#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 -1.01 -3.19 0.00 2.88 -1.26 -5.08 113.62 105.96 1ulp n SER 2 Ca 0.00 -1.52 0.00 0.00 -1.33 0.00 0.00 58.87 56.02 1ulp n SER 2 Cb 0.00 1.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 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 0.37 1.67 0.00 -1.46 -0.04 -1.26 -3.90 135.00 130.38 1ulp n PRO 3 Ca -0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1ulp n PRO 3 Cb 0.75 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.32 1ulp n PRO 3 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ulp n ILE 4 N -0.12 0.00 -0.79 0.52 -5.35 -1.26 -4.81 119.36 107.56 1ulp n ILE 4 Ca 0.00 -0.04 0.06 0.00 -0.27 0.00 0.00 62.75 62.49 1ulp n ILE 4 Cb 0.00 0.63 -0.03 0.00 -1.74 0.00 0.00 39.64 38.50 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 1.47 -3.20 3.57 3.28 0.00 -1.26 -4.41 105.19 104.64 1ulp n GLY 5 Ca 0.06 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 1ulp n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ulp s GLU 6 N -4.10 2.84 -0.11 1.61 2.02 -1.26 -4.61 118.70 115.09 1ulp s GLU 6 Ca 0.00 -1.11 -0.23 0.00 0.02 0.00 0.00 54.97 53.65 1ulp s GLU 6 Cb 0.00 -5.26 -0.03 0.00 0.10 0.00 0.00 34.13 28.94 1ulp s GLU 6 CO 0.00 -3.43 0.71 0.20 0.02 0.00 0.00 175.26 172.76 1ulp s GLY 7 N 6.35 2.40 0.00 -1.39 0.00 -1.26 -4.92 107.32 108.50 1ulp s GLY 7 Ca 0.65 0.03 0.20 0.00 0.00 0.00 0.00 44.72 45.59 1ulp s GLY 7 CO 0.08 1.30 1.67 -1.30 0.00 0.00 0.00 173.10 174.84 1ulp n THR 8 N 4.15 0.00 -1.28 0.90 -2.24 -1.26 -2.55 114.28 112.01 1ulp n THR 8 Ca -0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1ulp n THR 8 Cb 0.50 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.86 -0.12 -0.42 4.78 3.01 -1.26 -4.11 117.46 118.48 1ulp n PHE 9 Ca 0.15 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.70 1ulp n PHE 9 Cb 0.07 -2.61 0.33 0.00 -0.01 0.00 0.00 39.48 37.26 1ulp n PHE 9 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ulp n ASP 10 N -0.74 4.38 0.00 4.37 5.75 -1.25 -1.74 116.55 127.32 1ulp n ASP 10 Ca -0.12 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 1ulp n ASP 10 Cb 0.51 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ulp n ASP 11 N 1.14 0.00 0.00 -1.12 2.03 -1.26 -4.57 116.55 112.76 1ulp n ASP 11 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1ulp n ASP 11 Cb 0.80 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ulp n GLY 12 N 0.00 0.54 1.71 0.27 0.00 -1.26 -4.95 105.19 101.50 1ulp n GLY 12 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 1.40 0.00 1.61 -0.04 -1.26 -4.68 135.00 132.04 1ulp n PRO 13 Ca 0.00 -0.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1ulp n PRO 13 Cb 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 1ulp n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ulp n GLU 14 N 1.64 0.00 -1.59 0.54 4.07 -1.26 -1.63 120.64 122.41 1ulp n GLU 14 Ca 0.17 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.24 1ulp n GLU 14 Cb 0.62 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 32.00 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ulp n GLY 15 N 0.00 1.02 3.57 8.31 0.00 -1.26 -5.04 105.19 111.78 1ulp n GLY 15 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.34 1.96 0.35 1.61 0.52 -0.65 -4.28 118.94 118.11 1ulp s TRP 16 Ca 0.13 0.34 -0.20 0.00 0.02 0.00 0.00 56.10 56.39 1ulp s TRP 16 Cb 0.21 -4.13 -0.10 0.00 -1.15 0.00 0.00 33.47 28.31 1ulp s TRP 16 CO -0.07 -1.61 0.86 0.14 0.02 0.00 0.00 176.95 176.29 1ulp s VAL 17 N 9.61 4.45 -0.09 4.03 -7.23 -0.52 -4.91 120.40 125.74 1ulp s VAL 17 Ca 0.67 1.40 -0.01 0.00 -1.81 0.00 0.00 61.98 62.23 1ulp s VAL 17 Cb -0.04 -3.73 0.03 0.00 0.56 0.00 0.00 36.38 33.20 1ulp s VAL 17 CO 0.03 -0.11 -0.01 0.00 -0.31 0.00 0.00 175.10 174.70 1ulp s ALA 18 N -1.91 0.86 -0.09 1.32 0.00 -1.26 -1.24 121.76 119.43 1ulp s ALA 18 Ca 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1ulp s ALA 18 Cb -0.13 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 1ulp s ALA 18 CO 0.18 -0.48 -0.03 1.52 0.00 0.00 0.00 175.76 176.94 1ulp s TYR 19 N 1.91 3.05 0.00 0.00 -0.85 -0.48 -4.61 117.35 116.36 1ulp s TYR 19 Ca 0.05 0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 1ulp s TYR 19 Cb -0.13 -1.79 0.00 0.00 0.38 0.00 0.00 41.96 40.42 1ulp s TYR 19 CO -0.06 0.32 0.00 0.41 -1.52 0.00 0.00 175.55 174.70 1ulp n GLY 20 N 2.44 0.00 1.93 5.49 0.00 -1.26 -1.96 105.19 111.82 1ulp n GLY 20 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.21 2.61 -2.24 -1.26 -4.38 114.28 107.81 1ulp n THR 21 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ulp n THR 21 Cb 0.00 -1.04 0.08 0.00 -2.10 0.00 0.00 70.33 67.28 1ulp n THR 21 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ulp n ASP 22 N -0.20 6.90 0.00 3.42 5.68 -1.26 -4.96 116.55 126.14 1ulp n ASP 22 Ca -0.10 -3.61 0.00 0.00 -0.50 0.00 0.00 54.79 50.57 1ulp n ASP 22 Cb 0.37 -0.97 0.00 0.00 -1.14 0.00 0.00 41.12 39.38 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ulp n GLY 23 N -0.71 0.73 3.69 6.12 0.00 -1.26 -4.30 105.19 109.46 1ulp n GLY 23 Ca 0.56 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 4.33 0.08 1.61 0.04 -1.26 -4.91 135.00 134.90 1ulp s PRO 24 Ca 0.00 1.78 -0.36 0.00 0.04 0.00 0.00 61.00 62.46 1ulp s PRO 24 Cb 0.00 -3.54 -0.18 0.00 0.04 0.00 0.00 34.50 30.82 1ulp s PRO 24 CO 0.00 -0.47 0.99 1.47 0.04 0.00 0.00 177.00 179.03 1ulp n LEU 25 N 5.14 0.14 -4.58 -3.56 -0.00 -1.26 -4.87 117.00 108.01 1ulp n LEU 25 Ca 0.11 1.15 -0.41 0.00 -0.00 0.00 0.00 56.01 56.86 1ulp n LEU 25 Cb 0.45 -1.00 -0.07 0.00 -0.00 0.00 0.00 43.42 42.80 1ulp n LEU 25 CO 0.56 -1.96 0.36 -0.62 -0.00 0.00 0.00 177.39 175.73 1ulp s ASP 26 N -0.18 6.44 -0.00 1.45 2.15 -1.10 -4.86 116.67 120.57 1ulp s ASP 26 Ca 0.81 0.27 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1ulp s ASP 26 Cb -1.09 -2.32 -0.00 0.00 -0.30 0.00 0.00 42.92 39.21 1ulp s ASP 26 CO 0.55 -0.51 0.00 0.35 -0.17 0.00 0.00 175.17 175.39 1ulp n THR 27 N 5.46 0.01 -1.34 1.71 -2.24 -1.26 -1.23 114.28 115.38 1ulp n THR 27 Ca -0.02 -0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1ulp n THR 27 Cb 0.49 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.94 -0.36 0.00 3.42 7.64 -1.26 -2.42 113.62 118.69 1ulp n SER 28 Ca -0.00 -1.60 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1ulp n SER 28 Cb 0.44 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 6.70 0.00 0.00 0.44 5.66 -1.26 -4.97 114.28 120.84 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 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 0.46 3.54 1.09 0.00 -1.02 -4.91 105.19 104.36 1ulp n GLY 30 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.63 0.10 -0.64 4.61 0.00 -0.71 -3.79 121.76 120.69 1ulp s ALA 31 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1ulp s ALA 31 Cb 0.00 1.10 0.17 0.00 0.00 0.00 0.00 23.12 24.38 1ulp s ALA 31 CO 0.00 -0.82 0.55 -1.17 0.00 0.00 0.00 175.76 174.31 1ulp s LEU 32 N -3.09 6.10 -0.34 0.00 2.96 -0.64 -4.14 118.68 119.54 1ulp s LEU 32 Ca 0.25 -2.34 -0.13 0.00 -0.22 0.00 0.00 54.13 51.70 1ulp s LEU 32 Cb -0.00 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1ulp s LEU 32 CO 0.12 -0.63 0.24 0.00 -1.32 0.00 0.00 176.35 174.76 1ulp s VAL 34 N 1.72 5.17 -0.82 0.00 -7.23 -0.52 -2.72 120.40 116.01 1ulp s VAL 34 Ca 0.06 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.66 1ulp s VAL 34 Cb -0.17 -3.79 0.21 0.00 0.56 0.00 0.00 36.38 33.19 1ulp s VAL 34 CO 0.10 -0.34 0.74 0.00 -0.31 0.00 0.00 175.10 175.30 1ulp s ALA 35 N -2.05 4.05 -0.18 1.32 0.00 -1.26 -3.00 121.76 120.65 1ulp s ALA 35 Ca 0.39 -3.37 -0.29 0.00 0.00 0.00 0.00 51.96 48.69 1ulp s ALA 35 Cb -0.10 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1ulp s ALA 35 CO 0.31 -2.25 1.30 0.08 0.00 0.00 0.00 175.76 175.21 1ulp s VAL 36 N -0.01 4.21 0.43 0.00 1.01 -0.40 -4.17 120.40 121.46 1ulp s VAL 36 Ca 0.19 1.45 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 1ulp s VAL 36 Cb -0.12 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1ulp s VAL 36 CO -0.08 -0.18 1.19 -2.16 0.00 0.00 0.00 175.10 173.87 1ulp s PRO 37 N 3.65 3.90 0.45 2.72 0.04 -1.26 -2.01 135.00 142.50 1ulp s PRO 37 Ca 0.56 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 63.28 1ulp s PRO 37 Cb -0.22 -2.57 -0.14 0.00 0.04 0.00 0.00 34.50 31.61 1ulp s PRO 37 CO 0.17 -0.46 0.16 0.00 0.04 0.00 0.00 177.00 176.91 1ulp n ALA 38 N -0.16 -2.55 -3.62 8.56 0.00 -1.26 -2.58 120.51 118.90 1ulp n ALA 38 Ca 0.05 0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1ulp n ALA 38 Cb 0.47 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 2.23 -1.23 1.42 0.00 0.00 -0.76 -4.77 105.19 102.07 1ulp n GLY 39 Ca 0.10 0.62 -0.08 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.31 3.25 -1.30 1.61 7.64 -1.06 -4.14 113.62 117.31 1ulp n SER 40 Ca -0.24 -2.56 0.04 0.00 1.01 0.00 0.00 58.87 57.12 1ulp n SER 40 Cb 0.65 -0.62 0.23 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.07 3.30 -1.22 -0.43 0.00 -1.26 -0.16 120.51 120.67 1ulp n ALA 41 Ca 0.21 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1ulp n ALA 41 Cb 0.90 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 0.36 2.13 -0.42 0.00 0.00 -1.26 -4.65 117.38 113.54 1ulp n GLN 42 Ca 0.16 0.00 0.38 0.00 0.00 0.00 0.00 57.00 57.54 1ulp n GLN 42 Cb 0.80 0.00 0.58 0.00 0.00 0.00 0.00 30.24 31.62 1ulp n GLN 42 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1ulp n TYR 43 N 0.00 0.00 0.00 2.61 0.18 -1.26 -4.74 117.16 113.95 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 -0.35 0.00 0.00 -0.38 0.00 0.00 39.34 38.61 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 -1.77 1.65 3.89 -7.48 0.00 -1.26 -5.05 105.19 95.17 1ulp n GLY 44 Ca 0.31 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 4.93 0.00 1.61 1.01 -1.00 -4.78 120.40 122.17 1ulp s VAL 45 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1ulp s VAL 45 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1ulp s VAL 45 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.37 1ulp n GLY 46 N -0.90 0.59 3.17 4.51 0.00 -0.83 0.17 105.19 111.90 1ulp n GLY 46 Ca -0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 1.28 0.03 1.61 1.01 -0.49 -1.39 120.40 120.45 1ulp s VAL 47 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1ulp s VAL 47 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1ulp s VAL 47 CO 0.00 0.14 -0.08 0.68 0.00 0.00 0.00 175.10 175.85 1ulp s VAL 48 N -0.71 0.56 -0.19 2.92 -7.23 -0.37 -0.82 120.40 114.56 1ulp s VAL 48 Ca 0.04 -0.90 -0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1ulp s VAL 48 Cb -0.08 -0.59 0.06 0.00 0.56 0.00 0.00 36.38 36.34 1ulp s VAL 48 CO 0.01 -0.25 0.05 -0.22 -0.31 0.00 0.00 175.10 174.37 1ulp s LEU 49 N -1.26 1.00 -0.21 1.32 2.96 -1.16 -1.43 118.68 119.90 1ulp s LEU 49 Ca -0.07 -0.79 -0.25 0.00 -0.22 0.00 0.00 54.13 52.81 1ulp s LEU 49 Cb -0.08 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.08 1ulp s LEU 49 CO 0.00 -0.32 0.85 0.54 -1.32 0.00 0.00 176.35 176.10 1ulp s ASN 50 N 1.92 6.91 0.00 3.68 4.22 -1.26 -2.87 114.94 127.54 1ulp s ASN 50 Ca -0.00 1.13 0.00 0.00 -2.14 0.00 0.00 52.86 51.84 1ulp s ASN 50 Cb -0.17 -2.45 0.00 0.00 1.28 0.00 0.00 41.25 39.91 1ulp s ASN 50 CO -0.09 -0.47 0.00 0.61 -2.04 0.00 0.00 177.10 175.11 1ulp n GLY 51 N 3.58 0.13 3.16 0.45 0.00 -1.20 -4.86 105.19 106.46 1ulp n GLY 51 Ca 0.05 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 1.05 -0.51 1.61 1.01 -0.90 -4.11 120.40 118.54 1ulp s VAL 52 Ca 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 60.68 1ulp s VAL 52 Cb 0.00 -1.05 0.13 0.00 0.00 0.00 0.00 36.38 35.46 1ulp s VAL 52 CO 0.00 -0.27 0.27 0.00 0.00 0.00 0.00 175.10 175.10 1ulp s ALA 53 N -1.38 3.31 0.23 5.51 0.00 -1.25 -4.21 121.76 123.97 1ulp s ALA 53 Ca -0.02 -3.09 0.01 0.00 0.00 0.00 0.00 51.96 48.85 1ulp s ALA 53 Cb -0.09 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1ulp s ALA 53 CO 0.02 -1.97 0.10 0.42 0.00 0.00 0.00 175.76 174.32 1ulp s ILE 54 N 0.08 0.38 0.00 0.00 -1.09 -1.04 -4.85 121.20 114.68 1ulp s ILE 54 Ca 0.15 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 56.58 1ulp s ILE 54 Cb -0.23 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 1ulp s ILE 54 CO -0.03 -0.06 0.00 -1.84 -1.23 0.00 0.00 174.94 171.78 1ulp n GLU 55 N -0.37 0.00 -1.12 2.79 0.28 -1.23 -2.16 120.64 118.83 1ulp n GLU 55 Ca -0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.15 1ulp n GLU 55 Cb 0.66 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.49 1ulp n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1ulp n GLU 56 N -0.05 -2.26 -2.57 3.44 2.13 0.70 -4.13 120.64 117.91 1ulp n GLU 56 Ca 0.00 1.49 -0.43 0.00 0.66 0.00 0.00 57.16 58.88 1ulp n GLU 56 Cb 0.00 -2.75 0.01 0.00 0.27 0.00 0.00 31.44 28.96 1ulp n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ulp n GLY 57 N -3.48 4.77 3.94 8.31 0.00 -1.22 -2.78 105.19 114.73 1ulp n GLY 57 Ca 0.01 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 1ulp n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ulp s THR 58 N -0.41 2.02 0.37 2.61 2.01 -0.97 -4.80 115.64 116.48 1ulp s THR 58 Ca 0.37 -1.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.02 1ulp s THR 58 Cb 0.07 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 1ulp s THR 58 CO 0.03 0.00 0.67 -0.89 -0.69 0.00 0.00 174.62 173.74 1ulp s THR 59 N -2.67 4.94 -0.26 -0.82 2.01 -1.26 0.19 115.64 117.76 1ulp s THR 59 Ca 0.46 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.59 1ulp s THR 59 Cb -0.04 -3.77 0.12 0.00 0.01 0.00 0.00 72.50 68.82 1ulp s THR 59 CO 0.28 -0.52 0.54 -0.31 -0.69 0.00 0.00 174.62 173.92 1ulp s TYR 60 N -2.34 -1.14 -0.41 4.92 2.02 0.10 -4.02 117.35 116.50 1ulp s TYR 60 Ca 0.46 1.85 -0.22 0.00 -0.37 0.00 0.00 57.07 58.80 1ulp s TYR 60 Cb -0.10 0.54 0.02 0.00 -0.40 0.00 0.00 41.96 42.01 1ulp s TYR 60 CO 0.34 -0.63 0.70 0.99 -1.57 0.00 0.00 175.55 175.38 1ulp s THR 61 N 2.76 4.78 0.06 -0.71 2.01 -1.24 -2.43 115.64 120.87 1ulp s THR 61 Ca 0.00 0.45 -0.18 0.00 0.31 0.00 0.00 61.69 62.27 1ulp s THR 61 Cb -0.13 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.12 1ulp s THR 61 CO -0.17 -0.52 0.53 -0.22 -0.69 0.00 0.00 174.62 173.55 1ulp s LEU 62 N 2.96 4.52 -0.23 4.42 2.96 -0.94 -3.64 118.68 128.72 1ulp s LEU 62 Ca 0.26 1.19 -0.03 0.00 -0.22 0.00 0.00 54.13 55.34 1ulp s LEU 62 Cb -0.13 -2.82 0.08 0.00 0.50 0.00 0.00 46.19 43.81 1ulp s LEU 62 CO 0.19 0.29 0.08 -0.13 -1.32 0.00 0.00 176.35 175.46 1ulp s ARG 63 N -1.10 0.39 0.02 1.98 0.52 -1.13 -2.92 118.95 116.71 1ulp s ARG 63 Ca 0.28 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1ulp s ARG 63 Cb -0.19 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.49 1ulp s ARG 63 CO 0.18 -0.81 -0.02 1.52 0.02 0.00 0.00 175.30 176.19 1ulp s TYR 64 N 1.95 0.29 -0.49 -0.53 -0.85 -1.01 -2.77 117.35 113.95 1ulp s TYR 64 Ca 0.04 -0.61 0.04 0.00 -0.52 0.00 0.00 57.07 56.02 1ulp s TYR 64 Cb -0.17 -0.22 0.13 0.00 0.38 0.00 0.00 41.96 42.08 1ulp s TYR 64 CO -0.19 -0.23 0.23 0.99 -1.52 0.00 0.00 175.55 174.83 1ulp s THR 65 N -1.87 2.58 0.17 -3.49 2.01 -1.15 -0.83 115.64 113.07 1ulp s THR 65 Ca -0.12 -3.11 -0.15 0.00 0.31 0.00 0.00 61.69 58.62 1ulp s THR 65 Cb -0.07 -2.81 -0.07 0.00 0.01 0.00 0.00 72.50 69.56 1ulp s THR 65 CO -0.02 -0.76 0.58 0.00 -0.69 0.00 0.00 174.62 173.73 1ulp s ALA 66 N -0.05 3.54 -0.27 7.40 0.00 -0.72 -3.54 121.76 128.13 1ulp s ALA 66 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 1ulp s ALA 66 Cb -0.24 -2.57 0.14 0.00 0.00 0.00 0.00 23.12 20.45 1ulp s ALA 66 CO -0.02 0.43 0.37 0.99 0.00 0.00 0.00 175.76 177.54 1ulp s THR 67 N -1.52 -0.57 -0.13 0.00 2.01 -0.08 -2.39 115.64 112.95 1ulp s THR 67 Ca 0.40 -0.22 -0.14 0.00 0.31 0.00 0.00 61.69 62.05 1ulp s THR 67 Cb -0.15 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 1ulp s THR 67 CO 0.19 -0.24 0.30 0.00 -0.69 0.00 0.00 174.62 174.19 1ulp s ALA 68 N 2.51 3.63 0.59 7.40 0.00 -0.82 -2.24 121.76 132.82 1ulp s ALA 68 Ca 0.11 -0.43 0.33 0.00 0.00 0.00 0.00 51.96 51.97 1ulp s ALA 68 Cb -0.14 -2.36 1.27 0.00 0.00 0.00 0.00 23.12 21.88 1ulp s ALA 68 CO -0.23 0.19 1.53 0.77 0.00 0.00 0.00 175.76 178.02 1ulp h SER 69 N 6.25 0.00 -1.73 0.00 0.02 -1.70 -2.48 113.55 113.91 1ulp h SER 69 Ca -0.44 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.96 1ulp h SER 69 Cb 1.18 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.64 1ulp h SER 69 CO 0.72 0.00 -0.52 0.28 -1.14 0.00 0.00 176.83 176.18 1ulp s THR 70 N -4.61 2.63 -1.39 -2.27 -1.32 -1.26 -3.64 115.64 103.78 1ulp s THR 70 Ca -0.04 -1.70 -0.12 0.00 -1.21 0.00 0.00 61.69 58.63 1ulp s THR 70 Cb 0.18 -2.97 0.09 0.00 -1.51 0.00 0.00 72.50 68.29 1ulp s THR 70 CO 0.61 -0.09 2.11 -0.67 -2.21 0.00 0.00 174.62 174.37 1ulp n ASP 71 N -1.20 4.69 -4.83 8.08 -0.08 -1.26 -2.58 116.55 119.37 1ulp n ASP 71 Ca -0.02 -2.95 -0.38 0.00 -1.51 0.00 0.00 54.79 49.93 1ulp n ASP 71 Cb 0.63 -1.57 -0.06 0.00 2.34 0.00 0.00 41.12 42.46 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 1.83 4.93 -0.44 5.18 0.11 -1.22 -4.77 120.40 126.02 1ulp s VAL 72 Ca 0.45 0.96 0.02 0.00 -2.93 0.00 0.00 61.98 60.48 1ulp s VAL 72 Cb 0.12 -3.77 0.13 0.00 -1.53 0.00 0.00 36.38 31.33 1ulp s VAL 72 CO -0.05 0.57 0.21 -0.89 -3.33 0.00 0.00 175.10 171.61 1ulp s THR 73 N -1.10 1.74 0.00 5.04 2.01 -1.26 -0.35 115.64 121.73 1ulp s THR 73 Ca 0.26 -2.62 0.00 0.00 0.31 0.00 0.00 61.69 59.64 1ulp s THR 73 Cb -0.18 -2.23 0.00 0.00 0.01 0.00 0.00 72.50 70.10 1ulp s THR 73 CO 0.15 -0.82 0.00 1.33 -0.69 0.00 0.00 174.62 174.59 1ulp n VAL 74 N 3.63 0.00 -4.03 3.82 0.24 -1.26 -4.88 118.33 115.85 1ulp n VAL 74 Ca 0.06 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.04 1ulp n VAL 74 Cb 0.35 -1.41 -0.15 0.00 -1.47 0.00 0.00 33.84 31.16 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 1.50 2.02 0.34 7.34 1.81 -1.18 -3.53 118.95 127.25 1ulp s ARG 75 Ca 0.00 -1.52 0.08 0.00 -1.72 0.00 0.00 55.73 52.58 1ulp s ARG 75 Cb 0.00 -3.04 -0.05 0.00 -0.45 0.00 0.00 34.95 31.41 1ulp s ARG 75 CO 0.00 -0.71 0.10 0.00 -0.68 0.00 0.00 175.30 174.02 1ulp s ALA 76 N 1.06 3.41 0.00 2.13 0.00 -0.57 -1.43 121.76 126.35 1ulp s ALA 76 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1ulp s ALA 76 Cb -0.20 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ulp s ALA 76 CO -0.05 0.04 0.00 1.47 0.00 0.00 0.00 175.76 177.21 1ulp n LEU 77 N -1.09 0.00 -3.77 0.00 -0.00 -0.94 -3.05 117.00 108.14 1ulp n LEU 77 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.87 1ulp n LEU 77 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.96 1ulp n LEU 77 CO 0.43 0.00 -0.00 -0.69 -0.00 0.00 0.00 177.39 177.13 1ulp s VAL 78 N -3.03 0.09 0.07 1.47 1.01 -1.25 -2.53 120.40 116.23 1ulp s VAL 78 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1ulp s VAL 78 Cb 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.47 1ulp s VAL 78 CO 0.00 -0.42 0.95 0.61 0.00 0.00 0.00 175.10 176.24 1ulp n GLY 79 N 0.50 0.52 3.71 4.51 0.00 -1.18 -1.82 105.19 111.42 1ulp n GLY 79 Ca -0.18 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 1ulp n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ulp s GLN 80 N -2.03 4.27 -1.15 1.61 -0.44 -0.31 -2.44 119.66 119.18 1ulp s GLN 80 Ca 0.22 0.31 -0.08 0.00 -2.50 0.00 0.00 55.36 53.30 1ulp s GLN 80 Cb -0.02 -3.47 0.25 0.00 -1.64 0.00 0.00 33.01 28.14 1ulp s GLN 80 CO 0.02 0.10 1.40 0.09 0.50 0.00 0.00 175.29 177.40 1ulp n ASN 81 N 3.95 5.70 0.00 6.67 5.03 -0.34 -3.71 115.26 132.56 1ulp n ASN 81 Ca -0.08 -3.16 0.00 0.00 0.87 0.00 0.00 54.58 52.21 1ulp n ASN 81 Cb 0.51 -1.39 0.00 0.00 -1.02 0.00 0.00 39.78 37.88 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 2.52 -1.38 0.00 7.41 0.00 -1.26 -3.14 105.19 109.33 1ulp n GLY 82 Ca 0.29 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 -3.00 0.00 0.18 4.61 0.00 -1.26 -4.39 120.51 116.64 1ulp n ALA 83 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 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 -0.13 1.27 -1.09 0.00 -0.04 -1.26 -5.04 135.00 128.70 1ulp n PRO 84 Ca 0.00 -0.59 0.14 0.00 -0.04 0.00 0.00 63.50 63.00 1ulp n PRO 84 Cb 0.00 -1.23 -0.06 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 0.46 -2.89 -3.81 0.54 4.01 -1.26 -5.06 117.16 109.15 1ulp n TYR 85 Ca 0.12 1.55 -0.05 0.00 -0.16 0.00 0.00 57.90 59.35 1ulp n TYR 85 Cb 0.66 -2.63 -0.01 0.00 -0.31 0.00 0.00 39.34 37.06 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 -6.61 -0.11 -0.09 2.72 0.00 -1.24 -4.78 107.32 97.21 1ulp s GLY 86 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 1ulp s GLY 86 CO 0.00 0.07 0.21 -0.51 0.00 0.00 0.00 173.10 172.86 1ulp s THR 87 N -3.42 -0.03 -0.01 0.90 -4.23 -1.26 -1.16 115.64 106.43 1ulp s THR 87 Ca 0.12 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1ulp s THR 87 Cb -0.04 -0.32 -0.00 0.00 1.34 0.00 0.00 72.50 73.48 1ulp s THR 87 CO 0.05 0.04 0.01 1.33 -0.54 0.00 0.00 174.62 175.51 1ulp n VAL 88 N 3.77 0.00 -4.80 2.29 0.24 -0.75 -4.74 118.33 114.33 1ulp n VAL 88 Ca -0.21 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.34 61.35 1ulp n VAL 88 Cb 0.55 0.98 -0.15 0.00 -1.47 0.00 0.00 33.84 33.75 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 -2.06 2.13 -0.44 1.34 1.02 -1.24 -4.80 118.68 114.65 1ulp s LEU 89 Ca 0.00 -0.50 0.05 0.00 0.02 0.00 0.00 54.13 53.70 1ulp s LEU 89 Cb 0.00 -1.06 0.17 0.00 0.02 0.00 0.00 46.19 45.32 1ulp s LEU 89 CO 0.01 0.21 0.50 -1.81 0.02 0.00 0.00 176.35 175.28 1ulp s ASP 90 N -1.01 0.14 0.27 2.29 1.01 -1.26 -3.94 116.67 114.17 1ulp s ASP 90 Ca 0.08 -2.02 -0.10 0.00 0.71 0.00 0.00 52.55 51.22 1ulp s ASP 90 Cb -0.09 0.83 0.04 0.00 1.01 0.00 0.00 42.92 44.71 1ulp s ASP 90 CO 0.01 -0.15 0.54 0.35 0.21 0.00 0.00 175.17 176.12 1ulp n THR 91 N 3.39 0.00 -5.23 -1.27 -2.24 -1.17 -5.08 114.28 102.68 1ulp n THR 91 Ca 0.19 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 1ulp n THR 91 Cb 0.51 0.67 -0.17 0.00 -2.10 0.00 0.00 70.33 69.24 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 -2.40 3.10 -1.16 3.42 1.04 -1.26 -1.51 113.70 114.92 1ulp s SER 92 Ca 0.11 -0.55 -0.21 0.00 0.48 0.00 0.00 55.95 55.78 1ulp s SER 92 Cb -0.03 -1.28 -0.05 0.00 0.10 0.00 0.00 66.02 64.75 1ulp s SER 92 CO 0.08 0.18 1.90 -0.81 0.98 0.00 0.00 173.24 175.57 1ulp n PRO 93 N 3.39 2.07 -1.58 4.02 -0.04 -1.23 -4.87 135.00 136.75 1ulp n PRO 93 Ca -0.19 -2.57 -0.48 0.00 -0.04 0.00 0.00 63.50 60.22 1ulp n PRO 93 Cb 0.53 -3.50 -0.04 0.00 -0.04 0.00 0.00 33.50 30.45 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 11.16 -0.70 -2.48 0.55 0.00 -1.26 -4.30 120.51 123.48 1ulp n ALA 94 Ca 0.47 0.45 -0.24 0.00 0.00 0.00 0.00 53.44 54.12 1ulp n ALA 94 Cb 0.45 -2.02 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 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 0.66 1.96 0.00 0.00 1.43 0.53 -4.93 118.68 118.33 1ulp s LEU 95 Ca 0.71 -1.63 -0.26 0.00 -1.03 0.00 0.00 54.13 51.92 1ulp s LEU 95 Cb -0.83 -0.07 0.08 0.00 0.03 0.00 0.00 46.19 45.40 1ulp s LEU 95 CO 0.53 -0.90 1.16 1.07 0.23 0.00 0.00 176.35 178.44 1ulp n THR 96 N -0.84 0.00 0.25 5.49 5.66 -1.06 -3.45 114.28 120.33 1ulp n THR 96 Ca -0.04 -0.09 0.14 0.00 -3.05 0.00 0.00 64.05 61.00 1ulp n THR 96 Cb 0.65 0.49 0.61 0.00 -1.55 0.00 0.00 70.33 70.53 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 1.76 0.00 -3.02 1.09 4.64 -1.51 -2.20 113.55 114.31 1ulp h SER 97 Ca -0.18 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.69 1ulp h SER 97 Cb 1.04 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.19 1ulp h SER 97 CO 0.27 0.12 0.07 -1.61 -0.87 0.00 0.00 176.83 174.81 1ulp s GLU 98 N -3.75 2.41 0.09 4.77 2.02 -1.26 -4.87 118.70 118.10 1ulp s GLU 98 Ca 0.00 -0.56 -0.31 0.00 0.02 0.00 0.00 54.97 54.12 1ulp s GLU 98 Cb 0.10 -2.36 -0.07 0.00 0.10 0.00 0.00 34.13 31.91 1ulp s GLU 98 CO 0.59 -0.92 1.25 -1.25 0.02 0.00 0.00 175.26 174.95 1ulp s PRO 99 N -4.96 4.40 -0.48 0.39 0.04 -1.26 -4.68 135.00 128.45 1ulp s PRO 99 Ca 0.58 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.53 1ulp s PRO 99 Cb -0.10 -3.31 0.12 0.00 0.04 0.00 0.00 34.50 31.25 1ulp s PRO 99 CO 0.41 -0.30 0.22 0.50 0.04 0.00 0.00 177.00 177.88 1ulp s ARG 100 N 0.96 1.89 -0.70 4.56 3.52 -1.01 -5.04 118.95 123.14 1ulp s ARG 100 Ca 0.60 -2.46 -0.24 0.00 -0.13 0.00 0.00 55.73 53.50 1ulp s ARG 100 Cb -0.32 -3.31 0.06 0.00 -1.56 0.00 0.00 34.95 29.82 1ulp s ARG 100 CO 0.30 -1.08 1.07 -1.14 -0.81 0.00 0.00 175.30 173.64 1ulp s GLN 101 N -0.03 3.16 -0.03 5.12 0.74 -1.26 -1.75 119.66 125.61 1ulp s GLN 101 Ca 0.16 -0.72 -0.20 0.00 0.05 0.00 0.00 55.36 54.65 1ulp s GLN 101 Cb -0.24 -4.28 -0.05 0.00 1.10 0.00 0.00 33.01 29.54 1ulp s GLN 101 CO -0.02 -1.92 0.57 0.08 -0.55 0.00 0.00 175.29 173.45 1ulp s VAL 102 N 4.48 4.99 -0.11 1.34 1.01 -0.01 -4.96 120.40 127.14 1ulp s VAL 102 Ca 0.27 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.34 1ulp s VAL 102 Cb -0.14 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ulp s VAL 102 CO 0.10 0.39 0.27 -0.89 0.00 0.00 0.00 175.10 174.98 1ulp s THR 103 N 0.02 -0.02 0.29 3.92 2.01 -1.26 -2.40 115.64 118.19 1ulp s THR 103 Ca 0.30 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 1ulp s THR 103 Cb -0.17 -0.40 0.04 0.00 0.01 0.00 0.00 72.50 71.98 1ulp s THR 103 CO 0.15 0.02 0.59 -0.62 -0.69 0.00 0.00 174.62 174.08 1ulp n GLU 104 N 3.49 0.84 -3.63 4.92 1.02 -1.15 -5.01 120.64 121.13 1ulp n GLU 104 Ca -0.18 -1.64 -0.29 0.00 -0.02 0.00 0.00 57.16 55.03 1ulp n GLU 104 Cb 0.56 2.05 -0.13 0.00 -0.02 0.00 0.00 31.44 33.90 1ulp n GLU 104 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1ulp s THR 105 N -2.33 0.88 0.30 2.62 -4.23 -1.26 -2.21 115.64 109.40 1ulp s THR 105 Ca 0.12 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1ulp s THR 105 Cb -0.04 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.13 1ulp s THR 105 CO 0.09 -0.89 0.56 0.72 -0.54 0.00 0.00 174.62 174.55 1ulp s PHE 106 N 0.81 3.48 -0.85 3.99 -0.71 -1.02 -4.76 117.98 118.92 1ulp s PHE 106 Ca 0.16 0.61 -0.20 0.00 -1.04 0.00 0.00 56.93 56.46 1ulp s PHE 106 Cb -0.23 -2.08 0.12 0.00 -1.21 0.00 0.00 43.02 39.62 1ulp s PHE 106 CO -0.04 0.15 1.06 0.99 -1.34 0.00 0.00 175.22 176.05 1ulp s THR 107 N -2.13 4.65 -0.90 -4.49 2.01 -1.26 -0.72 115.64 112.80 1ulp s THR 107 Ca 0.43 -1.28 -0.18 0.00 0.31 0.00 0.00 61.69 60.98 1ulp s THR 107 Cb -0.11 -4.74 -0.25 0.00 0.01 0.00 0.00 72.50 67.42 1ulp s THR 107 CO 0.31 -1.47 2.31 0.00 -0.69 0.00 0.00 174.62 175.08 1ulp n ALA 108 N 6.78 0.78 -1.58 7.40 0.00 0.50 -4.63 120.51 129.76 1ulp n ALA 108 Ca 0.16 -0.95 -0.34 0.00 0.00 0.00 0.00 53.44 52.31 1ulp n ALA 108 Cb 0.48 -2.71 -0.04 0.00 0.00 0.00 0.00 19.45 17.18 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 10.78 7.71 0.00 0.00 3.41 -1.26 -2.28 113.62 131.97 1ulp n SER 109 Ca 0.59 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1ulp n SER 109 Cb 0.24 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 2.28 0.00 -3.46 7.33 0.00 -1.12 -4.78 120.51 120.77 1ulp n ALA 110 Ca 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.94 1ulp n ALA 110 Cb 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.05 -0.46 -0.69 0.00 2.01 -1.26 -0.21 115.64 112.98 1ulp s THR 111 Ca 0.00 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 1ulp s THR 111 Cb 0.00 -0.70 0.18 0.00 0.01 0.00 0.00 72.50 71.99 1ulp s THR 111 CO 0.00 -0.12 0.59 -0.31 -0.69 0.00 0.00 174.62 174.08 1ulp s TYR 112 N 2.43 3.57 0.76 4.92 1.51 -0.92 -4.64 117.35 124.99 1ulp s TYR 112 Ca 0.08 -2.15 -0.11 0.00 -1.01 0.00 0.00 57.07 53.88 1ulp s TYR 112 Cb -0.15 -3.58 0.05 0.00 -0.11 0.00 0.00 41.96 38.17 1ulp s TYR 112 CO -0.13 -0.95 1.08 -1.25 -1.11 0.00 0.00 175.55 173.20 1ulp s PRO 113 N 0.36 2.34 -0.77 -1.71 0.04 -1.26 -2.50 135.00 131.50 1ulp s PRO 113 Ca 0.15 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1ulp s PRO 113 Cb -0.17 -1.92 0.28 0.00 0.04 0.00 0.00 34.50 32.73 1ulp s PRO 113 CO -0.05 -1.54 1.01 0.00 0.04 0.00 0.00 177.00 176.46 1ulp n ALA 114 N -3.44 4.53 -3.49 8.56 0.00 -1.26 -1.19 120.51 124.22 1ulp n ALA 114 Ca 0.08 -4.77 -0.12 0.00 0.00 0.00 0.00 53.44 48.63 1ulp n ALA 114 Cb 0.54 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.87 -0.51 -1.22 0.00 -4.23 -1.20 -5.03 115.64 100.58 1ulp s THR 115 Ca 0.39 0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.73 1ulp s THR 115 Cb 0.14 -0.68 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 1ulp s THR 115 CO 0.00 -0.06 1.91 -0.81 -0.54 0.00 0.00 174.62 175.12 1ulp n PRO 116 N 5.36 2.45 -3.82 3.99 -0.04 -1.26 -3.61 135.00 138.07 1ulp n PRO 116 Ca -0.05 -2.72 -0.10 0.00 -0.04 0.00 0.00 63.50 60.59 1ulp n PRO 116 Cb 0.50 -3.44 -0.07 0.00 -0.04 0.00 0.00 33.50 30.45 1ulp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp s ALA 117 N 5.98 -0.37 0.01 0.55 0.00 -0.56 -5.02 121.76 122.36 1ulp s ALA 117 Ca 0.57 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 1ulp s ALA 117 Cb 0.06 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1ulp s ALA 117 CO 0.07 -0.47 0.99 0.00 0.00 0.00 0.00 175.76 176.35 1ulp h ALA 118 N 2.95 -0.96 -0.78 0.00 0.00 -1.97 -2.33 119.26 116.18 1ulp h ALA 118 Ca -0.33 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.62 1ulp h ALA 118 Cb 1.20 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1ulp h ALA 118 CO 0.52 -0.94 0.51 0.22 0.00 0.00 0.00 179.25 179.57 1ulp h ASP 119 N -0.28 0.63 -4.07 0.00 3.58 -1.98 -3.27 116.42 111.04 1ulp h ASP 119 Ca -0.03 0.02 -0.66 0.00 0.42 0.00 0.00 57.03 56.78 1ulp h ASP 119 Cb 0.19 -0.12 -0.39 0.00 1.72 0.00 0.00 39.33 40.74 1ulp h ASP 119 CO 0.04 0.38 -0.50 -1.81 -2.88 0.00 0.00 179.24 174.46 1ulp s ASP 120 N -6.04 4.77 0.00 2.28 1.11 -1.17 -5.06 116.67 112.55 1ulp s ASP 120 Ca -0.10 -3.15 0.00 0.00 0.18 0.00 0.00 52.55 49.48 1ulp s ASP 120 Cb 0.20 -1.72 0.00 0.00 1.07 0.00 0.00 42.92 42.47 1ulp s ASP 120 CO 0.78 -0.24 0.00 -0.81 1.18 0.00 0.00 175.17 176.07 1ulp n PRO 121 N 2.99 1.14 -3.63 8.23 -0.04 -0.88 -1.49 135.00 141.31 1ulp n PRO 121 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 1ulp n PRO 121 Cb 0.34 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.74 1ulp n PRO 121 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1ulp s GLU 122 N 0.00 0.92 0.24 0.54 -1.05 -1.19 -3.24 118.70 114.91 1ulp s GLU 122 Ca 0.00 -0.11 -0.12 0.00 -0.15 0.00 0.00 54.97 54.59 1ulp s GLU 122 Cb 0.00 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 34.03 1ulp s GLU 122 CO 0.00 -0.30 0.59 0.20 0.95 0.00 0.00 175.26 176.71 1ulp s GLY 123 N -1.59 2.33 0.00 -3.83 0.00 -0.33 -1.19 107.32 102.71 1ulp s GLY 123 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1ulp s GLY 123 CO 0.03 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.76 1ulp n GLN 124 N -0.01 0.00 -4.84 2.90 10.64 -1.02 -2.13 117.38 122.93 1ulp n GLN 124 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 1ulp n GLN 124 Cb 0.52 0.00 -0.14 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 -2.22 2.38 -0.10 -0.39 1.01 -1.14 -3.12 121.20 117.61 1ulp s ILE 125 Ca 0.00 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 59.39 1ulp s ILE 125 Cb 0.00 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1ulp s ILE 125 CO 0.00 0.37 -0.22 0.00 0.00 0.00 0.00 174.94 175.09 1ulp s ALA 126 N -0.84 2.05 -0.31 9.38 0.00 -1.05 -2.98 121.76 128.02 1ulp s ALA 126 Ca 0.13 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1ulp s ALA 126 Cb -0.10 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.29 1ulp s ALA 126 CO 0.03 0.21 -0.00 -0.06 0.00 0.00 0.00 175.76 175.94 1ulp s PHE 127 N 0.47 3.50 -1.07 0.00 0.08 -0.00 -2.22 117.98 118.74 1ulp s PHE 127 Ca -0.16 -2.56 -0.17 0.00 0.12 0.00 0.00 56.93 54.16 1ulp s PHE 127 Cb -0.17 -2.48 0.14 0.00 -0.57 0.00 0.00 43.02 39.94 1ulp s PHE 127 CO 0.06 -0.91 1.29 -0.65 -0.10 0.00 0.00 175.22 174.92 1ulp s GLN 128 N 1.04 3.83 -0.42 0.44 -0.21 -0.51 -1.40 119.66 122.42 1ulp s GLN 128 Ca 0.01 -2.11 -0.02 0.00 0.02 0.00 0.00 55.36 53.25 1ulp s GLN 128 Cb -0.20 -5.01 0.16 0.00 1.00 0.00 0.00 33.01 28.96 1ulp s GLN 128 CO -0.06 -1.80 2.39 1.28 -2.12 0.00 0.00 175.29 174.99 1ulp n LEU 129 N 6.27 6.59 -4.35 2.90 4.77 0.44 -3.12 117.00 130.50 1ulp n LEU 129 Ca 0.31 -3.79 -0.46 0.00 -0.03 0.00 0.00 56.01 52.03 1ulp n LEU 129 Cb 0.46 -1.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.39 1ulp n LEU 129 CO 0.57 1.50 0.54 -0.83 -1.33 0.00 0.00 177.39 177.84 1ulp s GLY 130 N 0.08 2.59 0.00 -0.72 0.00 -0.46 -2.37 107.32 106.43 1ulp s GLY 130 Ca 0.48 -3.27 0.00 0.00 0.00 0.00 0.00 44.72 41.92 1ulp s GLY 130 CO -0.12 1.38 0.00 0.61 0.00 0.00 0.00 173.10 174.97 1ulp n GLY 131 N 4.13 -2.64 1.27 0.20 0.00 0.77 -4.68 105.19 104.24 1ulp n GLY 131 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.14 -2.23 -2.85 1.61 3.72 -1.26 -4.88 117.46 111.71 1ulp n PHE 132 Ca 0.00 0.30 -0.26 0.00 -0.05 0.00 0.00 57.45 57.45 1ulp n PHE 132 Cb 0.00 1.03 -0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp s SER 133 N -1.29 6.18 0.00 4.37 0.15 -1.26 -4.80 113.70 117.04 1ulp s SER 133 Ca 0.00 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1ulp s SER 133 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1ulp s SER 133 CO 0.00 -0.55 0.00 0.00 1.20 0.00 0.00 173.24 173.89 1ulp n ALA 134 N -2.14 0.00 -1.21 5.45 0.00 -1.26 -4.28 120.51 117.07 1ulp n ALA 134 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1ulp n ALA 134 Cb 0.56 0.00 0.04 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 -3.28 -4.66 0.00 8.00 -1.26 -1.82 116.55 113.53 1ulp n ASP 135 Ca 0.00 0.54 -0.49 0.00 0.71 0.00 0.00 54.79 55.54 1ulp n ASP 135 Cb 0.00 -0.96 -0.05 0.00 -0.02 0.00 0.00 41.12 40.09 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ulp n ALA 136 N -2.02 0.58 -3.05 2.24 0.00 -1.26 -4.59 120.51 112.41 1ulp n ALA 136 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ulp n ALA 136 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 4.29 0.00 -3.82 0.00 2.14 -0.85 -4.81 117.44 114.39 1ulp n TRP 137 Ca 0.20 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.69 1ulp n TRP 137 Cb 0.25 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.77 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 -0.27 0.00 -0.06 -1.67 2.01 -1.26 -1.27 115.64 113.11 1ulp s THR 138 Ca 0.00 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1ulp s THR 138 Cb 0.00 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.76 1ulp s THR 138 CO 0.00 0.00 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.13 1ulp s LEU 139 N -3.07 1.11 -0.31 4.42 1.02 -1.16 -3.67 118.68 117.02 1ulp s LEU 139 Ca 0.15 -0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.20 1ulp s LEU 139 Cb -0.05 -0.50 0.08 0.00 0.02 0.00 0.00 46.19 45.74 1ulp s LEU 139 CO 0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 176.35 176.36 1ulp n LEU 141 N 4.33 0.00 0.00 0.00 4.77 -1.02 -0.90 117.00 124.17 1ulp n LEU 141 Ca -0.03 -2.30 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 1ulp n LEU 141 Cb 0.42 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ulp n LEU 141 CO 0.21 -0.66 0.00 -0.90 -1.33 0.00 0.00 177.39 174.72 1ulp n ASP 142 N -2.29 0.00 -3.90 -1.43 5.75 -1.23 -1.63 116.55 111.83 1ulp n ASP 142 Ca 0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.54 1ulp n ASP 142 Cb 0.54 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.64 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ulp n ASP 143 N 0.00 -4.65 -4.51 -1.12 2.03 -1.06 -2.91 116.55 104.34 1ulp n ASP 143 Ca 0.00 -1.10 -0.41 0.00 0.52 0.00 0.00 54.79 53.79 1ulp n ASP 143 Cb 0.00 -1.91 -0.10 0.00 -0.72 0.00 0.00 41.12 38.40 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ulp s VAL 144 N -3.28 5.23 0.32 5.18 1.01 -1.23 -3.98 120.40 123.67 1ulp s VAL 144 Ca 0.27 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1ulp s VAL 144 Cb -0.14 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1ulp s VAL 144 CO 0.93 -0.16 0.08 0.00 0.00 0.00 0.00 175.10 175.95 1ulp s ALA 145 N 1.81 2.32 -0.30 5.51 0.00 -1.11 -4.12 121.76 125.87 1ulp s ALA 145 Ca 0.07 -1.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.04 1ulp s ALA 145 Cb -0.18 0.76 0.14 0.00 0.00 0.00 0.00 23.12 23.84 1ulp s ALA 145 CO 0.11 -0.35 0.74 -1.17 0.00 0.00 0.00 175.76 175.09 1ulp s LEU 146 N -3.47 -0.99 0.00 0.00 2.96 -1.26 -2.84 118.68 113.08 1ulp s LEU 146 Ca 0.35 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 1ulp s LEU 146 Cb 0.08 2.15 0.00 0.00 0.50 0.00 0.00 46.19 48.92 1ulp s LEU 146 CO 0.15 -0.19 0.00 -0.67 -1.32 0.00 0.00 176.35 174.32 1ulp n ASP 147 N 5.24 0.36 -3.35 3.68 -0.08 -1.24 -4.93 116.55 116.23 1ulp n ASP 147 Ca -0.12 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.02 1ulp n ASP 147 Cb 0.51 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.89 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1ulp s SER 148 N 1.00 1.01 1.10 1.67 1.04 -1.26 -3.61 113.70 114.64 1ulp s SER 148 Ca 0.00 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.30 1ulp s SER 148 Cb 0.00 0.74 0.14 0.00 0.10 0.00 0.00 66.02 67.00 1ulp s SER 148 CO 0.00 -0.31 0.56 1.21 0.98 0.00 0.00 173.24 175.68 1ulp n GLU 149 N 4.81 -1.75 -4.42 4.02 2.13 -1.26 -4.94 120.64 119.23 1ulp n GLU 149 Ca 0.05 -0.89 -0.21 0.00 0.66 0.00 0.00 57.16 56.77 1ulp n GLU 149 Cb 0.47 -0.78 -0.10 0.00 0.27 0.00 0.00 31.44 31.30 1ulp n GLU 149 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ulp s VAL 150 N -2.07 0.92 -0.32 6.31 0.11 -1.26 -4.55 120.40 119.54 1ulp s VAL 150 Ca 0.35 -2.00 -0.11 0.00 -2.93 0.00 0.00 61.98 57.30 1ulp s VAL 150 Cb -0.03 -2.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1ulp s VAL 150 CO 0.27 0.00 0.18 -0.70 -3.33 0.00 0.00 175.10 171.52 1ulp s GLU 151 N -3.90 3.35 0.00 1.54 -6.30 -1.26 -5.12 118.70 107.01 1ulp s GLU 151 Ca 0.35 -0.72 0.00 0.00 -2.50 0.00 0.00 54.97 52.10 1ulp s GLU 151 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 34.13 30.56 1ulp s GLU 151 CO 0.15 -0.44 0.43 1.28 0.02 0.00 0.00 175.26 176.70