#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 -5.04 113.62 106.99 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 1.66 -0.06 -1.46 -0.04 -1.26 -4.32 135.00 129.52 1ulp n PRO 3 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1ulp n PRO 3 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 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 1.34 -0.04 0.52 -5.35 -1.24 -4.81 119.36 109.65 1ulp n ILE 4 Ca 0.00 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1ulp n ILE 4 Cb 0.00 -0.61 0.00 0.00 -1.74 0.00 0.00 39.64 37.29 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 1.63 0.48 3.51 3.28 0.00 -1.26 -4.84 105.19 107.99 1ulp n GLY 5 Ca -0.24 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 1ulp n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ulp n GLU 6 N 2.22 0.18 -4.28 1.61 0.00 -1.25 -4.77 120.64 114.36 1ulp n GLU 6 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 57.16 56.83 1ulp n GLU 6 Cb 0.00 -1.79 -0.08 0.00 0.00 0.00 0.00 31.44 29.57 1ulp n GLU 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulp s GLY 7 N 5.24 2.22 -0.07 8.31 0.00 -1.13 -4.95 107.32 116.94 1ulp s GLY 7 Ca 1.24 -1.99 0.10 0.00 0.00 0.00 0.00 44.72 44.07 1ulp s GLY 7 CO 0.44 -1.48 1.08 -1.30 0.00 0.00 0.00 173.10 171.85 1ulp n THR 8 N -0.58 1.00 0.00 0.90 -2.24 -1.26 -0.75 114.28 111.34 1ulp n THR 8 Ca 0.06 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1ulp n THR 8 Cb 0.63 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.74 0.00 -2.18 4.78 3.72 -1.26 -4.33 117.46 117.45 1ulp n PHE 9 Ca 0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1ulp n PHE 9 Cb 0.68 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.22 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 3.04 -0.79 0.00 4.37 5.68 -1.26 -2.44 116.55 125.15 1ulp n ASP 10 Ca 0.00 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1ulp n ASP 10 Cb 0.00 -0.90 0.00 0.00 -1.14 0.00 0.00 41.12 39.08 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 -0.97 0.00 -3.88 -1.12 2.03 -1.26 -4.80 116.55 106.55 1ulp n ASP 11 Ca -0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1ulp n ASP 11 Cb 0.39 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.63 1ulp n ASP 11 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ulp s GLY 12 N 0.00 0.52 -0.04 0.27 0.00 -1.02 -4.49 107.32 102.55 1ulp s GLY 12 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1ulp s GLY 12 CO 0.00 0.56 1.08 -1.55 0.00 0.00 0.00 173.10 173.19 1ulp n PRO 13 N 4.30 1.12 0.00 2.90 -0.04 -1.26 -4.13 135.00 137.88 1ulp n PRO 13 Ca -0.20 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1ulp n PRO 13 Cb 0.51 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 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 0.35 0.00 -0.67 0.54 4.71 -1.26 -1.71 120.64 122.59 1ulp n GLU 14 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1ulp n GLU 14 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.03 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ulp n GLY 15 N 0.00 0.75 3.77 0.62 0.00 -1.26 -5.11 105.19 103.95 1ulp n GLY 15 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 2.54 -0.00 1.61 0.52 -0.70 -4.76 118.94 118.16 1ulp s TRP 16 Ca 0.04 1.29 0.03 0.00 0.02 0.00 0.00 56.10 57.47 1ulp s TRP 16 Cb 0.04 -3.88 -0.01 0.00 -1.15 0.00 0.00 33.47 28.48 1ulp s TRP 16 CO -0.02 -2.77 -0.09 0.14 0.02 0.00 0.00 176.95 174.23 1ulp s VAL 17 N -1.21 0.74 -0.19 4.03 -7.23 -1.05 -5.00 120.40 110.49 1ulp s VAL 17 Ca 0.59 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 60.30 1ulp s VAL 17 Cb -0.43 -0.64 0.04 0.00 0.56 0.00 0.00 36.38 35.92 1ulp s VAL 17 CO 0.55 0.16 -0.09 0.00 -0.31 0.00 0.00 175.10 175.41 1ulp s ALA 18 N -0.31 1.91 0.07 1.32 0.00 -1.26 -0.66 121.76 122.83 1ulp s ALA 18 Ca 0.03 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1ulp s ALA 18 Cb -0.04 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1ulp s ALA 18 CO -0.00 -0.81 0.20 1.52 0.00 0.00 0.00 175.76 176.66 1ulp s TYR 19 N 1.44 3.46 0.00 0.00 -0.85 -0.83 -4.23 117.35 116.33 1ulp s TYR 19 Ca -0.01 0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.75 1ulp s TYR 19 Cb -0.16 -1.73 0.00 0.00 0.38 0.00 0.00 41.96 40.45 1ulp s TYR 19 CO -0.08 0.57 0.00 0.41 -1.52 0.00 0.00 175.55 174.93 1ulp n GLY 20 N 0.23 0.94 7.00 5.49 0.00 -1.26 -2.44 105.19 115.15 1ulp n GLY 20 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.04 2.61 -2.24 -1.26 -4.64 114.28 105.71 1ulp n THR 21 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1ulp n THR 21 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1ulp n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ulp s ASP 22 N -4.00 6.56 -0.44 3.42 1.11 -1.25 -4.93 116.67 117.14 1ulp s ASP 22 Ca 0.00 0.49 0.05 0.00 0.18 0.00 0.00 52.55 53.27 1ulp s ASP 22 Cb 0.00 -2.36 0.42 0.00 1.07 0.00 0.00 42.92 42.05 1ulp s ASP 22 CO 0.00 -0.56 1.13 0.61 1.18 0.00 0.00 175.17 177.53 1ulp n GLY 23 N 4.37 6.03 3.58 0.21 0.00 -1.26 -0.28 105.19 117.83 1ulp n GLY 23 Ca 0.01 -2.76 -0.28 0.00 0.00 0.00 0.00 46.02 42.99 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 -3.55 2.52 -0.84 1.61 0.04 -1.26 -4.51 135.00 129.01 1ulp s PRO 24 Ca 0.48 -1.01 -0.18 0.00 0.04 0.00 0.00 61.00 60.34 1ulp s PRO 24 Cb 0.40 -5.21 -0.22 0.00 0.04 0.00 0.00 34.50 29.51 1ulp s PRO 24 CO -0.18 -3.85 2.20 1.28 0.04 0.00 0.00 177.00 176.49 1ulp n LEU 25 N 14.24 0.25 -4.63 -3.56 4.77 -1.26 -4.63 117.00 122.18 1ulp n LEU 25 Ca 0.44 -1.21 -0.40 0.00 -0.03 0.00 0.00 56.01 54.81 1ulp n LEU 25 Cb 0.47 -1.16 -0.07 0.00 -2.33 0.00 0.00 43.42 40.32 1ulp n LEU 25 CO 0.66 -2.20 0.30 -0.62 -1.33 0.00 0.00 177.39 174.20 1ulp s ASP 26 N 5.79 6.52 -0.00 -1.43 -1.08 -1.18 -4.78 116.67 120.50 1ulp s ASP 26 Ca 1.01 0.62 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 1ulp s ASP 26 Cb -0.39 -2.30 -0.01 0.00 -1.46 0.00 0.00 42.92 38.76 1ulp s ASP 26 CO 0.27 -0.29 0.00 0.35 0.52 0.00 0.00 175.17 176.02 1ulp n THR 27 N 5.03 0.02 -0.38 1.71 -2.24 -1.25 -1.62 114.28 115.56 1ulp n THR 27 Ca -0.03 -0.02 0.38 0.00 -2.27 0.00 0.00 64.05 62.11 1ulp n THR 27 Cb 0.50 -0.60 0.69 0.00 -2.10 0.00 0.00 70.33 68.81 1ulp n THR 27 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ulp h SER 28 N 0.00 0.00 -0.11 3.42 0.02 -1.86 0.61 113.55 115.63 1ulp h SER 28 Ca -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1ulp h SER 28 Cb 0.77 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1ulp h SER 28 CO 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.65 1ulp h THR 29 N 0.00 1.30 0.00 -2.27 1.03 -1.95 -3.47 112.91 107.55 1ulp h THR 29 Ca 0.64 -1.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.03 1ulp h THR 29 Cb 2.87 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 71.70 1ulp h THR 29 CO -0.01 0.29 0.00 0.61 -0.01 0.00 0.00 175.52 176.40 1ulp n GLY 30 N -0.07 0.22 3.26 2.99 0.00 0.21 -5.10 105.19 106.71 1ulp n GLY 30 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.61 -0.60 4.61 0.00 -1.23 -4.22 121.76 119.71 1ulp s ALA 31 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 1ulp s ALA 31 Cb 0.00 0.58 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 1ulp s ALA 31 CO 0.00 -0.57 1.66 -1.17 0.00 0.00 0.00 175.76 175.68 1ulp s LEU 32 N -2.78 3.31 -0.28 0.00 0.20 -0.73 -3.79 118.68 114.62 1ulp s LEU 32 Ca 0.03 0.28 -0.12 0.00 0.69 0.00 0.00 54.13 55.02 1ulp s LEU 32 Cb 0.03 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.01 1ulp s LEU 32 CO -0.11 -2.09 0.24 0.00 -0.29 0.00 0.00 176.35 174.11 1ulp s VAL 34 N 1.84 5.24 -0.23 0.00 -7.23 -1.05 -3.11 120.40 115.86 1ulp s VAL 34 Ca 0.09 -0.11 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 1ulp s VAL 34 Cb -0.16 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 1ulp s VAL 34 CO 0.11 0.06 0.61 0.00 -0.31 0.00 0.00 175.10 175.57 1ulp s ALA 35 N -1.62 3.58 -0.14 1.32 0.00 0.61 -3.00 121.76 122.51 1ulp s ALA 35 Ca 0.39 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1ulp s ALA 35 Cb -0.12 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.03 1ulp s ALA 35 CO 0.26 -0.67 -0.21 0.08 0.00 0.00 0.00 175.76 175.22 1ulp s VAL 36 N 2.17 2.13 0.46 0.00 1.01 -0.12 -3.97 120.40 122.09 1ulp s VAL 36 Ca 0.26 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 1ulp s VAL 36 Cb -0.16 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 1ulp s VAL 36 CO 0.09 0.55 1.12 -2.16 0.00 0.00 0.00 175.10 174.70 1ulp s PRO 37 N 0.74 3.78 -0.24 2.72 0.04 -1.26 -1.34 135.00 139.44 1ulp s PRO 37 Ca -0.09 1.64 -0.42 0.00 0.04 0.00 0.00 61.00 62.17 1ulp s PRO 37 Cb -0.16 -2.33 -0.19 0.00 0.04 0.00 0.00 34.50 31.87 1ulp s PRO 37 CO -0.00 -0.50 1.46 0.00 0.04 0.00 0.00 177.00 178.00 1ulp n ALA 38 N -0.60 -1.61 -2.78 8.56 0.00 -1.26 -2.29 120.51 120.53 1ulp n ALA 38 Ca 0.08 0.50 -0.07 0.00 0.00 0.00 0.00 53.44 53.95 1ulp n ALA 38 Cb 0.49 -1.97 0.01 0.00 0.00 0.00 0.00 19.45 17.98 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 3.21 -1.26 2.30 0.00 0.00 0.70 -4.72 105.19 105.42 1ulp n GLY 39 Ca 0.25 1.08 -0.27 0.00 0.00 0.00 0.00 46.02 47.09 1ulp n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ulp n SER 40 N -0.48 6.78 -1.26 1.61 3.41 -0.97 -4.87 113.62 117.84 1ulp n SER 40 Ca 0.10 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1ulp n SER 40 Cb 0.44 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 41 N 2.03 0.00 -2.61 7.33 0.00 -1.26 -1.47 120.51 124.52 1ulp n ALA 41 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1ulp n ALA 41 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.00 -0.86 0.00 0.00 10.64 -1.26 -2.39 117.38 123.51 1ulp n GLN 42 Ca 0.00 0.82 0.00 0.00 -1.83 0.00 0.00 57.00 55.99 1ulp n GLN 42 Cb 0.00 -0.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 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 2.31 0.00 -1.64 2.61 0.18 -1.26 -4.81 117.16 114.55 1ulp n TYR 43 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1ulp n TYR 43 Cb 0.00 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 38.91 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ulp n GLY 44 N -1.71 -4.14 1.07 -7.48 0.00 -1.00 -4.95 105.19 86.98 1ulp n GLY 44 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 1ulp n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ulp n VAL 45 N -1.22 0.00 -1.56 1.61 0.31 -1.16 -4.70 118.33 111.60 1ulp n VAL 45 Ca 0.00 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1ulp n VAL 45 Cb 0.09 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1ulp n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ulp n GLY 46 N 2.92 -1.58 3.25 2.92 0.00 -1.02 -0.30 105.19 111.38 1ulp n GLY 46 Ca 0.05 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.46 -0.02 -0.03 1.61 1.01 0.26 -1.97 120.40 118.81 1ulp s VAL 47 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.11 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 0.03 -0.21 0.68 0.00 0.00 0.00 175.10 175.60 1ulp s VAL 48 N 0.94 1.67 -0.32 2.92 -7.23 0.17 -1.34 120.40 117.21 1ulp s VAL 48 Ca -0.06 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1ulp s VAL 48 Cb -0.06 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.58 1ulp s VAL 48 CO -0.07 0.47 0.11 -0.22 -0.31 0.00 0.00 175.10 175.08 1ulp s LEU 49 N -0.35 2.23 -0.69 1.32 2.96 -1.18 -2.54 118.68 120.43 1ulp s LEU 49 Ca 0.04 -1.74 -0.26 0.00 -0.22 0.00 0.00 54.13 51.95 1ulp s LEU 49 Cb -0.10 -0.86 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 1ulp s LEU 49 CO 0.00 -0.40 1.67 0.54 -1.32 0.00 0.00 176.35 176.84 1ulp s ASN 50 N 1.50 5.59 0.00 3.68 4.22 -1.26 -2.27 114.94 126.40 1ulp s ASN 50 Ca 0.11 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.77 1ulp s ASN 50 Cb -0.18 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.81 1ulp s ASN 50 CO -0.23 -2.20 0.00 0.61 -2.04 0.00 0.00 177.10 173.25 1ulp n GLY 51 N 5.73 -1.98 3.30 0.45 0.00 -1.14 -4.98 105.19 106.56 1ulp n GLY 51 Ca 0.17 0.94 -0.16 0.00 0.00 0.00 0.00 46.02 46.97 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 0.53 -0.46 1.61 1.01 -1.20 -3.64 120.40 118.25 1ulp s VAL 52 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.03 1ulp s VAL 52 Cb 0.00 -2.55 0.17 0.00 0.00 0.00 0.00 36.38 34.00 1ulp s VAL 52 CO 0.00 -0.07 0.37 0.00 0.00 0.00 0.00 175.10 175.40 1ulp n ALA 53 N -0.42 2.95 -2.57 5.51 0.00 -1.11 -4.24 120.51 120.64 1ulp n ALA 53 Ca -0.01 -3.36 -0.24 0.00 0.00 0.00 0.00 53.44 49.83 1ulp n ALA 53 Cb 0.66 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 1ulp n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ulp s ILE 54 N -0.25 3.07 -0.19 0.00 -1.09 -1.09 -4.84 121.20 116.81 1ulp s ILE 54 Ca 0.32 -2.03 -0.08 0.00 -2.23 0.00 0.00 60.65 56.63 1ulp s ILE 54 Cb 0.03 -2.61 0.08 0.00 -1.58 0.00 0.00 42.46 38.38 1ulp s ILE 54 CO -0.19 -0.33 0.42 -0.70 -1.23 0.00 0.00 174.94 172.91 1ulp s GLU 55 N -3.45 0.36 0.00 2.79 2.12 -1.11 -0.88 118.70 118.53 1ulp s GLU 55 Ca 0.30 0.94 0.00 0.00 0.36 0.00 0.00 54.97 56.56 1ulp s GLU 55 Cb -0.06 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1ulp s GLU 55 CO 0.17 -0.21 0.00 -0.85 -0.54 0.00 0.00 175.26 173.83 1ulp n GLU 56 N 4.91 0.00 -2.63 4.30 0.28 0.50 -3.55 120.64 124.45 1ulp n GLU 56 Ca -0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.44 1ulp n GLU 56 Cb 0.52 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.36 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 1.00 0.33 -1.84 0.00 -1.21 -2.35 107.32 103.26 1ulp s GLY 57 Ca 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.26 1ulp s GLY 57 CO 0.00 2.50 0.12 -1.59 0.00 0.00 0.00 173.10 174.14 1ulp s THR 58 N 5.32 0.60 0.31 0.90 2.01 -0.56 -4.92 115.64 119.29 1ulp s THR 58 Ca 0.32 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.23 1ulp s THR 58 Cb -0.10 -2.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.81 1ulp s THR 58 CO 0.14 0.00 0.62 -0.89 -0.69 0.00 0.00 174.62 173.80 1ulp s THR 59 N -3.45 4.91 0.12 -0.82 2.01 -1.26 -0.10 115.64 117.06 1ulp s THR 59 Ca 0.33 0.40 -0.22 0.00 0.31 0.00 0.00 61.69 62.50 1ulp s THR 59 Cb 0.05 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.94 1ulp s THR 59 CO 0.16 -0.29 0.57 -0.31 -0.69 0.00 0.00 174.62 174.05 1ulp s TYR 60 N -2.08 -0.48 -0.12 4.92 2.02 -0.41 -3.95 117.35 117.25 1ulp s TYR 60 Ca 0.48 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 57.51 1ulp s TYR 60 Cb -0.11 0.48 0.04 0.00 -0.40 0.00 0.00 41.96 41.96 1ulp s TYR 60 CO 0.27 -0.78 -0.02 0.99 -1.57 0.00 0.00 175.55 174.43 1ulp s THR 61 N -3.41 0.73 -0.23 -0.71 2.01 -1.22 -0.97 115.64 111.84 1ulp s THR 61 Ca -0.00 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 1ulp s THR 61 Cb -0.00 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1ulp s THR 61 CO -0.10 0.18 0.62 -0.22 -0.69 0.00 0.00 174.62 174.41 1ulp s LEU 62 N 1.81 4.10 -0.07 4.42 2.96 -0.13 -4.19 118.68 127.58 1ulp s LEU 62 Ca 0.03 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 1ulp s LEU 62 Cb -0.14 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.71 1ulp s LEU 62 CO -0.07 -0.32 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.87 1ulp s ARG 63 N 2.23 2.04 -0.21 1.98 3.52 -1.16 -2.91 118.95 124.44 1ulp s ARG 63 Ca 0.27 -0.59 -0.28 0.00 -0.13 0.00 0.00 55.73 55.00 1ulp s ARG 63 Cb -0.16 -1.66 0.13 0.00 -1.56 0.00 0.00 34.95 31.71 1ulp s ARG 63 CO 0.09 0.14 1.06 1.52 -0.81 0.00 0.00 175.30 177.30 1ulp s TYR 64 N 0.37 -0.36 -0.33 5.12 -0.85 -0.87 -2.04 117.35 118.39 1ulp s TYR 64 Ca -0.12 0.71 0.03 0.00 -0.52 0.00 0.00 57.07 57.18 1ulp s TYR 64 Cb -0.15 0.43 0.10 0.00 0.38 0.00 0.00 41.96 42.72 1ulp s TYR 64 CO 0.04 -0.27 0.04 0.99 -1.52 0.00 0.00 175.55 174.83 1ulp s THR 65 N -0.66 2.34 0.09 -3.49 2.01 -1.26 0.12 115.64 114.78 1ulp s THR 65 Ca 0.01 -2.23 0.03 0.00 0.31 0.00 0.00 61.69 59.80 1ulp s THR 65 Cb -0.02 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1ulp s THR 65 CO -0.02 -0.53 0.10 0.00 -0.69 0.00 0.00 174.62 173.48 1ulp s ALA 66 N 0.94 3.62 -0.26 7.40 0.00 -1.03 -2.59 121.76 129.85 1ulp s ALA 66 Ca 0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1ulp s ALA 66 Cb -0.19 -1.47 0.14 0.00 0.00 0.00 0.00 23.12 21.59 1ulp s ALA 66 CO -0.07 0.72 0.36 0.99 0.00 0.00 0.00 175.76 177.76 1ulp s THR 67 N -1.46 -0.56 -0.19 0.00 2.01 -0.92 -2.54 115.64 111.98 1ulp s THR 67 Ca 0.30 -0.18 -0.14 0.00 0.31 0.00 0.00 61.69 61.98 1ulp s THR 67 Cb -0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1ulp s THR 67 CO 0.23 -0.21 0.33 0.00 -0.69 0.00 0.00 174.62 174.28 1ulp s ALA 68 N 2.50 3.57 0.59 7.40 0.00 -1.13 -2.81 121.76 131.88 1ulp s ALA 68 Ca 0.11 -0.54 0.34 0.00 0.00 0.00 0.00 51.96 51.87 1ulp s ALA 68 Cb -0.15 -2.51 1.27 0.00 0.00 0.00 0.00 23.12 21.74 1ulp s ALA 68 CO -0.21 -0.14 1.50 1.03 0.00 0.00 0.00 175.76 177.94 1ulp h SER 69 N 7.13 0.00 -2.20 0.00 0.87 -1.69 -3.25 113.55 114.41 1ulp h SER 69 Ca -0.38 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.65 1ulp h SER 69 Cb 1.16 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 1ulp h SER 69 CO 0.72 0.00 -0.57 0.28 -0.53 0.00 0.00 176.83 176.73 1ulp s THR 70 N -4.62 4.08 -1.29 2.23 -1.32 -1.26 -4.28 115.64 109.18 1ulp s THR 70 Ca -0.04 -1.59 -0.18 0.00 -1.21 0.00 0.00 61.69 58.67 1ulp s THR 70 Cb 0.18 -3.20 0.04 0.00 -1.51 0.00 0.00 72.50 68.02 1ulp s THR 70 CO 0.62 -0.36 1.83 -0.67 -2.21 0.00 0.00 174.62 173.83 1ulp n ASP 71 N -1.07 4.50 -4.72 8.08 -0.08 -1.26 -3.47 116.55 118.53 1ulp n ASP 71 Ca -0.07 -2.87 -0.32 0.00 -1.51 0.00 0.00 54.79 50.01 1ulp n ASP 71 Cb 0.58 -1.72 -0.08 0.00 2.34 0.00 0.00 41.12 42.24 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 5.11 4.36 -0.45 5.18 0.11 -0.90 -4.84 120.40 128.96 1ulp s VAL 72 Ca 0.55 -0.58 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1ulp s VAL 72 Cb 0.05 -2.98 0.13 0.00 -1.53 0.00 0.00 36.38 32.05 1ulp s VAL 72 CO 0.07 0.33 0.22 -0.89 -3.33 0.00 0.00 175.10 171.50 1ulp s THR 73 N -1.16 1.81 0.00 5.04 2.01 -1.26 0.03 115.64 122.11 1ulp s THR 73 Ca 0.22 -2.71 0.00 0.00 0.31 0.00 0.00 61.69 59.51 1ulp s THR 73 Cb -0.12 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1ulp s THR 73 CO 0.13 -0.83 0.00 1.33 -0.69 0.00 0.00 174.62 174.56 1ulp n VAL 74 N 3.54 0.00 -4.61 3.82 0.24 -1.01 -4.84 118.33 115.47 1ulp n VAL 74 Ca 0.06 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.13 1ulp n VAL 74 Cb 0.35 -0.32 -0.16 0.00 -1.47 0.00 0.00 33.84 32.24 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 1.85 1.32 0.06 7.34 0.52 -0.92 -3.05 118.95 126.07 1ulp s ARG 75 Ca 0.00 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1ulp s ARG 75 Cb 0.00 -1.19 -0.03 0.00 0.52 0.00 0.00 34.95 34.25 1ulp s ARG 75 CO 0.00 0.20 -0.08 0.00 0.02 0.00 0.00 175.30 175.44 1ulp s ALA 76 N 0.04 0.75 0.00 2.13 0.00 -0.74 -1.70 121.76 122.23 1ulp s ALA 76 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1ulp s ALA 76 Cb -0.09 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1ulp s ALA 76 CO 0.01 -0.09 0.00 1.47 0.00 0.00 0.00 175.76 177.15 1ulp n LEU 77 N 0.92 0.00 -4.02 0.00 -0.00 -0.30 -2.96 117.00 110.64 1ulp n LEU 77 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.73 1ulp n LEU 77 Cb 0.57 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.93 1ulp n LEU 77 CO 0.24 0.00 0.15 -0.69 -0.00 0.00 0.00 177.39 177.09 1ulp s VAL 78 N -1.00 0.00 0.00 1.47 1.01 -1.26 -1.84 120.40 118.78 1ulp s VAL 78 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1ulp s VAL 78 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.12 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 1.18 3.18 4.51 0.00 -1.16 -3.17 105.19 109.34 1ulp n GLY 79 Ca -0.01 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 0.27 2.90 -1.43 1.61 -0.44 -1.17 -2.64 119.66 118.76 1ulp s GLN 80 Ca 0.00 -0.82 -0.11 0.00 -2.50 0.00 0.00 55.36 51.92 1ulp s GLN 80 Cb 0.00 -2.26 0.06 0.00 -1.64 0.00 0.00 33.01 29.18 1ulp s GLN 80 CO 0.00 0.10 2.26 0.09 0.50 0.00 0.00 175.29 178.24 1ulp n ASN 81 N 3.75 5.31 0.00 6.67 5.03 0.78 -4.50 115.26 132.30 1ulp n ASN 81 Ca -0.20 -2.90 0.00 0.00 0.87 0.00 0.00 54.58 52.36 1ulp n ASN 81 Cb 0.52 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 37.71 1ulp n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ulp n GLY 82 N 3.46 3.01 3.71 7.41 0.00 -1.26 -3.08 105.19 118.44 1ulp n GLY 82 Ca 0.54 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 83 N -1.14 1.93 -2.00 4.61 0.00 -1.26 0.01 121.76 123.92 1ulp s ALA 83 Ca 0.00 0.78 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1ulp s ALA 83 Cb 0.00 -3.46 0.31 0.00 0.00 0.00 0.00 23.12 19.96 1ulp s ALA 83 CO 0.00 -2.15 1.07 -0.35 0.00 0.00 0.00 175.76 174.33 1ulp n PRO 84 N -3.21 0.86 -0.75 0.00 -0.04 -1.26 -5.03 135.00 125.58 1ulp n PRO 84 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1ulp n PRO 84 Cb 0.51 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.59 -2.01 -3.17 0.54 4.01 0.10 -5.05 117.16 110.98 1ulp n TYR 85 Ca 0.04 1.11 0.05 0.00 -0.16 0.00 0.00 57.90 58.94 1ulp n TYR 85 Cb 0.02 -1.85 -0.03 0.00 -0.31 0.00 0.00 39.34 37.17 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 -5.40 0.02 0.19 2.72 0.00 -1.26 -4.94 107.32 98.66 1ulp s GLY 86 Ca 0.00 3.29 -0.13 0.00 0.00 0.00 0.00 44.72 47.88 1ulp s GLY 86 CO 0.00 3.70 0.57 -0.51 0.00 0.00 0.00 173.10 176.86 1ulp s THR 87 N 2.61 4.86 -0.00 0.90 -4.23 -1.26 -3.07 115.64 115.45 1ulp s THR 87 Ca -0.05 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1ulp s THR 87 Cb -0.06 -3.69 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 1ulp s THR 87 CO -0.11 0.09 0.00 1.33 -0.54 0.00 0.00 174.62 175.39 1ulp n VAL 88 N 0.37 0.00 -4.17 2.29 0.24 -1.19 -4.82 118.33 111.05 1ulp n VAL 88 Ca -0.02 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.95 1ulp n VAL 88 Cb 0.52 -0.10 -0.08 0.00 -1.47 0.00 0.00 33.84 32.71 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 -3.40 3.75 -0.47 1.34 1.02 -1.25 -4.80 118.68 114.87 1ulp s LEU 89 Ca -0.00 0.08 0.06 0.00 0.02 0.00 0.00 54.13 54.29 1ulp s LEU 89 Cb 0.00 -2.17 0.19 0.00 0.02 0.00 0.00 46.19 44.23 1ulp s LEU 89 CO 0.00 0.27 0.59 -0.67 0.02 0.00 0.00 176.35 176.56 1ulp n ASP 90 N 1.25 -2.05 -4.14 2.29 2.03 -1.26 -4.08 116.55 110.59 1ulp n ASP 90 Ca -0.14 -2.74 -0.12 0.00 0.52 0.00 0.00 54.79 52.31 1ulp n ASP 90 Cb 0.53 0.74 -0.10 0.00 -0.72 0.00 0.00 41.12 41.57 1ulp n ASP 90 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ulp s THR 91 N 0.40 0.00 -0.21 5.18 -4.23 -1.16 -5.08 115.64 110.54 1ulp s THR 91 Ca 0.32 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1ulp s THR 91 Cb 0.05 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.43 1ulp s THR 91 CO -0.13 0.00 -0.16 -0.44 -0.54 0.00 0.00 174.62 173.35 1ulp s SER 92 N -3.17 3.70 0.07 3.99 0.01 -1.26 -1.79 113.70 115.24 1ulp s SER 92 Ca 0.39 -0.98 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 1ulp s SER 92 Cb 0.07 -1.50 -0.07 0.00 0.21 0.00 0.00 66.02 64.72 1ulp s SER 92 CO 0.13 -0.08 1.35 -2.16 0.41 0.00 0.00 173.24 172.88 1ulp s PRO 93 N 1.21 4.34 0.13 12.44 0.04 -1.17 -4.89 135.00 147.09 1ulp s PRO 93 Ca -0.01 1.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 1ulp s PRO 93 Cb -0.16 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 1ulp s PRO 93 CO -0.09 -0.43 0.41 0.00 0.04 0.00 0.00 177.00 176.93 1ulp s ALA 94 N 1.42 3.73 0.05 8.56 0.00 -1.26 -2.39 121.76 131.87 1ulp s ALA 94 Ca 0.63 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 1ulp s ALA 94 Cb -0.34 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1ulp s ALA 94 CO 0.29 0.60 0.01 -0.51 0.00 0.00 0.00 175.76 176.15 1ulp s LEU 95 N -2.40 2.25 0.00 0.00 1.43 0.10 -4.90 118.68 115.17 1ulp s LEU 95 Ca 0.39 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ulp s LEU 95 Cb -0.13 0.31 0.00 0.00 0.03 0.00 0.00 46.19 46.41 1ulp s LEU 95 CO 0.21 -0.54 0.00 1.07 0.23 0.00 0.00 176.35 177.32 1ulp n THR 96 N 0.47 0.00 -0.37 5.49 5.66 -1.23 -2.13 114.28 122.18 1ulp n THR 96 Ca -0.17 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.70 1ulp n THR 96 Cb 0.60 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.44 1ulp n THR 96 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ulp n SER 97 N 0.00 4.59 -3.97 1.09 2.88 -1.24 -2.86 113.62 114.11 1ulp n SER 97 Ca 0.00 -2.86 -0.09 0.00 -1.33 0.00 0.00 58.87 54.59 1ulp n SER 97 Cb 0.00 -0.82 -0.06 0.00 -0.75 0.00 0.00 64.21 62.58 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulp s GLU 98 N -1.60 1.39 0.03 -1.46 2.02 -1.26 -5.06 118.70 112.76 1ulp s GLU 98 Ca 0.27 -1.21 -0.30 0.00 0.02 0.00 0.00 54.97 53.75 1ulp s GLU 98 Cb 0.22 0.43 -0.06 0.00 0.10 0.00 0.00 34.13 34.83 1ulp s GLU 98 CO 0.03 -0.56 1.29 -1.25 0.02 0.00 0.00 175.26 174.80 1ulp s PRO 99 N -4.00 4.35 -0.49 0.39 0.04 -1.26 -4.56 135.00 129.47 1ulp s PRO 99 Ca 0.21 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.15 1ulp s PRO 99 Cb 0.01 -3.43 0.13 0.00 0.04 0.00 0.00 34.50 31.25 1ulp s PRO 99 CO 0.05 -0.42 0.24 0.50 0.04 0.00 0.00 177.00 177.41 1ulp s ARG 100 N 1.66 1.93 0.44 4.56 3.52 -1.05 -5.01 118.95 125.00 1ulp s ARG 100 Ca 0.61 -2.49 -0.23 0.00 -0.13 0.00 0.00 55.73 53.49 1ulp s ARG 100 Cb -0.31 -3.33 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 1ulp s ARG 100 CO 0.27 -1.08 1.07 -0.65 -0.81 0.00 0.00 175.30 174.10 1ulp s GLN 101 N -0.07 3.97 -0.05 5.12 1.11 -1.26 -2.45 119.66 126.03 1ulp s GLN 101 Ca 0.16 1.53 0.05 0.00 0.01 0.00 0.00 55.36 57.11 1ulp s GLN 101 Cb -0.24 -2.39 -0.01 0.00 -1.01 0.00 0.00 33.01 29.36 1ulp s GLN 101 CO -0.02 -0.31 -0.20 0.08 0.01 0.00 0.00 175.29 174.85 1ulp s VAL 102 N -1.71 1.64 -0.32 1.09 1.01 0.12 -4.93 120.40 117.29 1ulp s VAL 102 Ca 0.62 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1ulp s VAL 102 Cb -0.22 -1.40 0.15 0.00 0.00 0.00 0.00 36.38 34.92 1ulp s VAL 102 CO 0.27 0.46 0.38 -0.89 0.00 0.00 0.00 175.10 175.33 1ulp s THR 103 N -0.02 -0.51 0.06 3.92 2.01 -1.25 -2.70 115.64 117.16 1ulp s THR 103 Ca -0.04 -0.53 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1ulp s THR 103 Cb -0.12 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1ulp s THR 103 CO 0.03 -0.40 0.05 -1.61 -0.69 0.00 0.00 174.62 171.99 1ulp s GLU 104 N 2.14 0.69 0.42 4.92 2.02 -1.15 -5.00 118.70 122.75 1ulp s GLU 104 Ca 0.12 -1.13 0.07 0.00 0.02 0.00 0.00 54.97 54.04 1ulp s GLU 104 Cb -0.13 0.26 -0.05 0.00 0.10 0.00 0.00 34.13 34.30 1ulp s GLU 104 CO -0.22 -0.17 0.16 -0.08 0.02 0.00 0.00 175.26 174.97 1ulp s THR 105 N -3.90 2.18 -0.18 3.63 -1.32 -1.26 -0.95 115.64 113.83 1ulp s THR 105 Ca 0.07 -1.75 -0.31 0.00 -1.21 0.00 0.00 61.69 58.49 1ulp s THR 105 Cb 0.07 -2.93 0.14 0.00 -1.51 0.00 0.00 72.50 68.28 1ulp s THR 105 CO -0.10 0.00 1.14 0.72 -2.21 0.00 0.00 174.62 174.17 1ulp s PHE 106 N -2.64 -0.21 -0.92 9.09 -0.71 -0.15 -4.93 117.98 117.51 1ulp s PHE 106 Ca 0.38 0.28 -0.19 0.00 -1.04 0.00 0.00 56.93 56.37 1ulp s PHE 106 Cb 0.05 0.49 0.13 0.00 -1.21 0.00 0.00 43.02 42.48 1ulp s PHE 106 CO 0.21 -0.24 1.10 0.99 -1.34 0.00 0.00 175.22 175.94 1ulp s THR 107 N -1.67 4.75 -0.24 -4.49 2.01 -1.26 -1.29 115.64 113.46 1ulp s THR 107 Ca 0.05 -1.57 -0.33 0.00 0.31 0.00 0.00 61.69 60.14 1ulp s THR 107 Cb -0.01 -4.76 -0.10 0.00 0.01 0.00 0.00 72.50 67.64 1ulp s THR 107 CO -0.04 -1.48 2.09 0.00 -0.69 0.00 0.00 174.62 174.50 1ulp n ALA 108 N 6.48 1.13 -2.12 7.40 0.00 0.86 -4.62 120.51 129.64 1ulp n ALA 108 Ca 0.23 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.30 1ulp n ALA 108 Cb 0.49 -2.61 0.01 0.00 0.00 0.00 0.00 19.45 17.35 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 9.13 7.39 0.00 0.00 3.41 -1.26 -1.49 113.62 130.80 1ulp n SER 109 Ca 0.32 -3.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 1ulp n SER 109 Cb 0.29 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 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 0.13 0.00 -3.61 7.33 0.00 -0.99 -4.81 120.51 118.56 1ulp n ALA 110 Ca 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1ulp n ALA 110 Cb 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.57 -0.45 -0.79 0.00 2.01 -1.26 0.19 115.64 112.77 1ulp s THR 111 Ca 0.00 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.21 1ulp s THR 111 Cb 0.00 -0.53 0.19 0.00 0.01 0.00 0.00 72.50 72.17 1ulp s THR 111 CO 0.00 0.05 0.62 -0.31 -0.69 0.00 0.00 174.62 174.29 1ulp s TYR 112 N 2.45 3.72 0.00 4.92 2.02 -0.06 -4.52 117.35 125.87 1ulp s TYR 112 Ca 0.03 -3.21 0.00 0.00 -0.37 0.00 0.00 57.07 53.52 1ulp s TYR 112 Cb -0.13 -2.94 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 1ulp s TYR 112 CO -0.10 -0.63 0.00 -0.35 -1.57 0.00 0.00 175.55 172.90 1ulp n PRO 113 N 2.14 0.19 -2.70 -1.71 -0.04 -1.26 -2.67 135.00 128.94 1ulp n PRO 113 Ca 0.20 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1ulp n PRO 113 Cb 0.36 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.86 1ulp n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 114 N -3.00 3.09 -3.41 0.55 0.00 -1.26 -3.50 120.51 112.98 1ulp n ALA 114 Ca 0.00 -2.90 -0.26 0.00 0.00 0.00 0.00 53.44 50.28 1ulp n ALA 114 Cb 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 1ulp n ALA 114 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ulp n THR 115 N -0.24 0.98 -2.31 0.00 -2.24 -1.26 -5.04 114.28 104.16 1ulp n THR 115 Ca 0.07 -4.63 -0.43 0.00 -2.27 0.00 0.00 64.05 56.80 1ulp n THR 115 Cb 0.82 -2.03 -0.02 0.00 -2.10 0.00 0.00 70.33 67.00 1ulp n THR 115 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ulp s PRO 116 N -1.71 4.25 0.00 -0.78 0.04 -1.17 -4.26 135.00 131.37 1ulp s PRO 116 Ca 0.36 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1ulp s PRO 116 Cb 0.12 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1ulp s PRO 116 CO -0.08 -0.68 0.00 0.00 0.04 0.00 0.00 177.00 176.28 1ulp n ALA 117 N 6.32 0.00 0.80 8.56 0.00 -0.41 -4.92 120.51 130.85 1ulp n ALA 117 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1ulp n ALA 117 Cb 0.44 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.38 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 -3.00 2.03 -1.97 0.00 0.00 -1.26 -3.83 120.51 112.48 1ulp n ALA 118 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ulp n ALA 118 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1ulp n ALA 118 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ulp n ASP 119 N -1.47 0.00 -3.64 0.00 5.68 -1.26 -5.03 116.55 110.82 1ulp n ASP 119 Ca 0.06 -1.21 -0.29 0.00 -0.50 0.00 0.00 54.79 52.84 1ulp n ASP 119 Cb 0.25 -0.04 -0.13 0.00 -1.14 0.00 0.00 41.12 40.06 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ulp s ASP 120 N -0.21 3.46 0.00 -1.12 1.11 -1.25 -5.11 116.67 113.55 1ulp s ASP 120 Ca 0.00 -2.47 0.00 0.00 0.18 0.00 0.00 52.55 50.26 1ulp s ASP 120 Cb 0.00 -0.85 0.00 0.00 1.07 0.00 0.00 42.92 43.14 1ulp s ASP 120 CO 0.00 -0.28 0.00 -0.81 1.18 0.00 0.00 175.17 175.26 1ulp n PRO 121 N 3.72 1.15 0.00 8.23 -0.04 -1.26 -1.29 135.00 145.52 1ulp n PRO 121 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1ulp n PRO 121 Cb 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 -3.89 0.54 0.00 -1.18 -4.30 120.64 111.81 1ulp n GLU 122 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1ulp n GLU 122 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulp s GLY 123 N 0.00 0.13 0.00 -1.84 0.00 -1.23 -0.15 107.32 104.22 1ulp s GLY 123 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1ulp s GLY 123 CO 0.00 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.94 1ulp n GLN 124 N 0.22 0.00 -4.49 2.90 10.64 -1.08 -2.89 117.38 122.68 1ulp n GLN 124 Ca -0.16 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.71 1ulp n GLN 124 Cb 0.61 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.86 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 -2.07 2.39 -0.19 -0.39 1.01 -0.96 -3.00 121.20 117.99 1ulp s ILE 125 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 60.65 59.04 1ulp s ILE 125 Cb 0.00 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1ulp s ILE 125 CO 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 174.94 174.95 1ulp s ALA 126 N -1.02 2.49 -0.62 9.38 0.00 -0.77 -3.11 121.76 128.11 1ulp s ALA 126 Ca 0.14 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.96 1ulp s ALA 126 Cb -0.10 -1.35 0.19 0.00 0.00 0.00 0.00 23.12 21.86 1ulp s ALA 126 CO 0.06 -0.37 0.52 1.19 0.00 0.00 0.00 175.76 177.16 1ulp n PHE 127 N 4.66 2.30 -3.02 0.00 3.01 -0.45 -1.15 117.46 122.82 1ulp n PHE 127 Ca -0.20 -4.04 -0.41 0.00 1.01 0.00 0.00 57.45 53.81 1ulp n PHE 127 Cb 0.50 -0.43 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.36 4.18 -0.73 -1.08 -0.21 -0.69 0.92 119.66 120.69 1ulp s GLN 128 Ca 0.30 0.74 -0.00 0.00 0.02 0.00 0.00 55.36 56.42 1ulp s GLN 128 Cb 0.02 -3.62 0.38 0.00 1.00 0.00 0.00 33.01 30.79 1ulp s GLN 128 CO -0.14 -0.40 1.79 1.28 -2.12 0.00 0.00 175.29 175.70 1ulp n LEU 129 N 5.60 6.81 -4.80 2.90 4.77 0.60 -2.16 117.00 130.72 1ulp n LEU 129 Ca 0.02 -4.90 -0.38 0.00 -0.03 0.00 0.00 56.01 50.72 1ulp n LEU 129 Cb 0.49 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1ulp n LEU 129 CO 0.45 1.87 0.19 -0.83 -1.33 0.00 0.00 177.39 177.73 1ulp s GLY 130 N -1.77 2.54 -0.03 -0.72 0.00 -1.17 -3.00 107.32 103.17 1ulp s GLY 130 Ca 0.52 -0.11 -0.00 0.00 0.00 0.00 0.00 44.72 45.13 1ulp s GLY 130 CO -0.33 0.42 0.01 0.61 0.00 0.00 0.00 173.10 173.80 1ulp n GLY 131 N 2.11 -0.46 1.01 0.20 0.00 -0.54 -4.85 105.19 102.65 1ulp n GLY 131 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.63 -0.93 -2.58 1.61 3.72 -1.26 -4.95 117.46 114.69 1ulp n PHE 132 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.14 1ulp n PHE 132 Cb 0.33 0.25 0.03 0.00 -0.94 0.00 0.00 39.48 39.15 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 -0.03 5.48 -0.16 4.37 0.15 -1.26 -4.68 113.70 117.57 1ulp s SER 133 Ca 0.00 0.41 -0.16 0.00 0.70 0.00 0.00 55.95 56.90 1ulp s SER 133 Cb 0.00 -1.40 -0.06 0.00 -1.71 0.00 0.00 66.02 62.85 1ulp s SER 133 CO 0.00 -1.06 -0.32 0.00 1.20 0.00 0.00 173.24 173.06 1ulp n ALA 134 N -2.44 1.09 -1.71 5.45 0.00 -1.26 -3.12 120.51 118.52 1ulp n ALA 134 Ca 0.05 -0.76 -0.34 0.00 0.00 0.00 0.00 53.44 52.39 1ulp n ALA 134 Cb 0.58 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -6.00 5.86 0.16 0.00 1.11 -1.26 0.25 116.67 116.80 1ulp s ASP 135 Ca -0.27 1.94 -0.33 0.00 0.18 0.00 0.00 52.55 54.07 1ulp s ASP 135 Cb 0.04 -2.55 -0.16 0.00 1.07 0.00 0.00 42.92 41.32 1ulp s ASP 135 CO 0.39 -1.11 1.23 0.00 1.18 0.00 0.00 175.17 176.86 1ulp n ALA 136 N -1.62 -0.57 -3.40 5.23 0.00 -1.26 -4.14 120.51 114.75 1ulp n ALA 136 Ca 0.10 0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.95 1ulp n ALA 136 Cb 0.52 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 1ulp n ALA 136 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1ulp n TRP 137 N 1.77 -0.73 -3.95 0.00 2.14 -0.45 -4.76 117.44 111.45 1ulp n TRP 137 Ca 0.15 -0.91 -0.12 0.00 2.07 0.00 0.00 57.50 58.70 1ulp n TRP 137 Cb 0.24 0.19 -0.01 0.00 -0.81 0.00 0.00 31.31 30.93 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 -2.56 0.00 -0.10 -1.67 2.01 -1.26 -0.95 115.64 111.11 1ulp s THR 138 Ca 0.12 -1.30 -0.03 0.00 0.31 0.00 0.00 61.69 60.79 1ulp s THR 138 Cb -0.00 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.79 1ulp s THR 138 CO 0.08 0.00 0.05 -0.76 -0.69 0.00 0.00 174.62 173.30 1ulp s LEU 139 N -3.16 0.45 -0.41 4.42 1.02 -1.16 -3.94 118.68 115.89 1ulp s LEU 139 Ca 0.23 -0.27 -0.12 0.00 0.02 0.00 0.00 54.13 53.99 1ulp s LEU 139 Cb -0.03 -0.30 0.05 0.00 0.02 0.00 0.00 46.19 45.93 1ulp s LEU 139 CO 0.16 -0.27 0.28 0.00 0.02 0.00 0.00 176.35 176.54 1ulp s LEU 141 N 1.55 2.95 0.00 0.00 1.43 -1.00 -2.16 118.68 121.45 1ulp s LEU 141 Ca 0.03 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1ulp s LEU 141 Cb -0.21 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1ulp s LEU 141 CO 0.06 -1.85 0.00 -0.90 0.23 0.00 0.00 176.35 173.89 1ulp n ASP 142 N -2.74 0.00 0.00 2.29 5.68 -1.07 -1.77 116.55 118.94 1ulp n ASP 142 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1ulp n ASP 142 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 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 -0.82 -4.39 116.55 113.64 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 0.04 2.53 1.01 0.07 -2.05 120.40 126.86 1ulp s VAL 144 Ca 0.00 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.71 1ulp s VAL 144 Cb 0.00 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1ulp s VAL 144 CO 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 175.10 174.93 1ulp s ALA 145 N 2.79 -0.12 -0.10 5.51 0.00 -0.86 -2.82 121.76 126.15 1ulp s ALA 145 Ca 0.27 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.59 1ulp s ALA 145 Cb -0.14 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1ulp s ALA 145 CO 0.14 -0.34 0.32 -1.17 0.00 0.00 0.00 175.76 174.71 1ulp s LEU 146 N -2.20 0.79 0.33 0.00 2.96 -1.26 -2.96 118.68 116.35 1ulp s LEU 146 Ca -0.04 0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 54.35 1ulp s LEU 146 Cb -0.00 1.12 0.01 0.00 0.50 0.00 0.00 46.19 47.82 1ulp s LEU 146 CO -0.05 -0.17 0.54 -0.62 -1.32 0.00 0.00 176.35 174.74 1ulp s ASP 147 N -0.09 0.52 0.36 3.68 -1.08 -1.26 -4.93 116.67 113.87 1ulp s ASP 147 Ca -0.02 -1.30 0.05 0.00 -0.52 0.00 0.00 52.55 50.75 1ulp s ASP 147 Cb -0.03 0.69 -0.03 0.00 -1.46 0.00 0.00 42.92 42.09 1ulp s ASP 147 CO 0.01 -1.35 0.19 -0.94 0.52 0.00 0.00 175.17 173.60 1ulp s SER 148 N -3.16 2.10 -0.04 -0.34 1.04 -1.26 -3.41 113.70 108.63 1ulp s SER 148 Ca 0.26 -1.69 -0.00 0.00 0.48 0.00 0.00 55.95 54.99 1ulp s SER 148 Cb -0.01 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.58 1ulp s SER 148 CO 0.16 -0.98 0.01 -0.70 0.98 0.00 0.00 173.24 172.71 1ulp s GLU 149 N -3.63 2.91 -0.15 4.02 2.56 -1.25 -4.98 118.70 118.18 1ulp s GLU 149 Ca 0.33 -0.50 0.15 0.00 0.00 0.00 0.00 54.97 54.95 1ulp s GLU 149 Cb 0.03 -2.75 0.42 0.00 2.00 0.00 0.00 34.13 33.83 1ulp s GLU 149 CO 0.20 0.67 1.21 1.55 -0.56 0.00 0.00 175.26 178.32 1ulp n VAL 150 N 1.72 1.58 -4.95 3.70 3.14 -1.26 -4.85 118.33 117.42 1ulp n VAL 150 Ca -0.16 -2.61 0.00 0.00 -2.96 0.00 0.00 64.34 58.60 1ulp n VAL 150 Cb 0.53 0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 1ulp n VAL 150 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ulp n GLU 151 N -0.66 0.00 0.00 1.45 1.02 -1.26 -5.29 120.64 115.90 1ulp n GLU 151 Ca 0.15 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.34 1ulp n GLU 151 Cb 0.82 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.49 1ulp n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59