#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 2.06 -3.20 0.00 7.64 -1.26 -4.88 113.62 113.98 1ulp n SER 2 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1ulp n SER 2 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ulp n PRO 3 N 8.37 1.64 -0.80 1.43 -0.04 -1.26 -4.59 135.00 139.75 1ulp n PRO 3 Ca 0.42 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.84 1ulp n PRO 3 Cb 0.27 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 33.97 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 2.37 0.00 0.52 -5.35 -1.24 -4.79 119.36 110.73 1ulp n ILE 4 Ca 0.00 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.24 1ulp n ILE 4 Cb 0.00 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 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 -0.01 3.17 3.52 3.28 0.00 -1.26 -4.67 105.19 109.21 1ulp n GLY 5 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.24 -1.72 -0.47 1.61 2.13 -1.24 -4.96 120.64 114.77 1ulp n GLU 6 Ca 0.00 1.19 0.00 0.00 0.66 0.00 0.00 57.16 59.01 1ulp n GLU 6 Cb 0.00 -2.97 0.00 0.00 0.27 0.00 0.00 31.44 28.74 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ulp n GLY 7 N -1.08 2.28 1.29 8.31 0.00 -1.18 -4.93 105.19 109.88 1ulp n GLY 7 Ca -0.17 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1ulp n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 8 N 0.00 2.46 -3.44 2.61 -2.24 -1.26 -1.27 114.28 111.14 1ulp n THR 8 Ca 0.00 -3.47 -0.18 0.00 -2.27 0.00 0.00 64.05 58.13 1ulp n THR 8 Cb 0.00 -0.61 0.09 0.00 -2.10 0.00 0.00 70.33 67.71 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 -0.97 -2.29 -0.30 4.78 3.72 -1.26 -3.80 117.46 117.34 1ulp n PHE 9 Ca 0.33 0.94 -0.13 0.00 -0.05 0.00 0.00 57.45 58.54 1ulp n PHE 9 Cb 0.86 -5.04 0.08 0.00 -0.94 0.00 0.00 39.48 34.44 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 -3.08 4.08 0.00 4.37 2.03 -1.26 -0.11 116.55 122.58 1ulp n ASP 10 Ca -0.23 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1ulp n ASP 10 Cb 0.65 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.20 0.00 0.00 1.67 8.00 -1.26 -4.65 116.55 120.11 1ulp n ASP 11 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1ulp n ASP 11 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulp n GLY 12 N 0.00 4.02 0.00 0.44 0.00 -1.26 -4.88 105.19 103.51 1ulp n GLY 12 Ca 0.00 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.38 0.73 0.00 1.61 -0.04 -1.26 -4.52 135.00 131.15 1ulp n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ulp n PRO 13 Cb 0.00 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 -0.92 0.00 0.00 0.54 4.71 -1.26 -1.79 120.64 121.92 1ulp n GLU 14 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1ulp n GLU 14 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.50 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 -0.93 3.58 0.62 0.00 -1.26 -5.03 105.19 102.16 1ulp n GLY 15 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.07 1.51 0.13 1.61 0.52 -0.74 -4.27 118.94 117.63 1ulp s TRP 16 Ca 0.00 0.85 0.08 0.00 0.02 0.00 0.00 56.10 57.05 1ulp s TRP 16 Cb 0.00 -3.97 -0.04 0.00 -1.15 0.00 0.00 33.47 28.31 1ulp s TRP 16 CO 0.00 -2.88 -0.10 0.14 0.02 0.00 0.00 176.95 174.13 1ulp s VAL 17 N 8.82 3.31 -0.02 4.03 -7.23 -0.83 -4.92 120.40 123.55 1ulp s VAL 17 Ca 0.84 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 1ulp s VAL 17 Cb -0.20 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1ulp s VAL 17 CO 0.29 0.02 -0.07 0.00 -0.31 0.00 0.00 175.10 175.03 1ulp s ALA 18 N -1.40 0.69 0.07 1.32 0.00 -1.26 -0.40 121.76 120.78 1ulp s ALA 18 Ca 0.23 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.98 1ulp s ALA 18 Cb -0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1ulp s ALA 18 CO 0.14 0.12 -0.17 1.52 0.00 0.00 0.00 175.76 177.37 1ulp s TYR 19 N 0.12 1.46 0.00 0.00 -0.85 -0.51 -4.79 117.35 112.79 1ulp s TYR 19 Ca -0.01 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 1ulp s TYR 19 Cb -0.07 -0.83 0.00 0.00 0.38 0.00 0.00 41.96 41.45 1ulp s TYR 19 CO 0.00 0.10 0.00 0.41 -1.52 0.00 0.00 175.55 174.54 1ulp n GLY 20 N 1.40 1.15 0.00 5.49 0.00 -1.26 -2.02 105.19 109.94 1ulp n GLY 20 Ca -0.20 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.09 0.00 -5.05 2.61 -2.24 -1.26 -4.63 114.28 101.62 1ulp n THR 21 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1ulp n THR 21 Cb 0.07 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.15 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 1.00 3.58 0.26 3.42 2.15 -1.18 -4.95 116.67 120.95 1ulp s ASP 22 Ca 0.00 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.62 1ulp s ASP 22 Cb 0.00 -0.94 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 1ulp s ASP 22 CO 0.00 0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 1ulp n GLY 23 N 2.78 -1.41 0.00 2.66 0.00 -1.26 -4.55 105.19 103.41 1ulp n GLY 23 Ca -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1ulp n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ulp n PRO 24 N -3.14 1.11 -3.51 1.61 -0.04 -1.26 -4.89 135.00 124.88 1ulp n PRO 24 Ca -0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 1ulp n PRO 24 Cb 0.61 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.01 1ulp n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ulp s LEU 25 N 0.00 4.34 -0.28 1.53 1.43 -1.26 -4.71 118.68 119.73 1ulp s LEU 25 Ca 0.00 0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 53.83 1ulp s LEU 25 Cb 0.00 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.10 1ulp s LEU 25 CO 0.00 0.14 0.30 -1.81 0.23 0.00 0.00 176.35 175.21 1ulp s ASP 26 N -1.78 6.15 -0.00 2.29 1.11 -1.07 -4.91 116.67 118.46 1ulp s ASP 26 Ca 0.35 0.10 -0.00 0.00 0.18 0.00 0.00 52.55 53.18 1ulp s ASP 26 Cb -0.14 -2.17 -0.00 0.00 1.07 0.00 0.00 42.92 41.67 1ulp s ASP 26 CO 0.19 -0.15 -0.01 0.35 1.18 0.00 0.00 175.17 176.73 1ulp n THR 27 N 5.11 0.03 -3.62 -1.27 -2.24 -1.25 -1.59 114.28 109.44 1ulp n THR 27 Ca -0.11 -0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 1ulp n THR 27 Cb 0.51 -0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 1ulp n THR 27 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ulp n SER 28 N -2.75 -2.39 -3.50 3.42 2.88 -1.26 -0.76 113.62 109.26 1ulp n SER 28 Ca -0.01 -0.52 -0.25 0.00 -1.33 0.00 0.00 58.87 56.77 1ulp n SER 28 Cb 0.51 -2.05 0.06 0.00 -0.75 0.00 0.00 64.21 61.97 1ulp n SER 28 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ulp n THR 29 N -3.66 -7.26 0.00 2.46 -2.24 -1.26 -4.85 114.28 97.46 1ulp n THR 29 Ca 0.04 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 1ulp n THR 29 Cb 0.50 -5.26 0.00 0.00 -2.10 0.00 0.00 70.33 63.46 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 -1.49 -1.77 3.27 3.38 0.00 0.84 -4.53 105.19 104.89 1ulp n GLY 30 Ca -0.08 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N -1.04 -0.61 -0.41 4.61 0.00 -1.20 -4.16 121.76 118.94 1ulp s ALA 31 Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 51.96 51.43 1ulp s ALA 31 Cb 0.00 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1ulp s ALA 31 CO 0.00 -0.59 0.76 -1.17 0.00 0.00 0.00 175.76 174.76 1ulp s LEU 32 N -2.83 4.24 -0.29 0.00 2.96 -1.04 -3.86 118.68 117.85 1ulp s LEU 32 Ca 0.04 0.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1ulp s LEU 32 Cb 0.03 -2.94 0.07 0.00 0.50 0.00 0.00 46.19 43.85 1ulp s LEU 32 CO -0.11 -0.82 -0.04 0.00 -1.32 0.00 0.00 176.35 174.06 1ulp s VAL 34 N 1.04 4.84 -0.82 0.00 -7.23 -0.83 -2.59 120.40 114.80 1ulp s VAL 34 Ca -0.02 0.83 -0.16 0.00 -1.81 0.00 0.00 61.98 60.82 1ulp s VAL 34 Cb -0.20 -3.73 0.17 0.00 0.56 0.00 0.00 36.38 33.18 1ulp s VAL 34 CO -0.06 0.20 0.88 0.00 -0.31 0.00 0.00 175.10 175.81 1ulp s ALA 35 N -1.52 3.72 0.11 1.32 0.00 -1.26 -2.94 121.76 121.18 1ulp s ALA 35 Ca 0.40 -2.95 -0.31 0.00 0.00 0.00 0.00 51.96 49.10 1ulp s ALA 35 Cb -0.15 -3.70 -0.07 0.00 0.00 0.00 0.00 23.12 19.20 1ulp s ALA 35 CO 0.19 -2.53 1.29 0.08 0.00 0.00 0.00 175.76 174.79 1ulp s VAL 36 N 1.45 3.62 0.64 0.00 1.01 -0.07 -3.07 120.40 123.98 1ulp s VAL 36 Ca 0.22 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.24 1ulp s VAL 36 Cb -0.11 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1ulp s VAL 36 CO -0.07 0.11 1.09 -2.16 0.00 0.00 0.00 175.10 174.07 1ulp s PRO 37 N 0.86 2.95 -0.45 2.72 0.04 -1.26 -2.55 135.00 137.31 1ulp s PRO 37 Ca 0.60 1.32 -0.42 0.00 0.04 0.00 0.00 61.00 62.55 1ulp s PRO 37 Cb -0.33 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.06 1ulp s PRO 37 CO 0.31 -1.12 2.10 0.00 0.04 0.00 0.00 177.00 178.33 1ulp n ALA 38 N -2.33 0.31 -2.16 8.56 0.00 -1.26 -3.82 120.51 119.81 1ulp n ALA 38 Ca 0.10 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1ulp n ALA 38 Cb 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 6.89 -5.22 2.20 0.00 0.00 0.70 -4.65 105.19 105.12 1ulp n GLY 39 Ca 0.49 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 1.94 5.89 -4.47 1.61 7.64 -1.25 -4.86 113.62 120.12 1ulp n SER 40 Ca 0.00 -2.85 -0.43 0.00 1.01 0.00 0.00 58.87 56.60 1ulp n SER 40 Cb 0.00 -1.30 -0.05 0.00 -1.01 0.00 0.00 64.21 61.85 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ulp s ALA 41 N -0.47 3.24 0.00 -0.43 0.00 -1.26 -0.08 121.76 122.75 1ulp s ALA 41 Ca 0.58 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ulp s ALA 41 Cb 0.33 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1ulp s ALA 41 CO -0.11 -2.36 0.00 0.00 0.00 0.00 0.00 175.76 173.29 1ulp n GLN 42 N 7.05 0.00 -0.25 0.00 10.64 -1.26 -4.91 117.38 128.66 1ulp n GLN 42 Ca -0.03 0.00 0.31 0.00 -1.83 0.00 0.00 57.00 55.45 1ulp n GLN 42 Cb 0.46 0.00 0.58 0.00 -0.86 0.00 0.00 30.24 30.42 1ulp n GLN 42 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.06 175.33 1ulp h TYR 43 N 0.00 0.00 0.00 2.61 -0.00 -2.01 -3.45 116.97 114.12 1ulp h TYR 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ulp h TYR 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1ulp h TYR 43 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.57 1ulp n GLY 44 N -1.71 2.55 3.98 0.10 0.00 -1.26 -5.02 105.19 103.82 1ulp n GLY 44 Ca 0.24 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1ulp n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 45 N 0.00 2.10 -2.65 1.61 1.01 -1.14 -4.74 120.40 116.60 1ulp s VAL 45 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ulp s VAL 45 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1ulp s VAL 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 46 N -3.00 -1.87 3.23 4.51 0.00 -0.86 -0.51 105.19 106.70 1ulp n GLY 46 Ca 0.15 -1.14 -0.10 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 -2.27 -0.21 -0.07 1.61 1.01 0.29 -1.42 120.40 119.34 1ulp s VAL 47 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1ulp s VAL 47 Cb 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1ulp s VAL 47 CO 0.00 0.05 -0.24 0.68 0.00 0.00 0.00 175.10 175.59 1ulp s VAL 48 N 1.76 2.09 -0.48 2.92 -7.23 0.46 -1.96 120.40 117.95 1ulp s VAL 48 Ca -0.07 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.09 1ulp s VAL 48 Cb -0.10 -1.77 0.13 0.00 0.56 0.00 0.00 36.38 35.21 1ulp s VAL 48 CO -0.12 0.57 0.24 -0.22 -0.31 0.00 0.00 175.10 175.26 1ulp s LEU 49 N -0.01 3.83 -0.31 1.32 2.96 -1.18 -1.97 118.68 123.32 1ulp s LEU 49 Ca -0.08 -2.84 -0.29 0.00 -0.22 0.00 0.00 54.13 50.70 1ulp s LEU 49 Cb -0.15 -1.45 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 1ulp s LEU 49 CO 0.05 -0.25 1.44 0.54 -1.32 0.00 0.00 176.35 176.81 1ulp s ASN 50 N -0.02 6.47 0.00 3.68 2.20 -1.26 -2.45 114.94 123.56 1ulp s ASN 50 Ca 0.17 1.23 0.00 0.00 -0.94 0.00 0.00 52.86 53.32 1ulp s ASN 50 Cb -0.25 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.46 1ulp s ASN 50 CO -0.01 -1.25 0.00 0.61 -2.94 0.00 0.00 177.10 173.52 1ulp n GLY 51 N 4.65 -1.29 3.67 0.45 0.00 -1.08 -4.91 105.19 106.69 1ulp n GLY 51 Ca 0.17 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 1.69 -0.31 1.61 1.01 -0.75 -3.63 120.40 120.02 1ulp s VAL 52 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 59.97 1ulp s VAL 52 Cb 0.00 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.81 1ulp s VAL 52 CO 0.00 0.00 0.23 0.00 0.00 0.00 0.00 175.10 175.33 1ulp s ALA 53 N -2.77 0.16 0.07 5.51 0.00 -0.93 -2.50 121.76 121.29 1ulp s ALA 53 Ca 0.24 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1ulp s ALA 53 Cb 0.07 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1ulp s ALA 53 CO 0.12 -1.78 -0.05 0.42 0.00 0.00 0.00 175.76 174.47 1ulp s ILE 54 N 2.00 0.47 -0.11 0.00 -1.09 -1.08 -4.80 121.20 116.58 1ulp s ILE 54 Ca 0.11 -1.87 -0.08 0.00 -2.23 0.00 0.00 60.65 56.58 1ulp s ILE 54 Cb -0.16 -1.59 0.04 0.00 -1.58 0.00 0.00 42.46 39.17 1ulp s ILE 54 CO -0.27 -0.93 0.28 -0.70 -1.23 0.00 0.00 174.94 172.09 1ulp s GLU 55 N -3.84 0.29 0.00 2.79 2.56 -1.21 -0.96 118.70 118.33 1ulp s GLU 55 Ca 0.09 0.49 0.00 0.00 0.00 0.00 0.00 54.97 55.55 1ulp s GLU 55 Cb 0.06 0.04 0.00 0.00 2.00 0.00 0.00 34.13 36.23 1ulp s GLU 55 CO -0.07 -0.10 0.00 -0.85 -0.56 0.00 0.00 175.26 173.68 1ulp n GLU 56 N 3.54 0.00 -2.71 4.30 0.28 0.37 -2.90 120.64 123.53 1ulp n GLU 56 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.38 1ulp n GLU 56 Cb 0.56 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.43 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 1.86 0.43 -1.84 0.00 -1.21 -2.22 107.32 104.34 1ulp s GLY 57 Ca 0.00 -2.99 0.07 0.00 0.00 0.00 0.00 44.72 41.80 1ulp s GLY 57 CO 0.00 2.49 0.33 -1.59 0.00 0.00 0.00 173.10 174.33 1ulp s THR 58 N 3.41 2.42 0.25 0.90 2.01 -0.38 -4.87 115.64 119.38 1ulp s THR 58 Ca 0.49 -1.46 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 1ulp s THR 58 Cb 0.01 -2.87 -0.07 0.00 0.01 0.00 0.00 72.50 69.57 1ulp s THR 58 CO 0.03 0.00 0.59 -0.89 -0.69 0.00 0.00 174.62 173.66 1ulp s THR 59 N -2.55 4.89 0.28 -0.82 2.01 -1.26 0.02 115.64 118.21 1ulp s THR 59 Ca 0.44 0.55 -0.15 0.00 0.31 0.00 0.00 61.69 62.84 1ulp s THR 59 Cb -0.01 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.89 1ulp s THR 59 CO 0.26 -0.11 0.58 -0.31 -0.69 0.00 0.00 174.62 174.35 1ulp s TYR 60 N -1.86 0.24 -0.14 4.92 2.02 -0.62 -3.52 117.35 118.39 1ulp s TYR 60 Ca 0.49 -0.66 -0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1ulp s TYR 60 Cb -0.11 0.38 0.06 0.00 -0.40 0.00 0.00 41.96 41.90 1ulp s TYR 60 CO 0.21 -1.14 0.15 0.99 -1.57 0.00 0.00 175.55 174.19 1ulp s THR 61 N -3.71 -0.22 -0.24 -0.71 2.01 -1.24 -1.95 115.64 109.58 1ulp s THR 61 Ca 0.19 0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 1ulp s THR 61 Cb -0.03 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1ulp s THR 61 CO 0.10 -0.06 0.62 -0.22 -0.69 0.00 0.00 174.62 174.37 1ulp s LEU 62 N 2.25 4.09 -0.07 4.42 2.96 -0.62 -3.85 118.68 127.85 1ulp s LEU 62 Ca 0.04 0.74 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 1ulp s LEU 62 Cb -0.14 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.71 1ulp s LEU 62 CO -0.08 -0.33 -0.11 -0.60 -1.32 0.00 0.00 176.35 173.91 1ulp s ARG 63 N 2.29 1.60 -0.12 1.98 3.52 -1.15 -2.76 118.95 124.32 1ulp s ARG 63 Ca 0.27 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 1ulp s ARG 63 Cb -0.16 -1.41 0.10 0.00 -1.56 0.00 0.00 34.95 31.93 1ulp s ARG 63 CO 0.09 -0.04 0.87 1.52 -0.81 0.00 0.00 175.30 176.92 1ulp s TYR 64 N 0.91 -0.49 -0.42 5.12 -0.85 -1.00 -2.24 117.35 118.37 1ulp s TYR 64 Ca -0.10 0.86 0.03 0.00 -0.52 0.00 0.00 57.07 57.35 1ulp s TYR 64 Cb -0.15 0.43 0.11 0.00 0.38 0.00 0.00 41.96 42.73 1ulp s TYR 64 CO 0.01 -0.45 0.15 0.99 -1.52 0.00 0.00 175.55 174.74 1ulp s THR 65 N -1.08 2.50 0.21 -3.49 2.01 -1.26 0.13 115.64 114.65 1ulp s THR 65 Ca -0.05 -2.75 -0.05 0.00 0.31 0.00 0.00 61.69 59.15 1ulp s THR 65 Cb -0.00 -2.78 -0.06 0.00 0.01 0.00 0.00 72.50 69.67 1ulp s THR 65 CO 0.05 -0.69 0.46 0.00 -0.69 0.00 0.00 174.62 173.74 1ulp s ALA 66 N 0.40 3.71 -0.16 7.40 0.00 -0.82 -3.43 121.76 128.85 1ulp s ALA 66 Ca 0.13 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1ulp s ALA 66 Cb -0.22 -2.21 0.08 0.00 0.00 0.00 0.00 23.12 20.76 1ulp s ALA 66 CO -0.04 0.49 0.35 0.99 0.00 0.00 0.00 175.76 177.54 1ulp s THR 67 N -1.84 -0.48 -0.11 0.00 2.01 -0.71 -2.50 115.64 112.01 1ulp s THR 67 Ca 0.43 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1ulp s THR 67 Cb -0.11 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1ulp s THR 67 CO 0.26 0.09 -0.15 0.00 -0.69 0.00 0.00 174.62 174.13 1ulp s ALA 68 N 2.39 2.57 0.62 7.40 0.00 -1.24 -0.97 121.76 132.52 1ulp s ALA 68 Ca -0.01 -0.92 0.25 0.00 0.00 0.00 0.00 51.96 51.28 1ulp s ALA 68 Cb -0.12 -1.11 1.19 0.00 0.00 0.00 0.00 23.12 23.09 1ulp s ALA 68 CO -0.11 0.32 1.64 0.66 0.00 0.00 0.00 175.76 178.26 1ulp h SER 69 N 6.43 0.00 -1.57 0.00 4.64 -1.72 -3.07 113.55 118.26 1ulp h SER 69 Ca -0.29 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.46 1ulp h SER 69 Cb 1.20 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 1ulp h SER 69 CO 0.53 0.00 -0.49 0.28 -0.87 0.00 0.00 176.83 176.28 1ulp s THR 70 N -4.41 2.29 -1.37 2.95 -1.32 -1.07 -4.55 115.64 108.16 1ulp s THR 70 Ca -0.03 -1.69 -0.09 0.00 -1.21 0.00 0.00 61.69 58.66 1ulp s THR 70 Cb 0.12 -2.98 0.10 0.00 -1.51 0.00 0.00 72.50 68.23 1ulp s THR 70 CO 0.42 0.00 2.22 -0.67 -2.21 0.00 0.00 174.62 174.38 1ulp n ASP 71 N -1.25 6.16 -4.77 8.08 2.03 -1.24 -2.93 116.55 122.64 1ulp n ASP 71 Ca -0.01 -3.00 -0.39 0.00 0.52 0.00 0.00 54.79 51.90 1ulp n ASP 71 Cb 0.65 -1.49 -0.06 0.00 -0.72 0.00 0.00 41.12 39.50 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 0.69 4.60 -0.56 5.18 0.11 -1.25 -4.78 120.40 124.40 1ulp s VAL 72 Ca 0.49 1.59 0.04 0.00 -2.93 0.00 0.00 61.98 61.17 1ulp s VAL 72 Cb 0.14 -4.09 0.15 0.00 -1.53 0.00 0.00 36.38 31.05 1ulp s VAL 72 CO -0.05 0.45 0.34 -0.89 -3.33 0.00 0.00 175.10 171.62 1ulp s THR 73 N -0.60 2.36 0.00 5.04 2.01 -1.26 -1.39 115.64 121.81 1ulp s THR 73 Ca 0.36 -3.49 0.00 0.00 0.31 0.00 0.00 61.69 58.87 1ulp s THR 73 Cb -0.21 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.69 1ulp s THR 73 CO 0.23 -0.91 0.00 1.33 -0.69 0.00 0.00 174.62 174.58 1ulp n VAL 74 N 2.77 0.00 -4.82 3.82 0.24 -1.13 -4.89 118.33 114.32 1ulp n VAL 74 Ca 0.12 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.16 1ulp n VAL 74 Cb 0.34 -0.50 -0.16 0.00 -1.47 0.00 0.00 33.84 32.05 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 1.71 1.93 0.06 7.34 0.52 -1.18 -3.26 118.95 126.07 1ulp s ARG 75 Ca 0.00 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.63 1ulp s ARG 75 Cb 0.00 -1.61 -0.03 0.00 0.52 0.00 0.00 34.95 33.83 1ulp s ARG 75 CO 0.00 0.18 -0.06 0.00 0.02 0.00 0.00 175.30 175.44 1ulp s ALA 76 N 0.25 0.64 0.00 2.13 0.00 -0.62 -2.14 121.76 122.02 1ulp s ALA 76 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1ulp s ALA 76 Cb -0.14 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1ulp s ALA 76 CO 0.03 -0.19 0.00 1.47 0.00 0.00 0.00 175.76 177.07 1ulp n LEU 77 N 0.65 0.00 -3.89 0.00 -0.00 -0.87 -2.98 117.00 109.91 1ulp n LEU 77 Ca -0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.74 1ulp n LEU 77 Cb 0.58 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.95 1ulp n LEU 77 CO 0.26 0.00 0.14 -0.69 -0.00 0.00 0.00 177.39 177.10 1ulp s VAL 78 N -4.00 0.03 0.05 1.47 1.01 -1.26 -1.72 120.40 115.99 1ulp s VAL 78 Ca 0.00 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 1ulp s VAL 78 Cb 0.00 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1ulp s VAL 78 CO 0.00 -0.15 0.52 0.61 0.00 0.00 0.00 175.10 176.08 1ulp n GLY 79 N -0.31 0.78 3.53 4.51 0.00 -1.17 -3.22 105.19 109.32 1ulp n GLY 79 Ca -0.07 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1ulp n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ulp s GLN 80 N -2.02 1.95 -0.67 1.61 -2.07 -1.23 -1.90 119.66 115.34 1ulp s GLN 80 Ca 0.12 -1.14 -0.09 0.00 -1.82 0.00 0.00 55.36 52.43 1ulp s GLN 80 Cb -0.01 -2.19 0.17 0.00 -1.09 0.00 0.00 33.01 29.90 1ulp s GLN 80 CO 0.01 0.48 0.55 -0.80 -1.32 0.00 0.00 175.29 174.21 1ulp s ASN 81 N -2.29 5.93 0.00 12.60 -0.87 -0.43 -4.59 114.94 125.28 1ulp s ASN 81 Ca 0.20 -2.58 0.00 0.00 -1.57 0.00 0.00 52.86 48.91 1ulp s ASN 81 Cb -0.10 -2.03 0.00 0.00 -0.02 0.00 0.00 41.25 39.10 1ulp s ASN 81 CO 0.12 -0.52 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 1ulp n GLY 82 N 4.00 4.20 3.18 0.66 0.00 -1.26 -2.72 105.19 113.24 1ulp n GLY 82 Ca 0.06 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.03 -3.90 1.71 4.61 0.00 -1.26 -1.69 120.51 119.96 1ulp n ALA 83 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1ulp n ALA 83 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.48 0.94 -1.45 0.00 -0.04 -1.26 -4.49 135.00 130.18 1ulp n PRO 84 Ca 0.04 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.63 1ulp n PRO 84 Cb 0.52 -1.08 -0.07 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.41 -3.93 0.00 0.54 4.01 -0.68 -5.05 117.16 111.64 1ulp n TYR 85 Ca 0.00 2.16 0.00 0.00 -0.16 0.00 0.00 57.90 59.90 1ulp n TYR 85 Cb 0.04 -3.51 0.00 0.00 -0.31 0.00 0.00 39.34 35.56 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulp n GLY 86 N -3.92 1.06 3.90 2.72 0.00 -1.26 -4.99 105.19 102.70 1ulp n GLY 86 Ca -0.07 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 1ulp n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 87 N 0.00 4.94 -0.00 2.61 -4.23 -1.26 -3.47 115.64 114.22 1ulp s THR 87 Ca 0.00 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1ulp s THR 87 Cb 0.00 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.08 1ulp s THR 87 CO 0.00 -0.45 0.00 1.33 -0.54 0.00 0.00 174.62 174.96 1ulp n VAL 88 N -1.24 0.01 -4.13 2.29 0.24 -1.20 -4.88 118.33 109.43 1ulp n VAL 88 Ca -0.00 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.34 61.96 1ulp n VAL 88 Cb 0.54 -0.13 -0.07 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 -3.44 3.87 -0.46 1.34 1.02 -1.25 -4.88 118.68 114.88 1ulp s LEU 89 Ca -0.00 0.16 0.06 0.00 0.02 0.00 0.00 54.13 54.37 1ulp s LEU 89 Cb 0.00 -2.19 0.20 0.00 0.02 0.00 0.00 46.19 44.22 1ulp s LEU 89 CO 0.01 0.29 0.62 -0.67 0.02 0.00 0.00 176.35 176.62 1ulp n ASP 90 N 1.36 -1.92 -3.51 2.29 2.03 -1.26 -4.09 116.55 111.45 1ulp n ASP 90 Ca -0.14 -2.81 -0.15 0.00 0.52 0.00 0.00 54.79 52.21 1ulp n ASP 90 Cb 0.53 0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 41.59 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 0.27 0.00 -0.11 5.18 -4.23 -1.16 -5.08 115.64 110.51 1ulp s THR 91 Ca 0.32 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 1ulp s THR 91 Cb 0.09 -2.53 0.01 0.00 1.34 0.00 0.00 72.50 71.41 1ulp s THR 91 CO -0.14 0.00 -0.17 -0.44 -0.54 0.00 0.00 174.62 173.33 1ulp s SER 92 N -3.24 2.53 0.04 3.99 0.01 -1.26 -1.58 113.70 114.18 1ulp s SER 92 Ca 0.34 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 1ulp s SER 92 Cb 0.02 -1.14 -0.06 0.00 0.21 0.00 0.00 66.02 65.04 1ulp s SER 92 CO 0.20 0.04 1.32 -2.16 0.41 0.00 0.00 173.24 173.05 1ulp s PRO 93 N 0.89 4.34 -0.19 12.44 0.04 -1.20 -4.88 135.00 146.43 1ulp s PRO 93 Ca -0.08 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.80 1ulp s PRO 93 Cb -0.15 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1ulp s PRO 93 CO -0.00 -0.44 0.04 0.00 0.04 0.00 0.00 177.00 176.64 1ulp s ALA 94 N 1.70 3.28 0.52 8.56 0.00 -1.26 -2.86 121.76 131.70 1ulp s ALA 94 Ca 0.62 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.77 1ulp s ALA 94 Cb -0.31 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1ulp s ALA 94 CO 0.28 0.09 0.00 -0.51 0.00 0.00 0.00 175.76 175.62 1ulp s LEU 95 N 0.55 2.26 0.00 0.00 1.43 -0.49 -4.99 118.68 117.44 1ulp s LEU 95 Ca 0.02 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 1ulp s LEU 95 Cb -0.13 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.36 1ulp s LEU 95 CO 0.01 -0.88 0.00 1.07 0.23 0.00 0.00 176.35 176.78 1ulp n THR 96 N -1.29 0.00 0.00 5.49 5.66 -1.15 -3.78 114.28 119.21 1ulp n THR 96 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1ulp n THR 96 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 -1.05 0.00 -3.92 1.09 2.88 -1.16 -2.61 113.62 108.85 1ulp n SER 97 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1ulp n SER 97 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 1ulp n SER 97 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ulp n GLU 98 N -1.27 -0.18 -2.29 -1.46 4.71 -1.26 -4.76 120.64 114.14 1ulp n GLU 98 Ca 0.00 -2.05 -0.42 0.00 -0.01 0.00 0.00 57.16 54.68 1ulp n GLU 98 Cb 0.00 -0.64 -0.03 0.00 -1.01 0.00 0.00 31.44 29.76 1ulp n GLU 98 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1ulp s PRO 99 N -4.70 4.35 -0.49 3.49 0.04 -1.26 -4.64 135.00 131.79 1ulp s PRO 99 Ca 0.54 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.54 1ulp s PRO 99 Cb -0.03 -3.37 0.13 0.00 0.04 0.00 0.00 34.50 31.26 1ulp s PRO 99 CO 0.36 -0.41 0.23 0.50 0.04 0.00 0.00 177.00 177.72 1ulp s ARG 100 N 1.45 1.90 0.74 4.56 3.52 -1.04 -5.01 118.95 125.07 1ulp s ARG 100 Ca 0.62 -2.47 -0.11 0.00 -0.13 0.00 0.00 55.73 53.63 1ulp s ARG 100 Cb -0.32 -3.32 0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1ulp s ARG 100 CO 0.29 -1.08 1.09 1.14 -0.81 0.00 0.00 175.30 175.93 1ulp s GLN 101 N -0.05 2.42 -0.01 5.12 -2.07 -1.26 -1.95 119.66 121.86 1ulp s GLN 101 Ca 0.16 1.19 0.02 0.00 -1.82 0.00 0.00 55.36 54.91 1ulp s GLN 101 Cb -0.24 -1.91 -0.00 0.00 -1.09 0.00 0.00 33.01 29.76 1ulp s GLN 101 CO -0.02 -1.52 -0.06 0.08 -1.32 0.00 0.00 175.29 172.45 1ulp s VAL 102 N -2.81 0.50 -0.19 3.63 1.01 0.34 -4.86 120.40 118.02 1ulp s VAL 102 Ca 0.62 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 1ulp s VAL 102 Cb -0.17 -0.43 0.09 0.00 0.00 0.00 0.00 36.38 35.87 1ulp s VAL 102 CO 0.53 0.15 0.36 -0.89 0.00 0.00 0.00 175.10 175.24 1ulp s THR 103 N -0.08 -0.56 -0.21 3.92 2.01 -1.25 -2.37 115.64 117.09 1ulp s THR 103 Ca 0.02 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.99 1ulp s THR 103 Cb -0.03 -0.64 0.06 0.00 0.01 0.00 0.00 72.50 71.90 1ulp s THR 103 CO -0.00 0.02 0.54 -1.61 -0.69 0.00 0.00 174.62 172.88 1ulp s GLU 104 N 2.53 0.59 -0.28 4.92 0.41 -1.11 -5.01 118.70 120.75 1ulp s GLU 104 Ca 0.03 0.88 -0.10 0.00 -0.41 0.00 0.00 54.97 55.37 1ulp s GLU 104 Cb -0.13 0.18 -0.04 0.00 -1.78 0.00 0.00 34.13 32.36 1ulp s GLU 104 CO -0.12 -0.12 0.16 0.99 -0.49 0.00 0.00 175.26 175.68 1ulp s THR 105 N 0.92 4.95 0.19 3.63 2.01 -1.26 -1.59 115.64 124.49 1ulp s THR 105 Ca -0.05 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.02 1ulp s THR 105 Cb -0.05 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1ulp s THR 105 CO -0.08 0.24 -0.16 0.72 -0.69 0.00 0.00 174.62 174.65 1ulp s PHE 106 N 1.70 1.75 -0.68 4.92 -0.71 -0.82 -4.94 117.98 119.20 1ulp s PHE 106 Ca 0.07 -0.52 -0.21 0.00 -1.04 0.00 0.00 56.93 55.22 1ulp s PHE 106 Cb -0.16 -0.84 0.09 0.00 -1.21 0.00 0.00 43.02 40.90 1ulp s PHE 106 CO 0.08 0.35 0.92 0.99 -1.34 0.00 0.00 175.22 176.23 1ulp s THR 107 N -2.56 4.50 -0.29 -4.49 2.01 -1.26 -1.59 115.64 111.96 1ulp s THR 107 Ca 0.19 -0.69 -0.28 0.00 0.31 0.00 0.00 61.69 61.22 1ulp s THR 107 Cb -0.03 -4.65 -0.06 0.00 0.01 0.00 0.00 72.50 67.77 1ulp s THR 107 CO 0.07 -1.39 2.27 0.00 -0.69 0.00 0.00 174.62 174.88 1ulp n ALA 108 N 7.20 1.53 -1.94 7.40 0.00 0.10 -4.73 120.51 130.07 1ulp n ALA 108 Ca -0.01 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.67 1ulp n ALA 108 Cb 0.45 -2.96 -0.01 0.00 0.00 0.00 0.00 19.45 16.93 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 12.56 7.28 0.00 0.00 3.41 -1.26 -1.25 113.62 134.37 1ulp n SER 109 Ca 0.32 -3.45 0.00 0.00 -0.26 0.00 0.00 58.87 55.49 1ulp n SER 109 Cb 0.45 -1.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 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 0.52 0.00 -3.38 7.33 0.00 -0.94 -4.77 120.51 119.26 1ulp n ALA 110 Ca 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.89 1ulp n ALA 110 Cb 0.34 0.00 -0.08 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 -1.47 -0.63 -0.84 0.00 2.01 -1.26 0.14 115.64 113.59 1ulp s THR 111 Ca 0.00 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 61.99 1ulp s THR 111 Cb 0.00 -0.80 0.28 0.00 0.01 0.00 0.00 72.50 71.99 1ulp s THR 111 CO 0.00 -0.09 1.09 -1.22 -0.69 0.00 0.00 174.62 173.72 1ulp n TYR 112 N 5.37 3.03 -2.21 4.92 4.01 -0.13 -4.50 117.16 127.65 1ulp n TYR 112 Ca -0.04 -3.44 -0.43 0.00 -0.16 0.00 0.00 57.90 53.83 1ulp n TYR 112 Cb 0.50 -0.87 -0.02 0.00 -0.31 0.00 0.00 39.34 38.64 1ulp n TYR 112 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ulp s PRO 113 N -2.68 4.00 0.23 -0.72 0.04 -1.25 -2.20 135.00 132.41 1ulp s PRO 113 Ca 0.36 1.71 0.16 0.00 0.04 0.00 0.00 61.00 63.27 1ulp s PRO 113 Cb 0.11 -3.94 0.84 0.00 0.04 0.00 0.00 34.50 31.55 1ulp s PRO 113 CO 0.04 -1.04 1.48 0.00 0.04 0.00 0.00 177.00 177.52 1ulp n ALA 114 N 7.61 1.05 -2.82 8.56 0.00 -1.04 -4.00 120.51 129.87 1ulp n ALA 114 Ca 0.17 0.14 -0.44 0.00 0.00 0.00 0.00 53.44 53.31 1ulp n ALA 114 Cb 0.45 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1ulp n ALA 114 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ulp s THR 115 N -3.39 5.04 -0.30 0.00 -1.32 -1.26 -4.98 115.64 109.43 1ulp s THR 115 Ca -0.01 -0.77 -0.29 0.00 -1.21 0.00 0.00 61.69 59.40 1ulp s THR 115 Cb 0.05 -4.22 -0.01 0.00 -1.51 0.00 0.00 72.50 66.81 1ulp s THR 115 CO 0.15 -0.71 1.45 -2.16 -2.21 0.00 0.00 174.62 171.14 1ulp s PRO 116 N 2.17 3.77 -0.40 7.08 0.04 -1.26 -4.80 135.00 141.60 1ulp s PRO 116 Ca 0.10 1.32 0.06 0.00 0.04 0.00 0.00 61.00 62.51 1ulp s PRO 116 Cb -0.22 -3.98 0.43 0.00 0.04 0.00 0.00 34.50 30.78 1ulp s PRO 116 CO 0.09 -1.31 1.13 0.00 0.04 0.00 0.00 177.00 176.95 1ulp n ALA 117 N 8.29 5.02 -0.79 8.56 0.00 -1.01 -4.98 120.51 135.59 1ulp n ALA 117 Ca 0.17 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1ulp n ALA 117 Cb 0.46 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1ulp n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp n ALA 118 N -0.53 0.00 0.15 0.00 0.00 -1.26 -2.09 120.51 116.78 1ulp n ALA 118 Ca 0.40 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.89 1ulp n ALA 118 Cb 0.74 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.47 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 2.41 0.24 -4.23 0.00 5.68 -1.26 -4.19 116.55 115.21 1ulp n ASP 119 Ca 0.00 0.60 -0.39 0.00 -0.50 0.00 0.00 54.79 54.50 1ulp n ASP 119 Cb 0.00 -0.64 -0.11 0.00 -1.14 0.00 0.00 41.12 39.24 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 -3.45 5.49 0.43 -1.12 1.01 -0.89 -4.97 116.67 113.18 1ulp s ASP 120 Ca 0.01 -1.62 -0.23 0.00 0.71 0.00 0.00 52.55 51.42 1ulp s ASP 120 Cb 0.04 -1.93 -0.08 0.00 1.01 0.00 0.00 42.92 41.96 1ulp s ASP 120 CO 0.13 -0.52 1.08 -2.16 0.21 0.00 0.00 175.17 173.91 1ulp s PRO 121 N 1.35 3.97 0.00 8.23 0.04 -1.26 -2.41 135.00 144.92 1ulp s PRO 121 Ca 0.03 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ulp s PRO 121 Cb -0.23 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1ulp s PRO 121 CO 0.00 -0.32 0.00 -0.85 0.04 0.00 0.00 177.00 175.87 1ulp n GLU 122 N -0.35 3.34 -3.52 4.56 0.28 -1.10 -3.84 120.64 120.00 1ulp n GLU 122 Ca 0.06 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 1ulp n GLU 122 Cb 0.50 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.33 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 123 N 0.00 -0.43 0.00 -1.84 0.00 -1.26 -1.32 107.32 102.47 1ulp s GLY 123 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.00 1ulp s GLY 123 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.28 1ulp n GLN 124 N 0.12 0.00 -4.37 2.90 10.64 -0.80 -1.82 117.38 124.06 1ulp n GLN 124 Ca -0.11 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.77 1ulp n GLN 124 Cb 0.60 0.00 -0.12 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 2.49 -0.09 -0.39 1.01 -1.02 -3.06 121.20 118.07 1ulp s ILE 125 Ca 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 60.65 59.02 1ulp s ILE 125 Cb 0.00 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1ulp s ILE 125 CO 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 174.94 174.89 1ulp s ALA 126 N -1.09 2.57 -0.43 9.38 0.00 -0.70 -3.12 121.76 128.37 1ulp s ALA 126 Ca 0.16 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.24 1ulp s ALA 126 Cb -0.10 -1.06 0.22 0.00 0.00 0.00 0.00 23.12 22.18 1ulp s ALA 126 CO 0.08 0.37 0.58 1.19 0.00 0.00 0.00 175.76 177.98 1ulp n PHE 127 N 3.05 -1.60 -3.06 0.00 3.01 -0.83 -2.06 117.46 115.98 1ulp n PHE 127 Ca -0.18 -2.83 -0.40 0.00 1.01 0.00 0.00 57.45 55.05 1ulp n PHE 127 Cb 0.52 0.45 -0.05 0.00 -0.01 0.00 0.00 39.48 40.40 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 -0.20 4.29 -0.63 -1.08 -0.21 -0.91 0.11 119.66 121.03 1ulp s GLN 128 Ca 0.33 0.77 0.03 0.00 0.02 0.00 0.00 55.36 56.51 1ulp s GLN 128 Cb 0.13 -3.54 0.37 0.00 1.00 0.00 0.00 33.01 30.97 1ulp s GLN 128 CO -0.15 -0.17 1.31 1.28 -2.12 0.00 0.00 175.29 175.44 1ulp n LEU 129 N 4.71 5.48 -4.27 2.90 4.77 0.33 -3.10 117.00 127.82 1ulp n LEU 129 Ca -0.00 -5.32 -0.40 0.00 -0.03 0.00 0.00 56.01 50.25 1ulp n LEU 129 Cb 0.50 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1ulp n LEU 129 CO 0.46 2.17 -0.09 -0.83 -1.33 0.00 0.00 177.39 177.76 1ulp s GLY 130 N -2.81 1.98 -0.08 -0.72 0.00 -1.15 -2.86 107.32 101.67 1ulp s GLY 130 Ca 0.48 -2.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 1ulp s GLY 130 CO -0.21 0.99 0.09 0.61 0.00 0.00 0.00 173.10 174.58 1ulp n GLY 131 N 4.92 -0.59 1.65 0.20 0.00 0.88 -4.82 105.19 107.43 1ulp n GLY 131 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.82 -0.40 -3.00 1.61 3.72 -1.26 -5.01 117.46 112.29 1ulp n PHE 132 Ca 0.01 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1ulp n PHE 132 Cb 0.31 0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 39.23 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 -2.59 6.41 0.00 4.37 0.15 -1.26 -4.76 113.70 116.02 1ulp s SER 133 Ca 0.00 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1ulp s SER 133 Cb 0.00 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1ulp s SER 133 CO 0.00 -0.37 0.00 0.00 1.20 0.00 0.00 173.24 174.07 1ulp n ALA 134 N -1.46 0.00 -0.87 5.45 0.00 -1.26 -4.03 120.51 118.35 1ulp n ALA 134 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ulp n ALA 134 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ulp n ASP 135 N 0.00 -1.73 -4.75 0.00 8.00 -1.26 0.25 116.55 117.05 1ulp n ASP 135 Ca 0.00 -0.13 -0.40 0.00 0.71 0.00 0.00 54.79 54.97 1ulp n ASP 135 Cb 0.00 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 40.86 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ulp s ALA 136 N -2.02 3.38 0.00 2.24 0.00 -1.26 -1.73 121.76 122.36 1ulp s ALA 136 Ca 0.10 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1ulp s ALA 136 Cb -0.02 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1ulp s ALA 136 CO 0.08 -0.03 0.00 -2.67 0.00 0.00 0.00 175.76 173.14 1ulp n TRP 137 N 1.45 -0.18 -3.85 0.00 2.14 -1.06 -4.88 117.44 111.07 1ulp n TRP 137 Ca -0.01 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.49 1ulp n TRP 137 Cb 0.46 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.94 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 -2.03 0.00 -0.08 -1.67 2.01 -1.26 -0.89 115.64 111.71 1ulp s THR 138 Ca 0.00 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1ulp s THR 138 Cb 0.00 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.48 1ulp s THR 138 CO 0.00 0.00 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.07 1ulp s LEU 139 N -2.93 1.46 -0.31 4.42 1.02 -1.15 -3.73 118.68 117.46 1ulp s LEU 139 Ca 0.11 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 54.00 1ulp s LEU 139 Cb -0.06 -0.81 0.09 0.00 0.02 0.00 0.00 46.19 45.43 1ulp s LEU 139 CO 0.07 -0.03 0.02 0.00 0.02 0.00 0.00 176.35 176.43 1ulp n LEU 141 N 4.39 0.00 0.00 0.00 4.77 -0.61 -1.74 117.00 123.81 1ulp n LEU 141 Ca -0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 1ulp n LEU 141 Cb 0.42 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1ulp n LEU 141 CO 0.20 -0.82 0.00 -0.90 -1.33 0.00 0.00 177.39 174.55 1ulp n ASP 142 N -2.75 0.00 0.00 -1.43 5.68 -1.22 -2.50 116.55 114.33 1ulp n ASP 142 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1ulp n ASP 142 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 -4.54 -1.12 8.00 -1.00 -4.23 116.55 113.66 1ulp n ASP 143 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1ulp n ASP 143 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 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 5.09 0.15 2.53 1.01 -0.39 -2.75 120.40 126.03 1ulp s VAL 144 Ca 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1ulp s VAL 144 Cb 0.00 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1ulp s VAL 144 CO 0.00 -0.20 0.23 0.00 0.00 0.00 0.00 175.10 175.13 1ulp s ALA 145 N 2.19 0.14 -0.01 5.51 0.00 -0.95 -3.08 121.76 125.56 1ulp s ALA 145 Ca 0.15 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 1ulp s ALA 145 Cb -0.16 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1ulp s ALA 145 CO 0.13 -0.60 0.16 -1.17 0.00 0.00 0.00 175.76 174.27 1ulp s LEU 146 N -2.97 1.45 0.00 0.00 2.96 -1.26 -2.91 118.68 115.95 1ulp s LEU 146 Ca 0.17 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1ulp s LEU 146 Cb 0.04 0.72 -0.01 0.00 0.50 0.00 0.00 46.19 47.44 1ulp s LEU 146 CO -0.01 -0.32 0.08 0.47 -1.32 0.00 0.00 176.35 175.25 1ulp n ASP 147 N 1.70 0.54 -3.62 3.68 8.00 -1.25 -4.91 116.55 120.69 1ulp n ASP 147 Ca -0.21 -1.90 -0.29 0.00 0.71 0.00 0.00 54.79 53.10 1ulp n ASP 147 Cb 0.56 0.53 -0.15 0.00 -0.02 0.00 0.00 41.12 42.03 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ulp s SER 148 N -2.01 3.40 -0.96 -2.24 1.04 -1.26 -3.59 113.70 108.08 1ulp s SER 148 Ca 0.12 -1.21 -0.11 0.00 0.48 0.00 0.00 55.95 55.23 1ulp s SER 148 Cb 0.01 -0.48 -0.00 0.00 0.10 0.00 0.00 66.02 65.64 1ulp s SER 148 CO 0.08 -0.40 0.71 1.21 0.98 0.00 0.00 173.24 175.82 1ulp n GLU 149 N 5.14 -1.28 -2.71 4.02 2.13 -1.23 -4.93 120.64 121.78 1ulp n GLU 149 Ca -0.06 0.76 -0.07 0.00 0.66 0.00 0.00 57.16 58.45 1ulp n GLU 149 Cb 0.44 -3.88 0.11 0.00 0.27 0.00 0.00 31.44 28.37 1ulp n GLU 149 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1ulp n VAL 150 N -3.22 0.00 -0.52 6.31 3.14 -1.26 -5.12 118.33 117.65 1ulp n VAL 150 Ca -0.14 -1.47 -0.28 0.00 -2.96 0.00 0.00 64.34 59.49 1ulp n VAL 150 Cb 0.60 1.11 0.21 0.00 -1.06 0.00 0.00 33.84 34.70 1ulp n VAL 150 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1ulp n GLU 151 N -0.35 -2.55 0.00 1.45 0.28 -1.26 -5.08 120.64 113.14 1ulp n GLU 151 Ca -0.01 -0.74 0.08 0.00 -0.16 0.00 0.00 57.16 56.33 1ulp n GLU 151 Cb 0.81 -1.79 0.47 0.00 1.43 0.00 0.00 31.44 32.36 1ulp n GLU 151 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86