#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp s SER 2 N 0.00 1.79 0.00 0.00 0.01 -1.26 -4.90 113.70 109.34 1ulp s SER 2 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1ulp s SER 2 Cb 0.00 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1ulp s SER 2 CO 0.00 0.13 0.00 -0.81 0.41 0.00 0.00 173.24 172.97 1ulp n PRO 3 N 3.10 1.68 0.00 12.44 -0.04 -1.26 -3.51 135.00 147.41 1ulp n PRO 3 Ca -0.17 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1ulp n PRO 3 Cb 0.54 0.00 0.40 0.00 -0.04 0.00 0.00 33.50 34.39 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 -2.58 0.52 -5.35 -1.23 -4.69 119.36 105.91 1ulp n ILE 4 Ca 0.00 -0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.18 1ulp n ILE 4 Cb 0.00 0.66 0.02 0.00 -1.74 0.00 0.00 39.64 38.57 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 1.26 0.51 3.82 3.28 0.00 -1.26 -3.99 105.19 108.80 1ulp n GLY 5 Ca 0.16 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1ulp n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulp n GLU 6 N -1.52 -1.11 -1.95 1.61 4.71 -1.26 -4.69 120.64 116.42 1ulp n GLU 6 Ca -0.02 0.58 -0.24 0.00 -0.01 0.00 0.00 57.16 57.47 1ulp n GLU 6 Cb 0.52 -2.74 -0.05 0.00 -1.01 0.00 0.00 31.44 28.16 1ulp n GLU 6 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1ulp s GLY 7 N -3.19 -0.03 0.00 0.62 0.00 -1.04 -4.72 107.32 98.96 1ulp s GLY 7 Ca 0.19 -1.39 0.26 0.00 0.00 0.00 0.00 44.72 43.78 1ulp s GLY 7 CO 0.91 3.64 1.88 -1.30 0.00 0.00 0.00 173.10 178.23 1ulp n THR 8 N 8.07 0.05 -2.81 0.90 -2.24 -1.26 -3.32 114.28 113.67 1ulp n THR 8 Ca 0.42 0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 62.14 1ulp n THR 8 Cb 0.46 -0.61 0.01 0.00 -2.10 0.00 0.00 70.33 68.09 1ulp n THR 8 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ulp n PHE 9 N -1.06 -3.52 -1.31 4.78 3.72 -1.26 -4.15 117.46 114.65 1ulp n PHE 9 Ca 0.18 1.44 0.00 0.00 -0.05 0.00 0.00 57.45 59.02 1ulp n PHE 9 Cb 0.11 -4.05 0.00 0.00 -0.94 0.00 0.00 39.48 34.60 1ulp n PHE 9 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ulp n ASP 10 N -0.16 0.00 0.00 4.37 2.03 -1.26 -1.17 116.55 120.36 1ulp n ASP 10 Ca 0.10 -1.20 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1ulp n ASP 10 Cb 0.39 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1ulp n ASP 10 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ulp n ASP 11 N 0.00 0.00 -3.03 1.67 9.92 -1.26 -4.19 116.55 119.66 1ulp n ASP 11 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1ulp n ASP 11 Cb 0.54 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1ulp n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1ulp s GLY 12 N 0.00 -1.30 -1.19 0.44 0.00 -1.26 -5.03 107.32 98.98 1ulp s GLY 12 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.63 1ulp s GLY 12 CO 0.00 3.72 2.02 -1.55 0.00 0.00 0.00 173.10 177.28 1ulp n PRO 13 N 3.88 2.37 0.00 2.90 -0.04 -1.26 -4.80 135.00 138.04 1ulp n PRO 13 Ca 0.13 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1ulp n PRO 13 Cb 0.57 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.76 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 7.03 0.00 -0.39 0.54 -0.58 -1.26 -1.38 120.64 124.60 1ulp n GLU 14 Ca 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 1ulp n GLU 14 Cb 0.42 0.00 0.00 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 0.59 3.69 0.62 0.00 -1.26 -5.10 105.19 103.72 1ulp n GLY 15 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.40 1ulp n GLY 15 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ulp n TRP 16 N 0.00 1.64 -4.40 1.61 7.02 -0.48 -4.80 117.44 118.03 1ulp n TRP 16 Ca 0.00 0.92 -0.27 0.00 -1.02 0.00 0.00 57.50 57.13 1ulp n TRP 16 Cb 0.55 -2.28 -0.12 0.00 -2.42 0.00 0.00 31.31 27.04 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 2.45 2.44 -0.05 -0.99 -7.23 -0.68 -4.94 120.40 111.39 1ulp s VAL 17 Ca 0.99 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1ulp s VAL 17 Cb -1.30 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 33.52 1ulp s VAL 17 CO 0.70 -0.06 0.02 0.00 -0.31 0.00 0.00 175.10 175.45 1ulp s ALA 18 N -1.53 0.45 0.19 1.32 0.00 -1.26 -0.73 121.76 120.20 1ulp s ALA 18 Ca 0.20 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.30 1ulp s ALA 18 Cb -0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1ulp s ALA 18 CO 0.10 -0.37 -0.11 1.52 0.00 0.00 0.00 175.76 176.89 1ulp s TYR 19 N 1.80 2.58 0.00 0.00 -0.85 -0.74 -4.58 117.35 115.57 1ulp s TYR 19 Ca 0.01 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1ulp s TYR 19 Cb -0.12 -1.26 0.00 0.00 0.38 0.00 0.00 41.96 40.96 1ulp s TYR 19 CO -0.04 0.52 0.00 0.41 -1.52 0.00 0.00 175.55 174.93 1ulp n GLY 20 N 0.01 1.20 0.00 5.49 0.00 -1.26 -1.72 105.19 108.91 1ulp n GLY 20 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.39 0.00 -3.15 2.61 -2.24 -1.26 -4.61 114.28 103.23 1ulp n THR 21 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 1ulp n THR 21 Cb 0.21 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1ulp n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulp s ASP 22 N 1.22 6.64 0.20 3.42 -1.08 -1.19 -4.94 116.67 120.94 1ulp s ASP 22 Ca 0.00 0.78 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 1ulp s ASP 22 Cb 0.00 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1ulp s ASP 22 CO 0.00 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1ulp n GLY 23 N 3.85 0.12 3.79 2.66 0.00 -1.26 -4.64 105.19 109.70 1ulp n GLY 23 Ca -0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 2.19 0.00 1.61 0.04 -1.26 -4.98 135.00 132.61 1ulp s PRO 24 Ca 0.00 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1ulp s PRO 24 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1ulp s PRO 24 CO 0.00 -1.60 0.00 1.47 0.04 0.00 0.00 177.00 176.91 1ulp n LEU 25 N -3.45 0.00 -3.71 -3.56 -0.00 -1.26 -4.86 117.00 100.16 1ulp n LEU 25 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.99 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 -0.22 0.13 -1.81 -0.00 0.00 0.00 177.39 176.04 1ulp s ASP 26 N -2.03 -0.16 0.00 1.45 1.11 -0.68 -4.96 116.67 111.39 1ulp s ASP 26 Ca 0.00 -0.45 0.00 0.00 0.18 0.00 0.00 52.55 52.28 1ulp s ASP 26 Cb 0.00 0.47 0.00 0.00 1.07 0.00 0.00 42.92 44.46 1ulp s ASP 26 CO 0.00 -0.88 0.00 0.35 1.18 0.00 0.00 175.17 175.82 1ulp n THR 27 N -0.22 0.00 -1.68 -1.27 -2.24 -1.26 -0.94 114.28 106.67 1ulp n THR 27 Ca -0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1ulp n THR 27 Cb 0.63 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.52 -2.61 -3.65 3.42 7.64 -1.26 -2.20 113.62 113.45 1ulp n SER 28 Ca 0.00 0.24 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 1ulp n SER 28 Cb 0.30 -2.47 0.02 0.00 -1.01 0.00 0.00 64.21 61.05 1ulp n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ulp n THR 29 N -2.13 -5.41 0.00 0.44 -2.24 -1.26 -4.60 114.28 99.08 1ulp n THR 29 Ca -0.09 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1ulp n THR 29 Cb 0.39 -4.09 0.00 0.00 -2.10 0.00 0.00 70.33 64.53 1ulp n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ulp n GLY 30 N -1.74 0.31 3.25 3.38 0.00 -0.88 -4.84 105.19 104.68 1ulp n GLY 30 Ca -0.16 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.88 -0.46 4.61 0.00 -0.31 -4.43 121.76 120.28 1ulp s ALA 31 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1ulp s ALA 31 Cb 0.00 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1ulp s ALA 31 CO 0.00 -0.18 1.13 -1.17 0.00 0.00 0.00 175.76 175.54 1ulp s LEU 32 N -0.04 3.67 -0.11 0.00 0.20 -0.69 -4.22 118.68 117.50 1ulp s LEU 32 Ca -0.02 0.54 0.03 0.00 0.69 0.00 0.00 54.13 55.37 1ulp s LEU 32 Cb -0.03 -3.55 -0.00 0.00 -0.43 0.00 0.00 46.19 42.18 1ulp s LEU 32 CO 0.01 -1.21 -0.21 0.00 -0.29 0.00 0.00 176.35 174.65 1ulp s VAL 34 N 0.42 5.30 -0.85 0.00 -7.23 -0.99 -1.69 120.40 115.36 1ulp s VAL 34 Ca -0.15 -0.46 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1ulp s VAL 34 Cb -0.17 -3.70 0.22 0.00 0.56 0.00 0.00 36.38 33.29 1ulp s VAL 34 CO 0.07 -0.04 0.78 0.00 -0.31 0.00 0.00 175.10 175.60 1ulp s ALA 35 N -1.70 4.14 0.09 1.32 0.00 -1.26 -2.93 121.76 121.42 1ulp s ALA 35 Ca 0.36 -3.45 -0.30 0.00 0.00 0.00 0.00 51.96 48.57 1ulp s ALA 35 Cb -0.12 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1ulp s ALA 35 CO 0.28 -2.23 1.11 0.08 0.00 0.00 0.00 175.76 175.00 1ulp s VAL 36 N -0.24 4.16 0.60 0.00 1.01 -0.71 -3.18 120.40 122.03 1ulp s VAL 36 Ca 0.21 1.65 -0.13 0.00 0.00 0.00 0.00 61.98 63.71 1ulp s VAL 36 Cb -0.11 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1ulp s VAL 36 CO -0.08 0.19 1.02 -2.16 0.00 0.00 0.00 175.10 174.07 1ulp s PRO 37 N 0.53 3.57 -0.11 2.72 0.04 -1.26 -2.45 135.00 138.04 1ulp s PRO 37 Ca 0.54 0.86 -0.41 0.00 0.04 0.00 0.00 61.00 62.03 1ulp s PRO 37 Cb -0.28 -2.08 -0.19 0.00 0.04 0.00 0.00 34.50 32.00 1ulp s PRO 37 CO 0.31 -0.59 1.32 0.00 0.04 0.00 0.00 177.00 178.09 1ulp n ALA 38 N -2.46 -2.13 -3.09 8.56 0.00 -1.26 -2.63 120.51 117.50 1ulp n ALA 38 Ca 0.07 0.53 -0.09 0.00 0.00 0.00 0.00 53.44 53.95 1ulp n ALA 38 Cb 0.54 -1.92 0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 2.58 -1.28 1.55 0.00 0.00 0.04 -4.72 105.19 103.35 1ulp n GLY 39 Ca 0.23 0.53 -0.04 0.00 0.00 0.00 0.00 46.02 46.74 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 0.63 5.37 -1.44 1.61 3.41 -1.08 -4.03 113.62 118.09 1ulp n SER 40 Ca -0.00 -2.52 0.07 0.00 -0.26 0.00 0.00 58.87 56.16 1ulp n SER 40 Cb 0.40 -1.06 0.34 0.00 -0.26 0.00 0.00 64.21 63.63 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 1.15 3.51 -0.39 7.33 0.00 -1.26 -0.63 120.51 130.22 1ulp n ALA 41 Ca 0.07 -2.13 -0.10 0.00 0.00 0.00 0.00 53.44 51.28 1ulp n ALA 41 Cb 0.53 -0.94 0.16 0.00 0.00 0.00 0.00 19.45 19.20 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 0.06 2.34 0.00 0.00 10.64 -1.26 -4.36 117.38 124.80 1ulp n GLN 42 Ca 0.25 -2.00 0.00 0.00 -1.83 0.00 0.00 57.00 53.43 1ulp n GLN 42 Cb 1.07 -1.84 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 1ulp n GLN 42 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1ulp n TYR 43 N -0.28 0.00 -2.16 2.61 0.18 -1.26 -5.07 117.16 111.18 1ulp n TYR 43 Ca 0.33 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 60.07 1ulp n TYR 43 Cb 1.15 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 40.08 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 0.00 -4.46 3.95 -7.48 0.00 -1.25 -4.97 105.19 90.98 1ulp n GLY 44 Ca 0.00 0.93 -0.24 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.41 2.44 0.00 1.61 1.01 -1.11 -4.68 120.40 119.26 1ulp s VAL 45 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1ulp s VAL 45 Cb 0.01 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1ulp s VAL 45 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1ulp n GLY 46 N -2.66 2.96 3.61 4.51 0.00 -0.70 -0.32 105.19 112.58 1ulp n GLY 46 Ca 0.08 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.05 4.43 -0.00 1.61 1.01 0.31 -1.79 120.40 124.92 1ulp s VAL 47 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1ulp s VAL 47 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1ulp s VAL 47 CO 0.00 0.50 -0.17 0.68 0.00 0.00 0.00 175.10 176.11 1ulp s VAL 48 N 0.08 1.36 -0.29 2.92 -7.23 0.09 -1.37 120.40 115.97 1ulp s VAL 48 Ca 0.03 -0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.39 1ulp s VAL 48 Cb -0.13 -1.15 0.09 0.00 0.56 0.00 0.00 36.38 35.76 1ulp s VAL 48 CO 0.02 0.33 0.08 -0.22 -0.31 0.00 0.00 175.10 174.99 1ulp s LEU 49 N -0.55 2.06 -0.17 1.32 2.96 -1.16 -1.69 118.68 121.45 1ulp s LEU 49 Ca 0.06 -1.47 -0.29 0.00 -0.22 0.00 0.00 54.13 52.21 1ulp s LEU 49 Cb -0.07 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.79 1ulp s LEU 49 CO -0.00 -0.39 1.02 0.20 -1.32 0.00 0.00 176.35 175.86 1ulp s ASN 50 N 1.65 7.17 0.00 3.68 0.01 -1.26 -2.37 114.94 123.82 1ulp s ASN 50 Ca 0.07 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 53.67 1ulp s ASN 50 Cb -0.17 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1ulp s ASN 50 CO -0.21 -0.55 0.00 0.61 -1.51 0.00 0.00 177.10 175.43 1ulp n GLY 51 N 3.21 -0.51 3.77 0.66 0.00 -1.08 -4.92 105.19 106.33 1ulp n GLY 51 Ca 0.10 0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 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 1.13 -0.47 1.61 1.01 -1.11 -3.50 120.40 119.06 1ulp s VAL 52 Ca 0.00 -1.99 0.03 0.00 0.00 0.00 0.00 61.98 60.02 1ulp s VAL 52 Cb 0.00 -2.12 0.16 0.00 0.00 0.00 0.00 36.38 34.42 1ulp s VAL 52 CO 0.00 0.00 0.33 0.00 0.00 0.00 0.00 175.10 175.43 1ulp s ALA 53 N -2.88 2.07 0.12 5.51 0.00 -1.23 -4.20 121.76 121.14 1ulp s ALA 53 Ca 0.05 -2.72 -0.04 0.00 0.00 0.00 0.00 51.96 49.25 1ulp s ALA 53 Cb 0.01 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1ulp s ALA 53 CO 0.02 -2.04 0.12 0.42 0.00 0.00 0.00 175.76 174.28 1ulp s ILE 54 N -0.06 0.12 -0.00 0.00 -1.09 -1.12 -4.50 121.20 114.54 1ulp s ILE 54 Ca 0.25 -1.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.03 1ulp s ILE 54 Cb -0.09 -1.78 0.01 0.00 -1.58 0.00 0.00 42.46 39.01 1ulp s ILE 54 CO -0.11 -0.55 0.18 1.21 -1.23 0.00 0.00 174.94 174.44 1ulp n GLU 55 N -0.08 0.02 -3.01 2.79 2.13 -1.22 -0.49 120.64 120.77 1ulp n GLU 55 Ca -0.09 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.67 1ulp n GLU 55 Cb 0.63 0.38 0.00 0.00 0.27 0.00 0.00 31.44 32.72 1ulp n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1ulp n GLU 56 N -0.02 -2.30 -2.47 5.31 2.13 0.24 -4.81 120.64 118.73 1ulp n GLU 56 Ca -0.01 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.39 1ulp n GLU 56 Cb 0.34 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.05 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 -0.01 5.11 3.96 8.31 0.00 -1.22 -2.70 105.19 118.65 1ulp n GLY 57 Ca 0.00 -2.29 -0.23 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.23 1.98 0.35 2.61 2.01 -0.91 -4.85 115.64 115.59 1ulp s THR 58 Ca 0.40 -1.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 1ulp s THR 58 Cb 0.11 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.33 1ulp s THR 58 CO -0.00 0.00 0.67 -0.89 -0.69 0.00 0.00 174.62 173.71 1ulp s THR 59 N -2.69 4.89 -0.24 -0.82 2.01 -1.26 0.53 115.64 118.06 1ulp s THR 59 Ca 0.48 0.37 -0.10 0.00 0.31 0.00 0.00 61.69 62.74 1ulp s THR 59 Cb -0.04 -3.73 0.09 0.00 0.01 0.00 0.00 72.50 68.83 1ulp s THR 59 CO 0.30 -0.42 0.54 -0.31 -0.69 0.00 0.00 174.62 174.04 1ulp s TYR 60 N -2.23 -0.97 -0.34 4.92 2.02 0.24 -4.02 117.35 116.96 1ulp s TYR 60 Ca 0.48 1.84 -0.18 0.00 -0.37 0.00 0.00 57.07 58.84 1ulp s TYR 60 Cb -0.10 0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 41.96 1ulp s TYR 60 CO 0.30 -0.52 0.49 0.99 -1.57 0.00 0.00 175.55 175.25 1ulp s THR 61 N 2.22 5.04 -0.21 -0.71 2.01 -1.24 -1.87 115.64 120.87 1ulp s THR 61 Ca -0.06 0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1ulp s THR 61 Cb -0.10 -3.94 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1ulp s THR 61 CO -0.16 -0.18 0.63 -0.22 -0.69 0.00 0.00 174.62 173.99 1ulp s LEU 62 N 2.34 4.12 -0.01 4.42 2.96 -0.63 -3.97 118.68 127.91 1ulp s LEU 62 Ca 0.18 0.79 0.07 0.00 -0.22 0.00 0.00 54.13 54.95 1ulp s LEU 62 Cb -0.16 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 1ulp s LEU 62 CO 0.13 -0.30 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.52 1ulp s ARG 63 N 2.06 1.72 -0.28 1.98 0.52 -1.17 -2.83 118.95 120.95 1ulp s ARG 63 Ca 0.28 -0.80 -0.28 0.00 -0.52 0.00 0.00 55.73 54.41 1ulp s ARG 63 Cb -0.16 -1.69 0.19 0.00 0.52 0.00 0.00 34.95 33.82 1ulp s ARG 63 CO 0.10 0.46 1.36 1.52 0.02 0.00 0.00 175.30 178.76 1ulp s TYR 64 N -0.54 -0.06 -0.51 -0.53 -0.85 -1.02 -2.32 117.35 111.52 1ulp s TYR 64 Ca 0.08 0.11 0.03 0.00 -0.52 0.00 0.00 57.07 56.78 1ulp s TYR 64 Cb -0.08 0.49 0.13 0.00 0.38 0.00 0.00 41.96 42.87 1ulp s TYR 64 CO -0.01 -0.05 0.25 0.99 -1.52 0.00 0.00 175.55 175.22 1ulp s THR 65 N -0.76 2.65 0.20 -3.49 2.01 -1.26 -0.06 115.64 114.94 1ulp s THR 65 Ca 0.08 -3.20 -0.12 0.00 0.31 0.00 0.00 61.69 58.75 1ulp s THR 65 Cb -0.02 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.58 1ulp s THR 65 CO -0.09 -0.79 0.57 0.00 -0.69 0.00 0.00 174.62 173.62 1ulp s ALA 66 N -0.16 3.55 -0.11 7.40 0.00 -0.88 -3.74 121.76 127.82 1ulp s ALA 66 Ca 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 1ulp s ALA 66 Cb -0.25 -2.51 0.04 0.00 0.00 0.00 0.00 23.12 20.40 1ulp s ALA 66 CO -0.01 0.47 0.25 0.99 0.00 0.00 0.00 175.76 177.46 1ulp s THR 67 N -1.67 -0.03 -0.04 0.00 2.01 -0.72 -2.29 115.64 112.90 1ulp s THR 67 Ca 0.44 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.61 1ulp s THR 67 Cb -0.13 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1ulp s THR 67 CO 0.20 0.05 -0.20 0.00 -0.69 0.00 0.00 174.62 173.97 1ulp s ALA 68 N 1.05 1.75 -1.09 7.40 0.00 -0.83 -0.74 121.76 129.30 1ulp s ALA 68 Ca -0.08 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.12 1ulp s ALA 68 Cb -0.09 -0.53 0.34 0.00 0.00 0.00 0.00 23.12 22.84 1ulp s ALA 68 CO -0.07 0.35 1.21 0.43 0.00 0.00 0.00 175.76 177.69 1ulp n SER 69 N 2.94 0.00 -0.09 0.00 7.64 -1.25 -1.67 113.62 121.18 1ulp n SER 69 Ca -0.17 0.43 0.10 0.00 1.01 0.00 0.00 58.87 60.24 1ulp n SER 69 Cb 0.53 -0.45 0.14 0.00 -1.01 0.00 0.00 64.21 63.41 1ulp n SER 69 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ulp n THR 70 N -1.45 1.88 -4.16 0.44 5.66 -1.26 -4.71 114.28 110.68 1ulp n THR 70 Ca 0.02 -2.23 -0.29 0.00 -3.05 0.00 0.00 64.05 58.50 1ulp n THR 70 Cb 0.08 -0.22 -0.07 0.00 -1.55 0.00 0.00 70.33 68.57 1ulp n THR 70 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ulp n ASP 71 N -1.40 0.41 -4.78 1.09 2.03 -0.67 -4.87 116.55 108.36 1ulp n ASP 71 Ca 0.16 -1.16 -0.37 0.00 0.52 0.00 0.00 54.79 53.94 1ulp n ASP 71 Cb 0.64 -2.22 -0.04 0.00 -0.72 0.00 0.00 41.12 38.78 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ulp s VAL 72 N -4.20 3.74 -0.60 5.18 0.11 -1.26 -4.54 120.40 118.84 1ulp s VAL 72 Ca 0.00 1.35 0.04 0.00 -2.93 0.00 0.00 61.98 60.45 1ulp s VAL 72 Cb -0.00 -3.71 0.15 0.00 -1.53 0.00 0.00 36.38 31.28 1ulp s VAL 72 CO 0.95 0.03 0.36 -0.89 -3.33 0.00 0.00 175.10 172.22 1ulp s THR 73 N -1.64 2.73 0.00 5.04 2.01 -1.26 -1.58 115.64 120.94 1ulp s THR 73 Ca 0.57 -3.71 0.00 0.00 0.31 0.00 0.00 61.69 58.85 1ulp s THR 73 Cb -0.22 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1ulp s THR 73 CO 0.28 -0.88 0.00 1.33 -0.69 0.00 0.00 174.62 174.66 1ulp n VAL 74 N 2.64 0.00 -4.20 3.82 0.24 -1.25 -4.91 118.33 114.67 1ulp n VAL 74 Ca 0.11 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.23 1ulp n VAL 74 Cb 0.33 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.58 1ulp n VAL 74 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ulp s ARG 75 N 2.32 0.77 0.05 7.34 0.52 -1.07 -3.79 118.95 125.08 1ulp s ARG 75 Ca 0.00 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 1ulp s ARG 75 Cb 0.00 -0.72 0.01 0.00 0.52 0.00 0.00 34.95 34.76 1ulp s ARG 75 CO 0.00 0.17 0.25 0.00 0.02 0.00 0.00 175.30 175.73 1ulp s ALA 76 N -1.09 -0.51 0.00 2.13 0.00 -1.17 -0.99 121.76 120.13 1ulp s ALA 76 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1ulp s ALA 76 Cb -0.09 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1ulp s ALA 76 CO 0.01 -0.40 0.00 1.47 0.00 0.00 0.00 175.76 176.84 1ulp n LEU 77 N 0.56 0.00 -4.02 0.00 -0.00 -0.77 -3.14 117.00 109.64 1ulp n LEU 77 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.73 1ulp n LEU 77 Cb 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.95 1ulp n LEU 77 CO 0.21 0.00 0.02 -0.69 -0.00 0.00 0.00 177.39 176.93 1ulp s VAL 78 N -3.00 0.03 -1.48 1.47 1.01 -1.25 -1.85 120.40 115.33 1ulp s VAL 78 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1ulp s VAL 78 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1ulp s VAL 78 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1ulp n GLY 79 N -0.29 -1.49 4.01 4.51 0.00 -1.16 -3.17 105.19 107.59 1ulp n GLY 79 Ca -0.03 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.40 1.84 -0.39 1.61 -0.44 -1.09 -1.41 119.66 118.38 1ulp s GLN 80 Ca 0.00 -1.29 0.03 0.00 -2.50 0.00 0.00 55.36 51.60 1ulp s GLN 80 Cb 0.00 -2.42 0.16 0.00 -1.64 0.00 0.00 33.01 29.10 1ulp s GLN 80 CO 0.00 -1.29 0.37 -0.80 0.50 0.00 0.00 175.29 174.07 1ulp s ASN 81 N -4.72 1.26 0.00 6.67 0.01 0.31 -4.67 114.94 113.80 1ulp s ASN 81 Ca 0.65 -1.93 0.00 0.00 -0.71 0.00 0.00 52.86 50.87 1ulp s ASN 81 Cb -0.05 0.37 0.00 0.00 0.41 0.00 0.00 41.25 41.98 1ulp s ASN 81 CO 0.43 -0.23 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1ulp n GLY 82 N 3.88 0.23 1.61 0.66 0.00 -1.26 -3.13 105.19 107.18 1ulp n GLY 82 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.95 0.96 4.61 0.00 -1.26 -4.72 120.51 118.15 1ulp n ALA 83 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ulp n ALA 83 Cb 0.00 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.33 1.07 -1.85 0.00 -0.04 -1.26 -4.94 135.00 125.65 1ulp n PRO 84 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1ulp n PRO 84 Cb 0.40 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.06 -4.80 -3.32 0.54 4.01 -1.26 -5.01 117.16 107.38 1ulp n TYR 85 Ca 0.01 2.50 -0.10 0.00 -0.16 0.00 0.00 57.90 60.14 1ulp n TYR 85 Cb 0.29 -3.68 -0.06 0.00 -0.31 0.00 0.00 39.34 35.58 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 -2.08 -0.50 -0.05 2.72 0.00 -1.26 -4.87 107.32 101.28 1ulp s GLY 86 Ca 0.00 0.06 -0.18 0.00 0.00 0.00 0.00 44.72 44.60 1ulp s GLY 86 CO 0.00 3.00 0.50 -0.51 0.00 0.00 0.00 173.10 176.09 1ulp s THR 87 N 2.42 5.05 0.00 0.90 -4.23 -1.26 -2.68 115.64 115.84 1ulp s THR 87 Ca 0.10 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1ulp s THR 87 Cb -0.13 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1ulp s THR 87 CO -0.28 0.42 0.04 1.33 -0.54 0.00 0.00 174.62 175.59 1ulp n VAL 88 N 2.89 0.00 -5.19 2.29 0.24 -1.19 -4.81 118.33 112.56 1ulp n VAL 88 Ca -0.09 -0.49 -0.32 0.00 -2.04 0.00 0.00 64.34 61.40 1ulp n VAL 88 Cb 0.52 1.00 -0.16 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.82 2.22 -0.42 1.34 1.02 -1.25 -4.75 118.68 115.01 1ulp s LEU 89 Ca 0.00 -0.43 0.05 0.00 0.02 0.00 0.00 54.13 53.77 1ulp s LEU 89 Cb 0.00 -1.41 0.17 0.00 0.02 0.00 0.00 46.19 44.98 1ulp s LEU 89 CO 0.00 0.29 0.49 1.51 0.02 0.00 0.00 176.35 178.66 1ulp s ASP 90 N -0.41 0.22 0.15 2.29 -4.77 -1.26 -3.86 116.67 109.03 1ulp s ASP 90 Ca 0.04 -1.88 0.01 0.00 -3.30 0.00 0.00 52.55 47.42 1ulp s ASP 90 Cb -0.12 0.85 -0.00 0.00 -1.09 0.00 0.00 42.92 42.55 1ulp s ASP 90 CO 0.01 -0.17 0.17 0.35 0.70 0.00 0.00 175.17 176.23 1ulp n THR 91 N 3.59 0.00 -4.10 2.11 -2.24 -1.19 -5.09 114.28 107.37 1ulp n THR 91 Ca 0.17 -0.94 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 1ulp n THR 91 Cb 0.50 0.51 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 1ulp n THR 91 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ulp s SER 92 N -2.00 3.58 -1.20 3.42 0.01 -1.26 -3.06 113.70 113.19 1ulp s SER 92 Ca 0.15 -0.87 -0.22 0.00 1.31 0.00 0.00 55.95 56.32 1ulp s SER 92 Cb 0.00 -1.51 -0.06 0.00 0.21 0.00 0.00 66.02 64.66 1ulp s SER 92 CO 0.11 -0.06 1.90 -0.81 0.41 0.00 0.00 173.24 174.79 1ulp n PRO 93 N 4.57 1.92 -2.11 12.44 -0.04 -1.25 -4.92 135.00 145.60 1ulp n PRO 93 Ca -0.19 -2.61 -0.37 0.00 -0.04 0.00 0.00 63.50 60.30 1ulp n PRO 93 Cb 0.48 -3.66 0.01 0.00 -0.04 0.00 0.00 33.50 30.29 1ulp n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp s ALA 94 N 9.48 2.77 0.36 0.55 0.00 -1.26 -3.81 121.76 129.84 1ulp s ALA 94 Ca 0.65 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1ulp s ALA 94 Cb 0.01 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1ulp s ALA 94 CO 0.12 -0.94 0.17 -0.51 0.00 0.00 0.00 175.76 174.61 1ulp s LEU 95 N -3.56 1.84 0.00 0.00 1.43 -0.61 -4.88 118.68 112.89 1ulp s LEU 95 Ca 0.71 -1.65 -0.21 0.00 -1.03 0.00 0.00 54.13 51.94 1ulp s LEU 95 Cb -0.30 0.14 0.07 0.00 0.03 0.00 0.00 46.19 46.13 1ulp s LEU 95 CO 0.35 -0.94 1.01 1.07 0.23 0.00 0.00 176.35 178.07 1ulp n THR 96 N -0.74 0.00 0.20 5.49 5.66 -1.22 -4.08 114.28 119.59 1ulp n THR 96 Ca -0.01 -0.43 0.04 0.00 -3.05 0.00 0.00 64.05 60.61 1ulp n THR 96 Cb 0.64 0.67 0.45 0.00 -1.55 0.00 0.00 70.33 70.55 1ulp n THR 96 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1ulp h SER 97 N 1.83 0.03 -1.81 1.09 0.87 -1.81 -2.22 113.55 111.53 1ulp h SER 97 Ca -0.24 -0.01 -0.48 0.00 -1.23 0.00 0.00 61.79 59.84 1ulp h SER 97 Cb 1.10 -0.01 0.08 0.00 -0.44 0.00 0.00 62.40 63.14 1ulp h SER 97 CO 0.32 0.25 0.10 -1.61 -0.53 0.00 0.00 176.83 175.37 1ulp s GLU 98 N -4.54 1.59 0.19 2.24 2.02 -1.26 -4.89 118.70 114.05 1ulp s GLU 98 Ca -0.04 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 1ulp s GLU 98 Cb 0.15 -2.35 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 1ulp s GLU 98 CO 0.71 -1.51 1.22 -1.25 0.02 0.00 0.00 175.26 174.45 1ulp s PRO 99 N -5.14 4.47 -0.60 0.39 0.04 -1.26 -4.67 135.00 128.23 1ulp s PRO 99 Ca 0.68 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.67 1ulp s PRO 99 Cb -0.04 -3.23 0.15 0.00 0.04 0.00 0.00 34.50 31.42 1ulp s PRO 99 CO 0.45 -0.12 0.37 0.50 0.04 0.00 0.00 177.00 178.23 1ulp s ARG 100 N -0.24 2.21 0.66 4.56 3.00 -0.97 -5.00 118.95 123.18 1ulp s ARG 100 Ca 0.53 -2.94 -0.14 0.00 -1.00 0.00 0.00 55.73 52.19 1ulp s ARG 100 Cb -0.33 -3.38 -0.00 0.00 0.00 0.00 0.00 34.95 31.23 1ulp s ARG 100 CO 0.37 -1.19 1.09 -0.65 0.00 0.00 0.00 175.30 174.92 1ulp s GLN 101 N -0.79 2.88 -0.00 5.12 -0.21 -1.26 -2.08 119.66 123.32 1ulp s GLN 101 Ca 0.20 1.25 0.00 0.00 0.02 0.00 0.00 55.36 56.83 1ulp s GLN 101 Cb -0.17 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 31.88 1ulp s GLN 101 CO -0.07 -1.17 -0.00 0.08 -2.12 0.00 0.00 175.29 172.01 1ulp s VAL 102 N -2.55 0.03 -0.17 1.09 1.01 0.92 -4.92 120.40 115.80 1ulp s VAL 102 Ca 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1ulp s VAL 102 Cb -0.18 -0.05 0.09 0.00 0.00 0.00 0.00 36.38 36.24 1ulp s VAL 102 CO 0.44 0.02 0.30 0.42 0.00 0.00 0.00 175.10 176.28 1ulp s THR 103 N 0.11 -0.46 -0.03 3.92 -4.23 -1.24 -2.69 115.64 111.01 1ulp s THR 103 Ca -0.01 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1ulp s THR 103 Cb -0.02 -0.58 0.03 0.00 1.34 0.00 0.00 72.50 73.27 1ulp s THR 103 CO -0.00 0.01 0.05 -1.61 -0.54 0.00 0.00 174.62 172.53 1ulp s GLU 104 N 2.45 0.00 -1.30 3.99 0.41 -1.13 -4.95 118.70 118.17 1ulp s GLU 104 Ca 0.04 0.20 -0.07 0.00 -0.41 0.00 0.00 54.97 54.72 1ulp s GLU 104 Cb -0.13 -0.19 0.14 0.00 -1.78 0.00 0.00 34.13 32.18 1ulp s GLU 104 CO -0.11 -0.14 2.12 2.41 -0.49 0.00 0.00 175.26 179.05 1ulp n THR 105 N 3.98 4.77 -2.34 3.63 -1.04 -1.26 -1.60 114.28 120.42 1ulp n THR 105 Ca -0.25 -4.36 -0.38 0.00 -2.04 0.00 0.00 64.05 57.02 1ulp n THR 105 Cb 0.52 -2.23 -0.02 0.00 -1.82 0.00 0.00 70.33 66.78 1ulp n THR 105 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1ulp s PHE 106 N -0.34 3.07 -0.85 -1.42 -0.12 -0.78 -4.62 117.98 112.92 1ulp s PHE 106 Ca 0.46 1.57 -0.20 0.00 -0.05 0.00 0.00 56.93 58.72 1ulp s PHE 106 Cb 0.14 -3.34 0.11 0.00 -0.63 0.00 0.00 43.02 39.31 1ulp s PHE 106 CO -0.04 -1.22 1.07 0.99 -0.05 0.00 0.00 175.22 175.98 1ulp s THR 107 N -1.49 4.63 -0.92 -4.49 2.01 -1.26 -0.59 115.64 113.53 1ulp s THR 107 Ca 0.59 -1.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 1ulp s THR 107 Cb -0.28 -4.75 -0.26 0.00 0.01 0.00 0.00 72.50 67.22 1ulp s THR 107 CO 0.35 -1.48 2.33 0.00 -0.69 0.00 0.00 174.62 175.14 1ulp n ALA 108 N 6.82 0.79 -1.67 7.40 0.00 0.19 -4.68 120.51 129.36 1ulp n ALA 108 Ca 0.16 -0.83 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 1ulp n ALA 108 Cb 0.48 -2.60 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 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 9.81 7.17 0.00 0.00 3.41 -1.26 -2.15 113.62 130.60 1ulp n SER 109 Ca 0.61 -3.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.11 1ulp n SER 109 Cb 0.20 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1ulp n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 110 N 1.44 0.00 -3.63 7.33 0.00 -1.10 -4.85 120.51 119.70 1ulp n ALA 110 Ca 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1ulp n ALA 110 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 1ulp n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulp s THR 111 N -1.95 -0.47 -0.74 0.00 2.01 -1.26 0.83 115.64 114.06 1ulp s THR 111 Ca 0.00 0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 1ulp s THR 111 Cb 0.00 -0.53 0.18 0.00 0.01 0.00 0.00 72.50 72.16 1ulp s THR 111 CO 0.00 0.07 0.57 -0.31 -0.69 0.00 0.00 174.62 174.26 1ulp s TYR 112 N 2.46 3.60 0.06 4.92 2.02 0.35 -4.60 117.35 126.16 1ulp s TYR 112 Ca 0.02 -2.91 -0.31 0.00 -0.37 0.00 0.00 57.07 53.50 1ulp s TYR 112 Cb -0.13 -3.16 -0.07 0.00 -0.40 0.00 0.00 41.96 38.21 1ulp s TYR 112 CO -0.10 -0.77 1.39 -1.25 -1.57 0.00 0.00 175.55 173.25 1ulp s PRO 113 N -0.71 4.31 -0.93 -1.71 0.04 -1.25 -2.80 135.00 131.95 1ulp s PRO 113 Ca 0.22 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 1ulp s PRO 113 Cb -0.14 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1ulp s PRO 113 CO -0.08 -0.49 2.91 0.00 0.04 0.00 0.00 177.00 179.38 1ulp n ALA 114 N 4.61 6.86 -3.35 8.56 0.00 -1.26 -3.72 120.51 132.21 1ulp n ALA 114 Ca 0.12 -3.20 -0.26 0.00 0.00 0.00 0.00 53.44 50.10 1ulp n ALA 114 Cb 0.43 -2.71 -0.09 0.00 0.00 0.00 0.00 19.45 17.08 1ulp n ALA 114 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ulp n THR 115 N 2.25 -0.38 -2.18 0.00 -1.04 -1.26 -4.98 114.28 106.68 1ulp n THR 115 Ca 0.60 -3.99 -0.31 0.00 -2.04 0.00 0.00 64.05 58.31 1ulp n THR 115 Cb 0.46 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 67.04 1ulp n THR 115 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1ulp s PRO 116 N -0.87 2.82 0.13 -2.82 0.04 -1.23 -3.95 135.00 129.13 1ulp s PRO 116 Ca 0.34 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 60.12 1ulp s PRO 116 Cb 0.10 -5.29 -0.00 0.00 0.04 0.00 0.00 34.50 29.35 1ulp s PRO 116 CO -0.14 -3.55 0.01 0.00 0.04 0.00 0.00 177.00 173.36 1ulp n ALA 117 N 13.03 0.13 0.10 8.56 0.00 -0.55 -4.96 120.51 136.82 1ulp n ALA 117 Ca 0.45 -0.62 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1ulp n ALA 117 Cb 0.47 0.36 -0.06 0.00 0.00 0.00 0.00 19.45 20.21 1ulp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp h ALA 118 N 1.11 -0.63 -0.87 0.00 0.00 -2.02 -2.90 119.26 113.95 1ulp h ALA 118 Ca -0.11 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.14 1ulp h ALA 118 Cb 0.35 0.63 -0.37 0.00 0.00 0.00 0.00 17.79 18.40 1ulp h ALA 118 CO 0.18 -0.92 -0.05 -3.47 0.00 0.00 0.00 179.25 174.99 1ulp n ASP 119 N -5.44 6.19 -3.54 0.00 -0.08 -1.26 -4.88 116.55 107.53 1ulp n ASP 119 Ca -0.06 -3.77 -0.29 0.00 -1.51 0.00 0.00 54.79 49.16 1ulp n ASP 119 Cb 0.36 -0.63 -0.15 0.00 2.34 0.00 0.00 41.12 43.04 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 -2.80 3.52 1.10 1.67 1.01 -1.09 -5.13 116.67 114.94 1ulp s ASP 120 Ca 0.57 -1.37 -0.13 0.00 0.71 0.00 0.00 52.55 52.33 1ulp s ASP 120 Cb 0.45 -0.38 0.19 0.00 1.01 0.00 0.00 42.92 44.20 1ulp s ASP 120 CO 0.01 -0.43 0.85 -0.81 0.21 0.00 0.00 175.17 175.00 1ulp n PRO 121 N 5.14 -1.81 -3.81 8.23 -0.04 -1.25 -1.48 135.00 139.98 1ulp n PRO 121 Ca -0.05 -1.34 -0.06 0.00 -0.04 0.00 0.00 63.50 62.02 1ulp n PRO 121 Cb 0.42 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 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 -4.89 1.57 0.18 0.54 -1.05 -1.18 -4.01 118.70 109.84 1ulp s GLU 122 Ca 0.52 -0.86 0.06 0.00 -0.15 0.00 0.00 54.97 54.53 1ulp s GLU 122 Cb -0.03 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 1ulp s GLU 122 CO 0.38 -0.72 0.12 0.20 0.95 0.00 0.00 175.26 176.20 1ulp s GLY 123 N -2.92 1.68 0.00 -3.83 0.00 -1.24 0.11 107.32 101.12 1ulp s GLY 123 Ca 0.11 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.57 1ulp s GLY 123 CO 0.05 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.48 1ulp n GLN 124 N -0.42 0.00 -4.97 2.90 10.64 -0.50 -2.62 117.38 122.41 1ulp n GLN 124 Ca -0.08 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.78 1ulp n GLN 124 Cb 0.55 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.79 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 -2.05 2.39 -0.18 -0.39 1.01 -1.00 -3.00 121.20 117.98 1ulp s ILE 125 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1ulp s ILE 125 Cb 0.00 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1ulp s ILE 125 CO 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 174.94 175.23 1ulp s ALA 126 N -0.76 2.44 -0.35 9.38 0.00 -0.77 -3.01 121.76 128.68 1ulp s ALA 126 Ca 0.12 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1ulp s ALA 126 Cb -0.10 -1.27 0.10 0.00 0.00 0.00 0.00 23.12 21.84 1ulp s ALA 126 CO 0.02 -0.31 0.06 -0.06 0.00 0.00 0.00 175.76 175.47 1ulp s PHE 127 N 1.24 3.70 -0.58 0.00 0.40 -0.47 -1.85 117.98 120.42 1ulp s PHE 127 Ca 0.03 -2.85 -0.22 0.00 -0.60 0.00 0.00 56.93 53.29 1ulp s PHE 127 Cb -0.14 -2.90 0.06 0.00 0.51 0.00 0.00 43.02 40.55 1ulp s PHE 127 CO -0.09 -0.95 0.86 -0.65 0.70 0.00 0.00 175.22 175.09 1ulp s GLN 128 N 0.96 3.18 -0.68 0.44 -1.52 -0.16 -0.53 119.66 121.35 1ulp s GLN 128 Ca 0.09 -0.70 -0.02 0.00 -1.95 0.00 0.00 55.36 52.78 1ulp s GLN 128 Cb -0.20 -4.14 0.44 0.00 -0.22 0.00 0.00 33.01 28.89 1ulp s GLN 128 CO -0.07 -1.55 2.01 1.28 -0.25 0.00 0.00 175.29 176.71 1ulp n LEU 129 N 7.16 7.61 -4.57 2.90 4.77 0.56 -2.59 117.00 132.84 1ulp n LEU 129 Ca -0.03 -4.36 -0.24 0.00 -0.03 0.00 0.00 56.01 51.34 1ulp n LEU 129 Cb 0.46 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 1ulp n LEU 129 CO 0.61 1.52 1.35 -0.83 -1.33 0.00 0.00 177.39 178.72 1ulp s GLY 130 N -1.81 -0.09 -0.48 -0.72 0.00 -1.07 -2.75 107.32 100.39 1ulp s GLY 130 Ca 0.63 -1.64 -0.36 0.00 0.00 0.00 0.00 44.72 43.35 1ulp s GLY 130 CO -0.05 3.69 0.66 0.61 0.00 0.00 0.00 173.10 178.01 1ulp n GLY 131 N 6.42 0.04 0.18 0.20 0.00 0.20 -4.74 105.19 107.50 1ulp n GLY 131 Ca 0.43 1.13 -0.13 0.00 0.00 0.00 0.00 46.02 47.44 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 -0.37 0.00 -2.31 1.61 3.72 -1.26 -4.76 117.46 114.09 1ulp n PHE 132 Ca -0.10 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.13 1ulp n PHE 132 Cb 0.68 -0.64 0.09 0.00 -0.94 0.00 0.00 39.48 38.68 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp n SER 133 N -3.20 0.73 0.00 4.37 2.88 -1.26 -4.78 113.62 112.36 1ulp n SER 133 Ca -0.31 -1.67 0.00 0.00 -1.33 0.00 0.00 58.87 55.56 1ulp n SER 133 Cb 0.79 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1ulp n SER 133 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp n ALA 134 N -3.07 0.00 -0.70 -1.46 0.00 -1.26 -4.55 120.51 109.47 1ulp n ALA 134 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 1ulp n ALA 134 Cb 0.39 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.00 1.11 0.25 0.00 1.01 -1.26 -0.78 116.67 116.01 1ulp s ASP 135 Ca 0.00 1.33 -0.30 0.00 0.71 0.00 0.00 52.55 54.28 1ulp s ASP 135 Cb 0.00 -2.06 -0.14 0.00 1.01 0.00 0.00 42.92 41.74 1ulp s ASP 135 CO 0.00 -4.09 1.27 0.00 0.21 0.00 0.00 175.17 172.56 1ulp n ALA 136 N -4.83 0.56 -3.00 5.23 0.00 -1.26 -4.11 120.51 113.10 1ulp n ALA 136 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1ulp n ALA 136 Cb 0.56 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.26 -0.20 -3.68 0.00 2.14 -1.02 -4.83 117.44 111.11 1ulp n TRP 137 Ca 0.11 0.00 -0.09 0.00 2.07 0.00 0.00 57.50 59.59 1ulp n TRP 137 Cb 0.31 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.79 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 -2.08 0.00 0.30 -1.67 2.01 -1.26 -1.74 115.64 111.20 1ulp s THR 138 Ca 0.00 -0.59 0.11 0.00 0.31 0.00 0.00 61.69 61.53 1ulp s THR 138 Cb 0.00 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 1ulp s THR 138 CO 0.00 0.00 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.01 1ulp s LEU 139 N -2.85 2.67 -0.34 4.42 1.02 -1.15 -3.80 118.68 118.65 1ulp s LEU 139 Ca 0.07 -1.05 0.03 0.00 0.02 0.00 0.00 54.13 53.20 1ulp s LEU 139 Cb -0.04 -1.12 0.16 0.00 0.02 0.00 0.00 46.19 45.21 1ulp s LEU 139 CO -0.01 -0.03 0.41 0.00 0.02 0.00 0.00 176.35 176.74 1ulp n LEU 141 N 4.73 0.00 0.00 0.00 4.77 -0.50 -1.76 117.00 124.24 1ulp n LEU 141 Ca 0.06 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 1ulp n LEU 141 Cb 0.48 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ulp n LEU 141 CO 0.03 -0.74 0.00 -0.90 -1.33 0.00 0.00 177.39 174.45 1ulp n ASP 142 N -2.81 0.00 0.00 -1.43 5.68 -1.25 -1.70 116.55 115.05 1ulp n ASP 142 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.39 1ulp n ASP 142 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1ulp n ASP 142 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulp n ASP 143 N 0.00 0.00 -4.56 -1.12 2.03 -1.25 -4.60 116.55 107.04 1ulp n ASP 143 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1ulp n ASP 143 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.00 4.81 0.12 5.18 1.01 -1.21 -2.43 120.40 127.88 1ulp s VAL 144 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.51 1ulp s VAL 144 Cb 0.00 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1ulp s VAL 144 CO 0.00 -0.43 0.16 0.00 0.00 0.00 0.00 175.10 174.83 1ulp s ALA 145 N 2.89 0.24 -0.10 5.51 0.00 -0.98 -2.51 121.76 126.81 1ulp s ALA 145 Ca 0.27 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1ulp s ALA 145 Cb -0.14 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.71 1ulp s ALA 145 CO 0.17 -0.53 0.23 -1.17 0.00 0.00 0.00 175.76 174.45 1ulp s LEU 146 N -2.95 0.38 0.00 0.00 2.96 -1.26 -3.04 118.68 114.77 1ulp s LEU 146 Ca 0.14 0.49 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 1ulp s LEU 146 Cb 0.05 0.66 0.00 0.00 0.50 0.00 0.00 46.19 47.40 1ulp s LEU 146 CO -0.04 -0.17 0.00 -0.67 -1.32 0.00 0.00 176.35 174.15 1ulp n ASP 147 N 4.36 0.18 -4.19 3.68 -0.08 -1.25 -4.88 116.55 114.36 1ulp n ASP 147 Ca -0.23 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 52.93 1ulp n ASP 147 Cb 0.52 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.88 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 0.17 -0.35 1.67 1.04 -1.26 -3.71 113.70 112.26 1ulp s SER 148 Ca 0.00 -1.35 -0.43 0.00 0.48 0.00 0.00 55.95 54.64 1ulp s SER 148 Cb 0.00 0.37 -0.18 0.00 0.10 0.00 0.00 66.02 66.31 1ulp s SER 148 CO 0.00 -0.83 1.60 -1.84 0.98 0.00 0.00 173.24 173.15 1ulp n GLU 149 N -0.24 0.47 -3.33 4.02 0.28 -1.26 -4.91 120.64 115.67 1ulp n GLU 149 Ca 0.01 0.17 -0.21 0.00 -0.16 0.00 0.00 57.16 56.97 1ulp n GLU 149 Cb 0.66 -1.75 0.03 0.00 1.43 0.00 0.00 31.44 31.81 1ulp n GLU 149 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ulp s VAL 150 N 2.83 2.11 0.00 3.84 0.11 -1.26 -5.10 120.40 122.93 1ulp s VAL 150 Ca 1.00 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1ulp s VAL 150 Cb -1.30 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1ulp s VAL 150 CO 0.72 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 171.87 1ulp n GLU 151 N -2.01 -0.86 -0.08 1.54 4.71 -1.26 -5.29 120.64 117.39 1ulp n GLU 151 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1ulp n GLU 151 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.05 1ulp n GLU 151 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50