#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp n SER 2 N 0.00 0.00 -3.20 0.00 2.88 -1.26 -5.17 113.62 106.87 1ulp n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ulp n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ulp n SER 2 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ulp n PRO 3 N 0.00 1.70 -0.01 -1.46 -0.04 -1.26 -4.99 135.00 128.93 1ulp n PRO 3 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1ulp n PRO 3 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 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 1.65 0.00 0.52 -5.35 -1.26 -5.02 119.36 109.77 1ulp n ILE 4 Ca 0.00 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 1ulp n ILE 4 Cb 0.00 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 36.69 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 1.66 2.45 0.93 3.28 0.00 -1.26 -4.94 105.19 107.31 1ulp n GLY 5 Ca -0.21 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.49 1ulp n GLY 5 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ulp n GLU 6 N -0.54 2.24 0.00 1.61 0.28 -1.26 -4.37 120.64 118.59 1ulp n GLU 6 Ca 0.00 -1.01 0.00 0.00 -0.16 0.00 0.00 57.16 55.99 1ulp n GLU 6 Cb 0.00 -1.73 0.00 0.00 1.43 0.00 0.00 31.44 31.14 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ulp n GLY 7 N 0.23 -1.31 3.87 -1.84 0.00 -1.24 -4.91 105.19 99.99 1ulp n GLY 7 Ca 0.09 0.49 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 1ulp n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 8 N 0.00 4.98 0.34 2.61 -4.23 -1.25 0.23 115.64 118.32 1ulp s THR 8 Ca 0.00 0.52 0.13 0.00 -1.18 0.00 0.00 61.69 61.16 1ulp s THR 8 Cb 0.00 -3.66 0.33 0.00 1.34 0.00 0.00 72.50 70.51 1ulp s THR 8 CO 0.00 0.12 1.65 -0.26 -0.54 0.00 0.00 174.62 175.59 1ulp h PHE 9 N 3.16 0.81 -5.56 3.99 0.04 -1.72 -3.43 116.94 114.24 1ulp h PHE 9 Ca -0.48 0.04 -0.35 0.00 2.80 0.00 0.00 57.97 59.98 1ulp h PHE 9 Cb 1.18 -0.20 -0.20 0.00 2.20 0.00 0.00 35.95 38.94 1ulp h PHE 9 CO 0.64 -0.23 -0.52 -3.47 -0.60 0.00 0.00 178.31 174.13 1ulp n ASP 10 N -5.12 -0.67 0.00 2.17 2.03 -1.24 -4.56 116.55 109.16 1ulp n ASP 10 Ca 0.31 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1ulp n ASP 10 Cb 0.98 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ulp n ASP 11 N -1.14 0.00 -1.20 1.67 2.03 -1.26 -5.07 116.55 111.57 1ulp n ASP 11 Ca 0.01 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.47 1ulp n ASP 11 Cb 0.29 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.64 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 -1.84 0.00 0.27 0.00 -1.26 -3.83 105.19 98.53 1ulp n GLY 12 Ca 0.00 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.66 0.31 0.00 1.61 -0.04 -1.26 -4.82 135.00 127.14 1ulp n PRO 13 Ca -0.02 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1ulp n PRO 13 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.27 0.00 0.00 0.54 -0.58 -1.25 -1.69 120.64 116.39 1ulp n GLU 14 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1ulp n GLU 14 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.03 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 -1.38 3.57 0.62 0.00 -1.26 -4.99 105.19 101.75 1ulp n GLY 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ulp n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulp s TRP 16 N 0.00 2.04 0.43 1.61 0.52 -0.68 -4.21 118.94 118.65 1ulp s TRP 16 Ca 0.00 0.21 -0.21 0.00 0.02 0.00 0.00 56.10 56.12 1ulp s TRP 16 Cb 0.00 -4.12 -0.10 0.00 -1.15 0.00 0.00 33.47 28.10 1ulp s TRP 16 CO 0.00 -1.41 0.98 0.14 0.02 0.00 0.00 176.95 176.68 1ulp s VAL 17 N 9.82 4.19 -0.03 4.03 -7.23 -0.96 -4.87 120.40 125.36 1ulp s VAL 17 Ca 0.66 1.42 0.01 0.00 -1.81 0.00 0.00 61.98 62.26 1ulp s VAL 17 Cb -0.01 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.34 1ulp s VAL 17 CO 0.09 -0.25 -0.04 0.00 -0.31 0.00 0.00 175.10 174.59 1ulp s ALA 18 N -2.06 0.55 -0.20 1.32 0.00 -1.26 -0.75 121.76 119.35 1ulp s ALA 18 Ca 0.62 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1ulp s ALA 18 Cb -0.12 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1ulp s ALA 18 CO 0.16 0.02 -0.14 1.52 0.00 0.00 0.00 175.76 177.33 1ulp s TYR 19 N 0.62 2.70 0.00 0.00 1.13 -0.49 -4.36 117.35 116.95 1ulp s TYR 19 Ca -0.08 -1.76 0.07 0.00 -1.41 0.00 0.00 57.07 53.90 1ulp s TYR 19 Cb -0.11 -1.78 0.11 0.00 -1.10 0.00 0.00 41.96 39.08 1ulp s TYR 19 CO -0.00 -0.79 0.97 0.41 -2.51 0.00 0.00 175.55 173.62 1ulp n GLY 20 N 4.61 0.71 1.74 5.49 0.00 -1.26 -2.22 105.19 114.26 1ulp n GLY 20 Ca -0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 0.13 -0.05 -2.32 2.61 -2.24 -1.26 -4.40 114.28 106.74 1ulp n THR 21 Ca -0.12 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 1ulp n THR 21 Cb 0.79 -0.84 0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1ulp n THR 21 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ulp n ASP 22 N -0.17 4.00 0.00 3.42 9.92 -1.26 -4.93 116.55 127.53 1ulp n ASP 22 Ca -0.08 -3.35 0.00 0.00 -0.53 0.00 0.00 54.79 50.82 1ulp n ASP 22 Cb 0.31 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ulp n GLY 23 N -0.58 -1.42 3.76 0.44 0.00 -1.26 -4.43 105.19 101.70 1ulp n GLY 23 Ca 0.33 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 1ulp n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulp s PRO 24 N -3.79 4.52 0.83 1.61 0.04 -1.26 -4.57 135.00 132.37 1ulp s PRO 24 Ca 0.00 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 1ulp s PRO 24 Cb 0.00 -3.08 -0.12 0.00 0.04 0.00 0.00 34.50 31.33 1ulp s PRO 24 CO 0.00 0.09 -0.36 1.47 0.04 0.00 0.00 177.00 178.24 1ulp n LEU 25 N 0.96 -4.11 -3.86 -3.56 -0.00 -1.26 -4.93 117.00 100.25 1ulp n LEU 25 Ca -0.00 0.37 -0.11 0.00 -0.00 0.00 0.00 56.01 56.26 1ulp n LEU 25 Cb 0.45 -0.88 -0.10 0.00 -0.00 0.00 0.00 43.42 42.89 1ulp n LEU 25 CO 0.54 -5.16 -0.16 -0.62 -0.00 0.00 0.00 177.39 171.99 1ulp s ASP 26 N -1.15 -0.02 0.00 1.45 2.15 -1.06 -4.97 116.67 113.08 1ulp s ASP 26 Ca 0.49 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.35 1ulp s ASP 26 Cb -0.29 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.57 1ulp s ASP 26 CO 0.74 -0.34 0.00 0.35 -0.17 0.00 0.00 175.17 175.75 1ulp n THR 27 N 1.62 0.00 -3.64 1.71 -2.24 -1.26 -1.76 114.28 108.70 1ulp n THR 27 Ca -0.21 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1ulp n THR 27 Cb 0.56 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.88 -2.25 0.00 3.42 2.88 -1.26 -4.20 113.62 110.34 1ulp n SER 28 Ca 0.00 -0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.02 1ulp n SER 28 Cb 0.00 -1.94 0.00 0.00 -0.75 0.00 0.00 64.21 61.52 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ulp n THR 29 N -3.63 0.00 0.00 2.46 5.66 -1.26 -5.00 114.28 112.51 1ulp n THR 29 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1ulp n THR 29 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 -0.50 0.95 2.99 1.09 0.00 -1.26 -4.96 105.19 103.50 1ulp n GLY 30 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.63 1.01 -0.43 4.61 0.00 -1.26 -3.60 121.76 120.47 1ulp s ALA 31 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1ulp s ALA 31 Cb 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1ulp s ALA 31 CO 0.00 0.11 1.48 -1.17 0.00 0.00 0.00 175.76 176.18 1ulp s LEU 32 N 0.52 3.54 -0.39 0.00 2.96 -0.73 -4.29 118.68 120.28 1ulp s LEU 32 Ca -0.10 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.57 1ulp s LEU 32 Cb -0.13 -3.44 0.09 0.00 0.50 0.00 0.00 46.19 43.21 1ulp s LEU 32 CO 0.02 -1.54 0.19 0.00 -1.32 0.00 0.00 176.35 173.70 1ulp s VAL 34 N 1.26 2.62 -0.10 0.00 -7.23 -0.09 -2.55 120.40 114.32 1ulp s VAL 34 Ca 0.04 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 1ulp s VAL 34 Cb -0.22 -3.05 0.01 0.00 0.56 0.00 0.00 36.38 33.67 1ulp s VAL 34 CO -0.02 -0.04 -0.20 0.00 -0.31 0.00 0.00 175.10 174.53 1ulp s ALA 35 N -2.96 1.93 -0.17 1.32 0.00 -1.26 -3.10 121.76 117.51 1ulp s ALA 35 Ca 0.58 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1ulp s ALA 35 Cb -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1ulp s ALA 35 CO 0.41 0.19 -0.15 0.08 0.00 0.00 0.00 175.76 176.29 1ulp s VAL 36 N 0.51 2.54 0.55 0.00 1.01 -0.54 -4.22 120.40 120.24 1ulp s VAL 36 Ca -0.16 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1ulp s VAL 36 Cb -0.17 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 1ulp s VAL 36 CO 0.06 0.51 1.05 -2.16 0.00 0.00 0.00 175.10 174.56 1ulp s PRO 37 N 1.10 3.53 0.05 2.72 0.04 -1.26 -1.82 135.00 139.35 1ulp s PRO 37 Ca 0.00 1.28 -0.38 0.00 0.04 0.00 0.00 61.00 61.94 1ulp s PRO 37 Cb -0.14 -2.06 -0.19 0.00 0.04 0.00 0.00 34.50 32.15 1ulp s PRO 37 CO -0.05 -0.65 1.07 0.00 0.04 0.00 0.00 177.00 177.41 1ulp n ALA 38 N -1.57 -2.89 -3.53 8.56 0.00 -1.26 -1.76 120.51 118.07 1ulp n ALA 38 Ca 0.09 0.56 -0.20 0.00 0.00 0.00 0.00 53.44 53.89 1ulp n ALA 38 Cb 0.53 -1.82 0.01 0.00 0.00 0.00 0.00 19.45 18.16 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 1.77 -1.09 1.48 0.00 0.00 -0.43 -4.76 105.19 102.16 1ulp n GLY 39 Ca 0.19 0.69 -0.07 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.95 4.51 -1.85 1.61 7.64 -0.72 -4.10 113.62 118.76 1ulp n SER 40 Ca -0.19 -2.55 0.04 0.00 1.01 0.00 0.00 58.87 57.19 1ulp n SER 40 Cb 0.63 -0.83 0.37 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.52 3.95 -0.44 -0.43 0.00 -1.26 -2.12 120.51 120.73 1ulp n ALA 41 Ca 0.14 -1.89 0.05 0.00 0.00 0.00 0.00 53.44 51.74 1ulp n ALA 41 Cb 0.66 -1.14 0.30 0.00 0.00 0.00 0.00 19.45 19.27 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 0.47 3.92 0.00 0.00 10.64 -1.26 -4.50 117.38 126.65 1ulp n GLN 42 Ca 0.29 -2.38 0.00 0.00 -1.83 0.00 0.00 57.00 53.07 1ulp n GLN 42 Cb 1.19 -2.08 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 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 0.44 0.00 -0.04 2.61 0.18 -1.26 -5.12 117.16 113.98 1ulp n TYR 43 Ca 0.22 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.00 1ulp n TYR 43 Cb 0.98 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.94 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 0.59 3.98 -7.48 0.00 -1.21 -5.07 105.19 96.00 1ulp n GLY 44 Ca 0.00 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 2.09 -4.30 1.61 1.01 -1.14 -4.81 120.40 114.85 1ulp s VAL 45 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1ulp s VAL 45 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.79 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 -3.01 -1.90 3.24 4.51 0.00 -0.94 -0.46 105.19 106.63 1ulp n GLY 46 Ca 0.15 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1ulp n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 47 N -2.60 -0.13 -0.11 1.61 1.01 0.25 -1.39 120.40 119.03 1ulp s VAL 47 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1ulp s VAL 47 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1ulp s VAL 47 CO 0.00 0.05 -0.23 0.68 0.00 0.00 0.00 175.10 175.60 1ulp s VAL 48 N 1.60 2.00 -0.30 2.92 -7.23 0.07 -1.53 120.40 117.93 1ulp s VAL 48 Ca -0.08 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1ulp s VAL 48 Cb -0.09 -1.75 0.08 0.00 0.56 0.00 0.00 36.38 35.18 1ulp s VAL 48 CO -0.12 0.54 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.97 1ulp s LEU 49 N 0.52 4.14 -0.64 1.32 2.96 -1.19 -2.27 118.68 123.52 1ulp s LEU 49 Ca -0.15 -1.75 -0.26 0.00 -0.22 0.00 0.00 54.13 51.75 1ulp s LEU 49 Cb -0.17 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 44.95 1ulp s LEU 49 CO 0.05 -0.29 1.14 0.20 -1.32 0.00 0.00 176.35 176.13 1ulp s ASN 50 N 1.06 6.30 0.00 3.68 0.02 -1.26 -2.88 114.94 121.86 1ulp s ASN 50 Ca 0.01 -0.30 0.00 0.00 -1.02 0.00 0.00 52.86 51.54 1ulp s ASN 50 Cb -0.20 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.56 1ulp s ASN 50 CO -0.06 -1.54 0.00 0.61 0.02 0.00 0.00 177.10 176.13 1ulp n GLY 51 N 5.21 -1.76 3.65 0.66 0.00 -1.24 -4.99 105.19 106.72 1ulp n GLY 51 Ca 0.04 0.70 -0.29 0.00 0.00 0.00 0.00 46.02 46.47 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 1.83 -0.44 1.61 1.01 -1.08 -4.40 120.40 118.93 1ulp s VAL 52 Ca 0.00 -1.99 0.05 0.00 0.00 0.00 0.00 61.98 60.03 1ulp s VAL 52 Cb 0.00 -2.82 0.18 0.00 0.00 0.00 0.00 36.38 33.74 1ulp s VAL 52 CO 0.00 0.00 0.39 0.00 0.00 0.00 0.00 175.10 175.49 1ulp n ALA 53 N -1.04 2.88 -2.51 5.51 0.00 -1.18 -4.30 120.51 119.87 1ulp n ALA 53 Ca -0.08 -3.32 -0.24 0.00 0.00 0.00 0.00 53.44 49.80 1ulp n ALA 53 Cb 0.67 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 1ulp n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ulp s ILE 54 N -0.31 2.69 -0.21 0.00 -1.09 -0.74 -4.89 121.20 116.65 1ulp s ILE 54 Ca 0.33 -2.27 -0.13 0.00 -2.23 0.00 0.00 60.65 56.34 1ulp s ILE 54 Cb 0.05 -2.46 0.06 0.00 -1.58 0.00 0.00 42.46 38.54 1ulp s ILE 54 CO -0.18 -0.38 0.51 -0.70 -1.23 0.00 0.00 174.94 172.96 1ulp s GLU 55 N -3.56 0.52 0.00 2.79 2.12 -1.23 -0.79 118.70 118.54 1ulp s GLU 55 Ca 0.31 0.90 0.00 0.00 0.36 0.00 0.00 54.97 56.54 1ulp s GLU 55 Cb -0.05 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1ulp s GLU 55 CO 0.16 -0.14 0.00 -0.85 -0.54 0.00 0.00 175.26 173.89 1ulp n GLU 56 N 4.02 0.00 -2.82 4.30 0.28 0.47 -3.39 120.64 123.50 1ulp n GLU 56 Ca -0.21 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.36 1ulp n GLU 56 Cb 0.56 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.41 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 1.65 0.44 -1.84 0.00 -1.22 -2.21 107.32 104.14 1ulp s GLY 57 Ca 0.00 -2.46 0.04 0.00 0.00 0.00 0.00 44.72 42.30 1ulp s GLY 57 CO 0.00 2.20 0.02 -1.59 0.00 0.00 0.00 173.10 173.73 1ulp s THR 58 N 3.53 1.52 0.30 0.90 2.01 -0.65 -4.90 115.64 118.35 1ulp s THR 58 Ca 0.34 -2.00 -0.09 0.00 0.31 0.00 0.00 61.69 60.25 1ulp s THR 58 Cb -0.06 -2.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.77 1ulp s THR 58 CO -0.06 0.00 0.62 -0.89 -0.69 0.00 0.00 174.62 173.60 1ulp s THR 59 N -2.86 4.90 0.21 -0.82 2.01 -1.26 0.34 115.64 118.16 1ulp s THR 59 Ca 0.23 0.41 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 1ulp s THR 59 Cb 0.06 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.92 1ulp s THR 59 CO 0.12 -0.27 0.57 -0.31 -0.69 0.00 0.00 174.62 174.03 1ulp s TYR 60 N -2.05 -0.16 -0.16 4.92 2.02 -0.29 -3.84 117.35 117.79 1ulp s TYR 60 Ca 0.48 -0.19 -0.04 0.00 -0.37 0.00 0.00 57.07 56.95 1ulp s TYR 60 Cb -0.11 0.46 0.07 0.00 -0.40 0.00 0.00 41.96 41.98 1ulp s TYR 60 CO 0.26 -0.97 0.16 0.99 -1.57 0.00 0.00 175.55 174.41 1ulp s THR 61 N -3.87 -0.22 -0.24 -0.71 2.01 -1.22 -1.37 115.64 110.00 1ulp s THR 61 Ca 0.09 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.90 1ulp s THR 61 Cb -0.02 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 1ulp s THR 61 CO -0.02 -0.12 0.62 -0.22 -0.69 0.00 0.00 174.62 174.19 1ulp s LEU 62 N 2.25 4.08 -0.11 4.42 2.96 -0.76 -4.22 118.68 127.30 1ulp s LEU 62 Ca 0.04 0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1ulp s LEU 62 Cb -0.15 -2.85 0.03 0.00 0.50 0.00 0.00 46.19 43.72 1ulp s LEU 62 CO -0.09 -0.34 -0.07 -0.60 -1.32 0.00 0.00 176.35 173.93 1ulp s ARG 63 N 2.36 1.42 0.02 1.98 3.52 -1.16 -2.77 118.95 124.32 1ulp s ARG 63 Ca 0.26 -0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.46 1ulp s ARG 63 Cb -0.16 -1.57 0.03 0.00 -1.56 0.00 0.00 34.95 31.69 1ulp s ARG 63 CO 0.09 -0.29 0.34 1.52 -0.81 0.00 0.00 175.30 176.15 1ulp s TYR 64 N 1.73 -0.18 -0.44 5.12 -0.85 -1.01 -1.76 117.35 119.96 1ulp s TYR 64 Ca 0.05 0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.79 1ulp s TYR 64 Cb -0.13 0.13 0.12 0.00 0.38 0.00 0.00 41.96 42.46 1ulp s TYR 64 CO -0.08 -0.49 0.16 0.99 -1.52 0.00 0.00 175.55 174.62 1ulp s THR 65 N -2.13 2.48 0.13 -3.49 2.01 -1.26 0.54 115.64 113.92 1ulp s THR 65 Ca -0.08 -2.84 0.01 0.00 0.31 0.00 0.00 61.69 59.09 1ulp s THR 65 Cb -0.02 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1ulp s THR 65 CO -0.00 -0.71 0.27 0.00 -0.69 0.00 0.00 174.62 173.49 1ulp s ALA 66 N 0.29 3.97 -0.19 7.40 0.00 -0.90 -3.39 121.76 128.94 1ulp s ALA 66 Ca 0.14 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1ulp s ALA 66 Cb -0.23 -1.82 0.09 0.00 0.00 0.00 0.00 23.12 21.17 1ulp s ALA 66 CO -0.04 0.62 0.36 0.99 0.00 0.00 0.00 175.76 177.69 1ulp s THR 67 N -1.68 -0.56 -0.10 0.00 2.01 -0.89 -2.49 115.64 111.93 1ulp s THR 67 Ca 0.35 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.40 1ulp s THR 67 Cb -0.12 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1ulp s THR 67 CO 0.28 0.02 0.16 0.00 -0.69 0.00 0.00 174.62 174.40 1ulp s ALA 68 N 2.53 3.87 0.59 7.40 0.00 -1.07 -1.94 121.76 133.13 1ulp s ALA 68 Ca 0.03 -0.61 0.31 0.00 0.00 0.00 0.00 51.96 51.68 1ulp s ALA 68 Cb -0.13 -2.00 1.24 0.00 0.00 0.00 0.00 23.12 22.24 1ulp s ALA 68 CO -0.12 0.62 1.57 1.03 0.00 0.00 0.00 175.76 178.85 1ulp h SER 69 N 4.89 0.00 -0.30 0.00 0.87 -1.77 -3.17 113.55 114.07 1ulp h SER 69 Ca -0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1ulp h SER 69 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1ulp h SER 69 CO 0.59 0.00 0.00 1.07 -0.53 0.00 0.00 176.83 177.96 1ulp n THR 70 N -3.54 0.00 -2.98 2.23 5.66 -1.26 -4.24 114.28 110.15 1ulp n THR 70 Ca 0.21 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.91 1ulp n THR 70 Cb 1.28 -0.04 -0.04 0.00 -1.55 0.00 0.00 70.33 69.99 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 0.00 4.90 -4.75 1.09 2.03 -1.26 -2.48 116.55 116.08 1ulp n ASP 71 Ca 0.00 -3.64 -0.40 0.00 0.52 0.00 0.00 54.79 51.27 1ulp n ASP 71 Cb 0.00 -0.70 -0.05 0.00 -0.72 0.00 0.00 41.12 39.64 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 -4.04 4.51 -0.52 5.18 0.11 -1.24 -4.74 120.40 119.65 1ulp s VAL 72 Ca 0.45 1.80 0.04 0.00 -2.93 0.00 0.00 61.98 61.34 1ulp s VAL 72 Cb 0.23 -4.19 0.13 0.00 -1.53 0.00 0.00 36.38 31.02 1ulp s VAL 72 CO -0.10 0.41 0.27 -0.89 -3.33 0.00 0.00 175.10 171.45 1ulp s THR 73 N -0.46 2.62 0.00 5.04 2.01 -1.26 -1.52 115.64 122.07 1ulp s THR 73 Ca 0.40 -3.32 0.00 0.00 0.31 0.00 0.00 61.69 59.08 1ulp s THR 73 Cb -0.22 -2.82 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ulp s THR 73 CO 0.26 -0.80 0.00 1.33 -0.69 0.00 0.00 174.62 174.72 1ulp n VAL 74 N 3.10 0.00 -4.57 3.82 0.24 -1.07 -4.89 118.33 114.96 1ulp n VAL 74 Ca 0.05 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.13 1ulp n VAL 74 Cb 0.32 -0.06 -0.15 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.94 1.21 0.10 7.34 0.52 -1.12 -3.22 118.95 125.73 1ulp s ARG 75 Ca 0.00 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 1ulp s ARG 75 Cb 0.00 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 1ulp s ARG 75 CO 0.00 0.20 -0.08 0.00 0.02 0.00 0.00 175.30 175.44 1ulp s ALA 76 N -0.01 1.07 0.00 2.13 0.00 -0.88 -2.21 121.76 121.85 1ulp s ALA 76 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1ulp s ALA 76 Cb -0.08 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1ulp s ALA 76 CO 0.01 -0.13 0.00 1.47 0.00 0.00 0.00 175.76 177.10 1ulp n LEU 77 N 0.25 0.00 -4.00 0.00 -0.00 -0.76 -3.00 117.00 109.50 1ulp n LEU 77 Ca -0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.77 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 0.29 0.00 0.03 -0.69 -0.00 0.00 0.00 177.39 177.02 1ulp s VAL 78 N -3.38 0.03 -0.00 1.47 1.01 -1.26 -1.81 120.40 116.46 1ulp s VAL 78 Ca 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 1ulp s VAL 78 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1ulp s VAL 78 CO 0.00 -0.14 0.03 0.61 0.00 0.00 0.00 175.10 175.60 1ulp n GLY 79 N -0.29 0.48 3.32 4.51 0.00 -1.16 -2.87 105.19 109.17 1ulp n GLY 79 Ca -0.04 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 3.29 -0.84 1.61 0.74 -1.01 -2.01 119.66 119.44 1ulp s GLN 80 Ca 0.01 -0.69 -0.22 0.00 0.05 0.00 0.00 55.36 54.50 1ulp s GLN 80 Cb -0.00 -3.10 0.08 0.00 1.10 0.00 0.00 33.01 31.09 1ulp s GLN 80 CO -0.00 -0.26 1.17 -0.80 -0.55 0.00 0.00 175.29 174.85 1ulp s ASN 81 N 1.48 6.39 0.00 6.67 -0.87 0.12 -4.14 114.94 124.59 1ulp s ASN 81 Ca 0.05 -1.35 0.00 0.00 -1.57 0.00 0.00 52.86 49.98 1ulp s ASN 81 Cb -0.15 -2.47 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1ulp s ASN 81 CO -0.02 -1.40 0.00 0.61 -2.57 0.00 0.00 177.10 173.73 1ulp n GLY 82 N 5.75 -1.49 0.00 0.66 0.00 -1.26 -3.08 105.19 105.77 1ulp n GLY 82 Ca 0.14 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp n ALA 83 N 0.00 0.00 0.18 4.61 0.00 -1.26 -4.47 120.51 119.57 1ulp n ALA 83 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 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 -0.35 1.29 -1.16 0.00 -0.04 -1.26 -4.84 135.00 128.64 1ulp n PRO 84 Ca 0.00 -0.65 0.10 0.00 -0.04 0.00 0.00 63.50 62.91 1ulp n PRO 84 Cb 0.00 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.39 -3.14 -3.15 0.54 4.01 -1.26 -5.02 117.16 109.53 1ulp n TYR 85 Ca 0.13 1.73 0.05 0.00 -0.16 0.00 0.00 57.90 59.65 1ulp n TYR 85 Cb 0.69 -2.82 -0.01 0.00 -0.31 0.00 0.00 39.34 36.89 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 -6.14 -0.80 0.05 2.72 0.00 -1.26 -4.82 107.32 97.06 1ulp s GLY 86 Ca 0.00 2.15 -0.19 0.00 0.00 0.00 0.00 44.72 46.68 1ulp s GLY 86 CO 0.00 3.93 0.55 -0.51 0.00 0.00 0.00 173.10 177.06 1ulp s THR 87 N 2.93 4.81 -0.00 0.90 -4.23 -1.26 -2.39 115.64 116.40 1ulp s THR 87 Ca 0.16 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1ulp s THR 87 Cb -0.06 -3.87 -0.00 0.00 1.34 0.00 0.00 72.50 69.90 1ulp s THR 87 CO -0.20 0.54 0.00 1.33 -0.54 0.00 0.00 174.62 175.76 1ulp n VAL 88 N 1.88 0.00 -4.38 2.29 0.24 -1.14 -4.87 118.33 112.35 1ulp n VAL 88 Ca -0.10 -0.16 -0.33 0.00 -2.04 0.00 0.00 64.34 61.71 1ulp n VAL 88 Cb 0.51 0.66 -0.10 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.68 3.39 -0.44 1.34 1.02 -1.25 -4.82 118.68 115.24 1ulp s LEU 89 Ca -0.00 -0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.18 1ulp s LEU 89 Cb 0.00 -1.90 0.17 0.00 0.02 0.00 0.00 46.19 44.49 1ulp s LEU 89 CO 0.00 0.30 0.51 -0.62 0.02 0.00 0.00 176.35 176.57 1ulp s ASP 90 N -1.34 0.10 0.29 2.29 -1.08 -1.26 -4.00 116.67 111.67 1ulp s ASP 90 Ca 0.17 -2.03 -0.02 0.00 -0.52 0.00 0.00 52.55 50.15 1ulp s ASP 90 Cb -0.11 0.85 -0.02 0.00 -1.46 0.00 0.00 42.92 42.18 1ulp s ASP 90 CO 0.07 -0.15 0.35 0.42 0.52 0.00 0.00 175.17 176.39 1ulp s THR 91 N 0.85 0.00 -0.20 1.71 -4.23 -1.16 -5.08 115.64 107.52 1ulp s THR 91 Ca 0.26 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1ulp s THR 91 Cb -0.03 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.35 1ulp s THR 91 CO -0.09 0.00 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.40 1ulp s SER 92 N -3.20 3.47 -0.01 3.99 0.01 -1.26 -2.08 113.70 114.62 1ulp s SER 92 Ca 0.33 -0.87 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1ulp s SER 92 Cb 0.02 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 1ulp s SER 92 CO 0.17 -0.08 1.39 -2.16 0.41 0.00 0.00 173.24 172.97 1ulp s PRO 93 N 1.29 4.28 0.09 12.44 0.04 -1.20 -4.91 135.00 147.03 1ulp s PRO 93 Ca 0.00 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 1ulp s PRO 93 Cb -0.15 -3.59 -0.05 0.00 0.04 0.00 0.00 34.50 30.74 1ulp s PRO 93 CO -0.10 -0.58 0.32 0.00 0.04 0.00 0.00 177.00 176.69 1ulp s ALA 94 N 2.49 3.84 0.19 8.56 0.00 -1.26 -2.60 121.76 132.97 1ulp s ALA 94 Ca 0.63 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.01 1ulp s ALA 94 Cb -0.30 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1ulp s ALA 94 CO 0.26 0.68 0.05 -0.51 0.00 0.00 0.00 175.76 176.24 1ulp s LEU 95 N -2.33 1.84 0.00 0.00 1.43 -0.58 -4.90 118.68 114.15 1ulp s LEU 95 Ca 0.36 -1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.04 1ulp s LEU 95 Cb -0.13 0.07 0.06 0.00 0.03 0.00 0.00 46.19 46.23 1ulp s LEU 95 CO 0.22 -0.67 0.82 1.07 0.23 0.00 0.00 176.35 178.02 1ulp n THR 96 N -0.27 0.00 0.64 5.49 5.66 -1.04 -3.65 114.28 121.11 1ulp n THR 96 Ca -0.04 -0.69 0.07 0.00 -3.05 0.00 0.00 64.05 60.34 1ulp n THR 96 Cb 0.64 0.78 0.35 0.00 -1.55 0.00 0.00 70.33 70.55 1ulp n THR 96 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ulp n SER 97 N -1.35 0.00 -4.86 1.09 3.41 -1.17 -2.61 113.62 108.14 1ulp n SER 97 Ca -0.05 0.16 -0.28 0.00 -0.26 0.00 0.00 58.87 58.44 1ulp n SER 97 Cb 0.52 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ulp s GLU 98 N -2.65 2.24 0.04 4.33 2.02 -1.26 -4.97 118.70 118.45 1ulp s GLU 98 Ca 0.12 -2.14 -0.30 0.00 0.02 0.00 0.00 54.97 52.67 1ulp s GLU 98 Cb 0.09 -1.92 -0.06 0.00 0.10 0.00 0.00 34.13 32.35 1ulp s GLU 98 CO 0.22 -0.53 1.28 -1.25 0.02 0.00 0.00 175.26 175.01 1ulp s PRO 99 N -4.15 4.36 -0.50 0.39 0.04 -1.26 -4.65 135.00 129.24 1ulp s PRO 99 Ca 0.25 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1ulp s PRO 99 Cb -0.01 -3.42 0.13 0.00 0.04 0.00 0.00 34.50 31.24 1ulp s PRO 99 CO 0.15 -0.40 0.23 1.03 0.04 0.00 0.00 177.00 178.06 1ulp s ARG 100 N 1.58 1.92 0.63 4.56 0.52 -1.04 -5.03 118.95 122.10 1ulp s ARG 100 Ca 0.60 -2.51 -0.13 0.00 -0.52 0.00 0.00 55.73 53.17 1ulp s ARG 100 Cb -0.30 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 31.83 1ulp s ARG 100 CO 0.27 -1.09 1.05 -1.14 0.02 0.00 0.00 175.30 174.41 1ulp s GLN 101 N -0.11 3.28 -0.01 3.54 0.74 -1.26 -2.11 119.66 123.73 1ulp s GLN 101 Ca 0.16 1.04 0.02 0.00 0.05 0.00 0.00 55.36 56.62 1ulp s GLN 101 Cb -0.25 -2.03 -0.00 0.00 1.10 0.00 0.00 33.01 31.83 1ulp s GLN 101 CO -0.01 -0.83 -0.06 0.08 -0.55 0.00 0.00 175.29 173.91 1ulp s VAL 102 N -2.77 0.50 -0.28 1.34 1.01 0.19 -4.90 120.40 115.49 1ulp s VAL 102 Ca 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1ulp s VAL 102 Cb -0.14 -0.43 0.14 0.00 0.00 0.00 0.00 36.38 35.95 1ulp s VAL 102 CO 0.45 0.15 0.36 -0.89 0.00 0.00 0.00 175.10 175.16 1ulp s THR 103 N -0.07 -0.54 0.15 3.92 2.01 -1.26 -2.40 115.64 117.45 1ulp s THR 103 Ca 0.01 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1ulp s THR 103 Cb -0.03 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1ulp s THR 103 CO -0.00 -0.31 0.12 -1.61 -0.69 0.00 0.00 174.62 172.13 1ulp s GLU 104 N 2.47 1.01 0.35 4.92 0.41 -1.12 -5.03 118.70 121.72 1ulp s GLU 104 Ca 0.10 -1.39 0.07 0.00 -0.41 0.00 0.00 54.97 53.35 1ulp s GLU 104 Cb -0.14 0.28 -0.07 0.00 -1.78 0.00 0.00 34.13 32.43 1ulp s GLU 104 CO -0.28 -0.32 -0.04 -0.08 -0.49 0.00 0.00 175.26 174.06 1ulp s THR 105 N -4.04 1.92 -0.21 3.63 -1.32 -1.26 -1.82 115.64 112.55 1ulp s THR 105 Ca 0.24 -2.10 -0.30 0.00 -1.21 0.00 0.00 61.69 58.32 1ulp s THR 105 Cb 0.06 -2.74 0.15 0.00 -1.51 0.00 0.00 72.50 68.47 1ulp s THR 105 CO 0.02 -0.13 1.16 0.72 -2.21 0.00 0.00 174.62 174.18 1ulp s PHE 106 N -2.80 -0.22 -0.75 9.09 -0.12 -0.47 -4.95 117.98 117.76 1ulp s PHE 106 Ca 0.33 0.34 -0.20 0.00 -0.05 0.00 0.00 56.93 57.35 1ulp s PHE 106 Cb 0.06 0.48 0.10 0.00 -0.63 0.00 0.00 43.02 43.03 1ulp s PHE 106 CO 0.16 -0.22 0.98 0.99 -0.05 0.00 0.00 175.22 177.08 1ulp s THR 107 N -1.27 4.58 -0.61 -4.49 2.01 -1.26 -1.14 115.64 113.45 1ulp s THR 107 Ca 0.04 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1ulp s THR 107 Cb -0.01 -4.68 -0.11 0.00 0.01 0.00 0.00 72.50 67.71 1ulp s THR 107 CO -0.03 -1.41 2.49 0.00 -0.69 0.00 0.00 174.62 174.97 1ulp n ALA 108 N 6.98 0.67 -1.54 7.40 0.00 0.15 -4.68 120.51 129.48 1ulp n ALA 108 Ca 0.06 -0.78 -0.28 0.00 0.00 0.00 0.00 53.44 52.43 1ulp n ALA 108 Cb 0.46 -2.99 -0.06 0.00 0.00 0.00 0.00 19.45 16.87 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 14.65 6.74 0.00 0.00 3.41 -1.26 -1.64 113.62 135.52 1ulp n SER 109 Ca 0.44 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1ulp n SER 109 Cb 0.42 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1ulp n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 110 N 1.32 0.00 -3.47 7.33 0.00 -0.94 -4.79 120.51 119.95 1ulp n ALA 110 Ca 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1ulp n ALA 110 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.09 -0.41 -0.87 0.00 2.01 -1.26 0.18 115.64 113.19 1ulp s THR 111 Ca 0.00 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1ulp s THR 111 Cb 0.00 -0.69 0.23 0.00 0.01 0.00 0.00 72.50 72.05 1ulp s THR 111 CO 0.00 -0.15 0.85 -1.22 -0.69 0.00 0.00 174.62 173.42 1ulp n TYR 112 N 5.34 3.82 -1.31 4.92 4.01 0.02 -4.45 117.16 129.52 1ulp n TYR 112 Ca -0.05 -3.95 -0.30 0.00 -0.16 0.00 0.00 57.90 53.44 1ulp n TYR 112 Cb 0.50 -1.02 0.22 0.00 -0.31 0.00 0.00 39.34 38.73 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 -1.77 -0.68 -0.31 -0.72 0.04 -1.26 -1.80 135.00 128.50 1ulp s PRO 113 Ca 0.30 -0.14 0.08 0.00 0.04 0.00 0.00 61.00 61.28 1ulp s PRO 113 Cb -0.01 -1.67 0.47 0.00 0.04 0.00 0.00 34.50 33.32 1ulp s PRO 113 CO -0.08 -3.34 1.36 0.00 0.04 0.00 0.00 177.00 174.98 1ulp n ALA 114 N -4.48 4.60 -3.58 8.56 0.00 -1.26 -3.03 120.51 121.31 1ulp n ALA 114 Ca 0.13 -3.45 -0.40 0.00 0.00 0.00 0.00 53.44 49.73 1ulp n ALA 114 Cb 0.59 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ulp n ALA 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulp s THR 115 N -3.87 4.39 -1.22 0.00 2.01 -1.26 -4.99 115.64 110.70 1ulp s THR 115 Ca 0.47 -2.88 -0.21 0.00 0.31 0.00 0.00 61.69 59.38 1ulp s THR 115 Cb 0.41 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1ulp s THR 115 CO -0.01 -0.94 1.87 -2.16 -0.69 0.00 0.00 174.62 172.69 1ulp s PRO 116 N -0.10 2.94 0.35 4.92 0.04 -1.26 -4.21 135.00 137.67 1ulp s PRO 116 Ca 0.18 -1.42 0.04 0.00 0.04 0.00 0.00 61.00 59.84 1ulp s PRO 116 Cb -0.16 -5.33 -0.04 0.00 0.04 0.00 0.00 34.50 29.01 1ulp s PRO 116 CO -0.06 -3.47 0.13 0.00 0.04 0.00 0.00 177.00 173.65 1ulp s ALA 117 N 8.98 2.39 -0.00 8.56 0.00 -0.68 -5.02 121.76 135.99 1ulp s ALA 117 Ca 0.64 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 1ulp s ALA 117 Cb 0.01 0.92 -0.13 0.00 0.00 0.00 0.00 23.12 23.91 1ulp s ALA 117 CO 0.12 -0.41 0.97 0.00 0.00 0.00 0.00 175.76 176.44 1ulp h ALA 118 N 2.03 -0.82 -0.14 0.00 0.00 -2.01 -3.10 119.26 115.23 1ulp h ALA 118 Ca -0.35 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ulp h ALA 118 Cb 1.26 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1ulp h ALA 118 CO 0.57 -0.77 0.00 -3.47 0.00 0.00 0.00 179.25 175.58 1ulp n ASP 119 N -5.32 1.08 -3.58 0.00 2.03 -1.26 -4.50 116.55 104.99 1ulp n ASP 119 Ca -0.10 -2.05 -0.29 0.00 0.52 0.00 0.00 54.79 52.87 1ulp n ASP 119 Cb 0.33 -0.21 -0.13 0.00 -0.72 0.00 0.00 41.12 40.39 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ulp s ASP 120 N -0.78 3.37 0.98 1.67 1.01 -1.17 -5.12 116.67 116.63 1ulp s ASP 120 Ca 0.10 -2.20 -0.14 0.00 0.71 0.00 0.00 52.55 51.02 1ulp s ASP 120 Cb 0.06 -0.66 0.18 0.00 1.01 0.00 0.00 42.92 43.51 1ulp s ASP 120 CO 0.06 -0.32 1.14 -2.16 0.21 0.00 0.00 175.17 174.10 1ulp s PRO 121 N 0.97 0.54 0.00 8.23 0.04 -1.26 -1.69 135.00 141.83 1ulp s PRO 121 Ca 0.16 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1ulp s PRO 121 Cb -0.22 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1ulp s PRO 121 CO -0.05 -2.59 0.00 -0.85 0.04 0.00 0.00 177.00 173.55 1ulp n GLU 122 N -4.02 0.00 -4.07 4.56 0.00 -1.18 -4.53 120.64 111.41 1ulp n GLU 122 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.14 1ulp n GLU 122 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.92 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulp s GLY 123 N -0.39 0.48 0.00 -1.84 0.00 -1.17 0.16 107.32 104.56 1ulp s GLY 123 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1ulp s GLY 123 CO 0.00 -1.03 0.00 0.61 0.00 0.00 0.00 173.10 172.68 1ulp n GLN 124 N 0.85 0.00 -4.86 2.90 10.64 -0.85 -2.62 117.38 123.44 1ulp n GLN 124 Ca -0.19 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.68 1ulp n GLN 124 Cb 0.58 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.81 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 -2.13 2.33 -0.24 -0.39 1.01 -1.14 -2.98 121.20 117.66 1ulp s ILE 125 Ca 0.00 -1.31 -0.01 0.00 0.00 0.00 0.00 60.65 59.33 1ulp s ILE 125 Cb 0.00 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.58 1ulp s ILE 125 CO 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 174.94 175.23 1ulp s ALA 126 N -0.83 2.64 -0.72 9.38 0.00 -0.75 -3.15 121.76 128.33 1ulp s ALA 126 Ca 0.12 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1ulp s ALA 126 Cb -0.10 -1.62 0.21 0.00 0.00 0.00 0.00 23.12 21.62 1ulp s ALA 126 CO 0.03 -0.79 0.68 1.19 0.00 0.00 0.00 175.76 176.86 1ulp n PHE 127 N 4.64 3.50 -3.07 0.00 3.01 -0.58 -1.82 117.46 123.14 1ulp n PHE 127 Ca -0.17 -4.16 -0.40 0.00 1.01 0.00 0.00 57.45 53.73 1ulp n PHE 127 Cb 0.47 -0.69 -0.06 0.00 -0.01 0.00 0.00 39.48 39.20 1ulp n PHE 127 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ulp s GLN 128 N -1.94 4.21 -0.77 -1.08 -0.21 -0.94 0.85 119.66 119.77 1ulp s GLN 128 Ca 0.32 0.69 0.01 0.00 0.02 0.00 0.00 55.36 56.40 1ulp s GLN 128 Cb 0.04 -3.59 0.35 0.00 1.00 0.00 0.00 33.01 30.81 1ulp s GLN 128 CO -0.09 -0.30 1.54 1.28 -2.12 0.00 0.00 175.29 175.60 1ulp n LEU 129 N 5.24 6.25 -4.56 2.90 4.77 0.39 -2.80 117.00 129.19 1ulp n LEU 129 Ca 0.00 -5.29 -0.22 0.00 -0.03 0.00 0.00 56.01 50.48 1ulp n LEU 129 Cb 0.49 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 1ulp n LEU 129 CO 0.45 2.08 1.29 -0.83 -1.33 0.00 0.00 177.39 179.05 1ulp s GLY 130 N -2.18 -0.22 -0.18 -0.72 0.00 -1.18 -2.89 107.32 99.95 1ulp s GLY 130 Ca 0.46 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.75 1ulp s GLY 130 CO -0.22 3.78 0.26 0.61 0.00 0.00 0.00 173.10 177.54 1ulp n GLY 131 N 6.78 0.08 0.53 0.20 0.00 -0.90 -4.73 105.19 107.15 1ulp n GLY 131 Ca 0.43 0.46 -0.11 0.00 0.00 0.00 0.00 46.02 46.79 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 0.70 0.00 -2.21 1.61 3.72 -1.26 -4.75 117.46 115.28 1ulp n PHE 132 Ca -0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.25 1ulp n PHE 132 Cb 0.57 -0.40 0.06 0.00 -0.94 0.00 0.00 39.48 38.77 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 -3.36 0.50 0.00 4.37 2.88 -1.26 -4.77 113.62 111.98 1ulp n SER 133 Ca -0.21 -1.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.87 1ulp n SER 133 Cb 0.67 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -3.05 0.00 -1.23 -1.46 0.00 -1.26 -4.51 120.51 109.00 1ulp n ALA 134 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1ulp n ALA 134 Cb 0.27 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 4.03 0.06 0.00 1.01 -1.26 -1.32 116.67 118.19 1ulp s ASP 135 Ca 0.00 2.25 -0.36 0.00 0.71 0.00 0.00 52.55 55.15 1ulp s ASP 135 Cb 0.00 -2.58 -0.16 0.00 1.01 0.00 0.00 42.92 41.20 1ulp s ASP 135 CO 0.00 -2.36 1.47 0.00 0.21 0.00 0.00 175.17 174.49 1ulp n ALA 136 N -3.06 -0.19 -3.20 5.23 0.00 -1.26 -4.49 120.51 113.55 1ulp n ALA 136 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1ulp n ALA 136 Cb 0.51 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 3.28 0.00 -3.68 0.00 2.14 -0.76 -4.77 117.44 113.65 1ulp n TRP 137 Ca 0.19 0.00 -0.07 0.00 2.07 0.00 0.00 57.50 59.69 1ulp n TRP 137 Cb 0.21 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.74 1ulp n TRP 137 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1ulp n THR 138 N 0.00 0.00 -3.87 -1.67 5.66 -1.26 -1.46 114.28 111.68 1ulp n THR 138 Ca 0.00 -0.83 -0.12 0.00 -3.05 0.00 0.00 64.05 60.05 1ulp n THR 138 Cb 0.00 0.84 -0.13 0.00 -1.55 0.00 0.00 70.33 69.48 1ulp n THR 138 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1ulp s LEU 139 N 0.00 1.88 -0.25 1.09 1.02 -1.18 -3.72 118.68 117.52 1ulp s LEU 139 Ca 0.14 0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.26 1ulp s LEU 139 Cb -0.04 0.15 0.09 0.00 0.02 0.00 0.00 46.19 46.40 1ulp s LEU 139 CO 0.10 -0.05 0.13 0.00 0.02 0.00 0.00 176.35 176.55 1ulp n LEU 141 N 5.26 0.00 0.00 0.00 4.77 -0.41 -2.09 117.00 124.53 1ulp n LEU 141 Ca -0.06 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.02 1ulp n LEU 141 Cb 0.45 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ulp n LEU 141 CO 0.06 -0.79 0.00 -0.90 -1.33 0.00 0.00 177.39 174.43 1ulp n ASP 142 N -2.68 0.00 -2.29 -1.43 5.68 -1.22 -1.77 116.55 112.84 1ulp n ASP 142 Ca 0.14 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.40 1ulp n ASP 142 Cb 0.49 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.53 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 -0.99 -4.69 -1.12 -0.08 -1.17 -3.74 116.55 104.76 1ulp n ASP 143 Ca 0.00 -1.75 -0.39 0.00 -1.51 0.00 0.00 54.79 51.14 1ulp n ASP 143 Cb 0.00 0.57 -0.06 0.00 2.34 0.00 0.00 41.12 43.97 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ulp s VAL 144 N 0.08 5.08 -0.03 5.18 1.01 0.63 -3.11 120.40 129.24 1ulp s VAL 144 Ca 0.07 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 63.06 1ulp s VAL 144 Cb 0.22 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1ulp s VAL 144 CO -0.06 0.20 0.30 0.00 0.00 0.00 0.00 175.10 175.54 1ulp s ALA 145 N 1.33 -0.75 -0.01 5.51 0.00 -0.72 -3.67 121.76 123.45 1ulp s ALA 145 Ca 0.29 0.39 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1ulp s ALA 145 Cb -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1ulp s ALA 145 CO 0.12 -0.24 0.01 -1.17 0.00 0.00 0.00 175.76 174.48 1ulp s LEU 146 N -1.08 1.94 0.00 0.00 2.96 -1.26 -2.99 118.68 118.24 1ulp s LEU 146 Ca -0.11 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1ulp s LEU 146 Cb -0.05 0.05 0.02 0.00 0.50 0.00 0.00 46.19 46.71 1ulp s LEU 146 CO 0.03 -0.01 0.45 0.47 -1.32 0.00 0.00 176.35 175.98 1ulp n ASP 147 N 3.08 -1.28 -4.23 3.68 8.00 -1.26 -4.98 116.55 119.55 1ulp n ASP 147 Ca -0.12 -2.48 -0.24 0.00 0.71 0.00 0.00 54.79 52.66 1ulp n ASP 147 Cb 0.60 2.30 -0.09 0.00 -0.02 0.00 0.00 41.12 43.91 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ulp s SER 148 N -2.74 2.58 -0.94 -2.24 0.01 -1.26 -3.45 113.70 105.67 1ulp s SER 148 Ca 0.21 -1.57 -0.25 0.00 1.31 0.00 0.00 55.95 55.65 1ulp s SER 148 Cb -0.02 0.32 -0.12 0.00 0.21 0.00 0.00 66.02 66.42 1ulp s SER 148 CO 0.15 -0.83 2.14 -1.83 0.41 0.00 0.00 173.24 173.28 1ulp s GLU 149 N -3.79 1.95 -0.30 12.44 -1.05 -1.25 -4.76 118.70 121.95 1ulp s GLU 149 Ca 0.28 -0.18 -0.17 0.00 -0.15 0.00 0.00 54.97 54.75 1ulp s GLU 149 Cb 0.05 -4.98 0.20 0.00 -0.44 0.00 0.00 34.13 28.96 1ulp s GLU 149 CO 0.14 -4.25 1.25 0.54 0.95 0.00 0.00 175.26 173.90 1ulp s VAL 150 N 13.18 -0.02 0.08 1.83 0.11 -1.26 -5.04 120.40 129.27 1ulp s VAL 150 Ca 0.80 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 1ulp s VAL 150 Cb -0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1ulp s VAL 150 CO 0.08 0.00 0.00 -0.62 -3.33 0.00 0.00 175.10 171.23 1ulp n GLU 151 N 3.46 -0.67 0.00 1.54 -0.58 -1.26 -5.15 120.64 117.97 1ulp n GLU 151 Ca -0.15 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1ulp n GLU 151 Cb 0.56 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 1ulp n GLU 151 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93