PRO 116 CO 0.02 -2.56 2.74 0.00 0.04 0.00 0.00 177.00 177.24 1ulp n ALA 117 N -4.01 6.38 -1.13 8.56 0.00 -1.21 -4.70 120.51 124.39 1ulp n ALA 117 Ca 0.07 -2.96 -0.04 0.00 0.00 0.00 0.00 53.44 50.50 1ulp n ALA 117 Cb 0.59 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 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 0.85 -0.07 0.00 0.00 0.00 -1.26 -3.86 120.51 116.18 1ulp n ALA 118 Ca 0.48 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1ulp n ALA 118 Cb 0.56 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1ulp n ALA 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ulp n ASP 119 N -0.96 0.00 -4.74 0.00 -0.08 -1.26 -5.15 116.55 104.36 1ulp n ASP 119 Ca -0.04 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.00 1ulp n ASP 119 Cb 0.50 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.05 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1ulp s ASP 120 N 0.00 4.52 0.00 1.67 1.01 -1.25 -5.11 116.67 117.51 1ulp s ASP 120 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.19 1ulp s ASP 120 Cb 0.00 -0.44 0.00 0.00 1.01 0.00 0.00 42.92 43.49 1ulp s ASP 120 CO 0.00 -1.74 0.00 -0.81 0.21 0.00 0.00 175.17 172.83 1ulp n PRO 121 N -2.84 2.59 0.00 8.23 -0.04 -1.26 -3.36 135.00 138.33 1ulp n PRO 121 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1ulp n PRO 121 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 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 -3.88 0.54 0.28 0.36 -4.22 120.64 113.72 1ulp n GLU 122 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.66 1ulp n GLU 122 Cb 0.00 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.82 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 2.18 0.00 -1.84 0.00 -1.25 0.21 107.32 106.62 1ulp s GLY 123 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1ulp s GLY 123 CO 0.00 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.14 1ulp n GLN 124 N 1.15 0.00 -5.02 2.90 10.64 -0.92 -3.50 117.38 122.63 1ulp n GLN 124 Ca -0.12 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.74 1ulp n GLN 124 Cb 0.53 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.76 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 -0.81 2.33 -0.25 -0.39 1.01 -0.91 -3.00 121.20 119.17 1ulp s ILE 125 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 60.65 59.46 1ulp s ILE 125 Cb 0.00 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.61 1ulp s ILE 125 CO 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 174.94 175.38 1ulp s ALA 126 N -0.74 2.77 -0.68 9.38 0.00 -0.71 -3.15 121.76 128.64 1ulp s ALA 126 Ca 0.11 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1ulp s ALA 126 Cb -0.10 -1.76 0.22 0.00 0.00 0.00 0.00 23.12 21.47 1ulp s ALA 126 CO 0.01 -0.77 0.65 1.19 0.00 0.00 0.00 175.76 176.84 1ulp n PHE 127 N 4.72 3.50 -3.05 0.00 3.01 -0.60 -1.49 117.46 123.56 1ulp n PHE 127 Ca -0.16 -4.21 -0.40 0.00 1.01 0.00 0.00 57.45 53.68 1ulp n PHE 127 Cb 0.48 -0.60 -0.05 0.00 -0.01 0.00 0.00 39.48 39.30 1ulp n PHE 127 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ulp s GLN 128 N -2.06 4.33 -0.67 -1.08 -0.21 -0.88 0.10 119.66 119.19 1ulp s GLN 128 Ca 0.34 0.80 0.03 0.00 0.02 0.00 0.00 55.36 56.54 1ulp s GLN 128 Cb 0.07 -3.52 0.36 0.00 1.00 0.00 0.00 33.01 30.92 1ulp s GLN 128 CO -0.08 -0.11 1.35 1.28 -2.12 0.00 0.00 175.29 175.61 1ulp n LEU 129 N 4.49 5.63 -4.57 2.90 4.77 0.16 -2.70 117.00 127.68 1ulp n LEU 129 Ca -0.00 -5.35 -0.32 0.00 -0.03 0.00 0.00 56.01 50.30 1ulp n LEU 129 Cb 0.50 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1ulp n LEU 129 CO 0.46 2.16 1.52 -0.83 -1.33 0.00 0.00 177.39 179.38 1ulp s GLY 130 N -2.68 0.61 0.10 -0.72 0.00 -1.18 -2.87 107.32 100.58 1ulp s GLY 130 Ca 0.47 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1ulp s GLY 130 CO -0.20 3.24 0.00 0.61 0.00 0.00 0.00 173.10 176.75 1ulp n GLY 131 N 6.29 -5.27 2.07 0.20 0.00 0.21 -4.87 105.19 103.83 1ulp n GLY 131 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 1.91 -2.76 -2.45 1.61 3.72 -1.25 -4.96 117.46 113.28 1ulp n PHE 132 Ca 0.00 0.67 -0.24 0.00 -0.05 0.00 0.00 57.45 57.83 1ulp n PHE 132 Cb 0.00 1.54 0.09 0.00 -0.94 0.00 0.00 39.48 40.16 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 -3.89 4.60 0.00 4.37 0.15 -1.26 -4.72 113.70 112.96 1ulp s SER 133 Ca 0.00 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1ulp s SER 133 Cb 0.00 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1ulp s SER 133 CO 0.00 -1.68 0.00 0.00 1.20 0.00 0.00 173.24 172.76 1ulp n ALA 134 N -2.80 0.00 -1.00 5.45 0.00 -1.26 -3.87 120.51 117.03 1ulp n ALA 134 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ulp n ALA 134 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 -1.23 -4.81 0.00 9.92 -1.26 0.13 116.55 119.30 1ulp n ASP 135 Ca 0.00 -0.17 -0.33 0.00 -0.53 0.00 0.00 54.79 53.76 1ulp n ASP 135 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ulp s ALA 136 N -2.43 2.96 0.00 2.24 0.00 -1.26 -1.77 121.76 121.49 1ulp s ALA 136 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1ulp s ALA 136 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1ulp s ALA 136 CO 0.00 -0.09 0.00 -2.67 0.00 0.00 0.00 175.76 173.00 1ulp n TRP 137 N -0.81 0.00 -3.56 0.00 2.14 -1.06 -4.90 117.44 109.25 1ulp n TRP 137 Ca 0.08 0.00 -0.10 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 31.01 1ulp n TRP 137 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1ulp s THR 138 N -0.81 0.00 -0.10 -1.67 -1.32 -1.26 -1.73 115.64 108.75 1ulp s THR 138 Ca 0.00 -0.31 0.02 0.00 -1.21 0.00 0.00 61.69 60.19 1ulp s THR 138 Cb 0.00 -1.32 0.02 0.00 -1.51 0.00 0.00 72.50 69.69 1ulp s THR 138 CO 0.00 0.00 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.51 1ulp s LEU 139 N -2.79 1.64 -0.35 9.08 1.02 -1.10 -3.67 118.68 122.51 1ulp s LEU 139 Ca 0.04 -0.38 0.04 0.00 0.02 0.00 0.00 54.13 53.85 1ulp s LEU 139 Cb -0.02 -1.00 0.10 0.00 0.02 0.00 0.00 46.19 45.28 1ulp s LEU 139 CO -0.07 0.00 0.07 0.00 0.02 0.00 0.00 176.35 176.37 1ulp n LEU 141 N 4.24 0.00 0.00 0.00 4.77 -0.43 -2.13 117.00 123.45 1ulp n LEU 141 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1ulp n LEU 141 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1ulp n LEU 141 CO 0.22 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.38 1ulp n ASP 142 N 0.00 0.00 -4.51 -1.43 5.75 -1.24 -2.80 116.55 112.31 1ulp n ASP 142 Ca 0.00 0.00 -0.63 0.00 -0.01 0.00 0.00 54.79 54.15 1ulp n ASP 142 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1ulp n ASP 143 N 0.00 1.06 -3.97 -1.12 5.75 -1.25 -4.60 116.55 112.41 1ulp n ASP 143 Ca 0.00 0.93 -0.26 0.00 -0.01 0.00 0.00 54.79 55.45 1ulp n ASP 143 Cb 0.00 -0.91 -0.17 0.00 -1.03 0.00 0.00 41.12 39.01 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ulp s VAL 144 N 4.54 1.11 0.35 2.12 1.01 -1.25 -4.40 120.40 123.89 1ulp s VAL 144 Ca 1.12 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.76 1ulp s VAL 144 Cb -1.47 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1ulp s VAL 144 CO 0.73 0.37 0.23 0.00 0.00 0.00 0.00 175.10 176.43 1ulp s ALA 145 N 1.16 2.19 -0.29 5.51 0.00 -1.12 -3.93 121.76 125.29 1ulp s ALA 145 Ca -0.05 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.04 1ulp s ALA 145 Cb -0.14 1.25 0.13 0.00 0.00 0.00 0.00 23.12 24.36 1ulp s ALA 145 CO -0.02 -0.56 0.61 -1.17 0.00 0.00 0.00 175.76 174.62 1ulp s LEU 146 N -3.44 -1.11 -0.04 0.00 2.96 -1.26 -2.96 118.68 112.83 1ulp s LEU 146 Ca 0.35 1.41 0.03 0.00 -0.22 0.00 0.00 54.13 55.70 1ulp s LEU 146 Cb 0.02 2.16 -0.03 0.00 0.50 0.00 0.00 46.19 48.85 1ulp s LEU 146 CO 0.23 -0.23 -0.12 -1.81 -1.32 0.00 0.00 176.35 173.10 1ulp s ASP 147 N 2.86 4.21 0.00 3.68 1.01 -1.24 -4.88 116.67 122.30 1ulp s ASP 147 Ca -0.02 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.06 1ulp s ASP 147 Cb -0.12 -0.92 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1ulp s ASP 147 CO -0.18 0.33 0.00 -1.20 0.21 0.00 0.00 175.17 174.33 1ulp n SER 148 N 2.12 1.47 -4.11 0.27 7.64 -1.26 -2.36 113.62 117.39 1ulp n SER 148 Ca -0.17 -0.05 -0.35 0.00 1.01 0.00 0.00 58.87 59.30 1ulp n SER 148 Cb 0.52 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1ulp n SER 148 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ulp s GLU 149 N 1.34 1.99 -0.10 1.43 -6.30 -1.21 -4.87 118.70 110.98 1ulp s GLU 149 Ca 0.00 -1.74 0.02 0.00 -2.50 0.00 0.00 54.97 50.75 1ulp s GLU 149 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 34.13 30.68 1ulp s GLU 149 CO 0.00 -0.98 -0.16 0.54 0.02 0.00 0.00 175.26 174.68 1ulp s VAL 150 N 1.12 1.55 -0.40 3.70 0.11 -1.26 -4.82 120.40 120.41 1ulp s VAL 150 Ca 0.06 -0.69 0.06 0.00 -2.93 0.00 0.00 61.98 58.48 1ulp s VAL 150 Cb -0.22 -1.40 0.62 0.00 -1.53 0.00 0.00 36.38 33.85 1ulp s VAL 150 CO -0.04 0.45 1.77 -0.62 -3.33 0.00 0.00 175.10 173.33 1ulp n GLU 151 N 4.07 2.12 0.00 1.54 -0.58 -1.26 -5.26 120.64 121.27 1ulp n GLU 151 Ca -0.20 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.47 1ulp n GLU 151 Cb 0.51 -2.06 0.00 0.00 -0.57 0.00 0.00 31.44 29.32 1ulp n GLU 151 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54