#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 -6.16 -4.38 0.00 2.88 -1.26 -4.63 113.62 100.07 1ulp n SER 2 Ca 0.00 -0.23 -0.36 0.00 -1.33 0.00 0.00 58.87 56.95 1ulp n SER 2 Cb 0.00 -2.96 -0.04 0.00 -0.75 0.00 0.00 64.21 60.46 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 -1.14 2.19 -1.04 -1.46 -0.04 -1.26 -4.61 135.00 127.64 1ulp n PRO 3 Ca -0.10 -2.65 -0.09 0.00 -0.04 0.00 0.00 63.50 60.62 1ulp n PRO 3 Cb 0.62 -3.51 0.16 0.00 -0.04 0.00 0.00 33.50 30.72 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 6.91 2.62 0.00 0.52 -5.35 -1.26 -4.90 119.36 117.90 1ulp n ILE 4 Ca 0.47 -3.04 0.00 0.00 -0.27 0.00 0.00 62.75 59.91 1ulp n ILE 4 Cb 0.45 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 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 -1.05 2.85 3.49 3.28 0.00 -1.26 -4.64 105.19 107.85 1ulp n GLY 5 Ca 0.37 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -1.60 -0.18 1.61 0.28 -1.14 -4.82 120.64 114.79 1ulp n GLU 6 Ca 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1ulp n GLU 6 Cb 0.00 -4.24 0.00 0.00 1.43 0.00 0.00 31.44 28.63 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 -0.78 5.55 2.79 -1.84 0.00 -1.18 -4.77 105.19 104.95 1ulp n GLY 7 Ca 0.06 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 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 3.57 -2.33 2.61 -2.24 -1.26 -1.07 114.28 113.56 1ulp n THR 8 Ca 0.00 -4.69 -0.03 0.00 -2.27 0.00 0.00 64.05 57.06 1ulp n THR 8 Cb 0.00 -1.29 -0.00 0.00 -2.10 0.00 0.00 70.33 66.94 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 -0.46 -1.75 -1.38 4.78 3.72 -1.26 -4.35 117.46 116.75 1ulp n PHE 9 Ca 0.49 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.64 1ulp n PHE 9 Cb 0.34 -1.40 -0.08 0.00 -0.94 0.00 0.00 39.48 37.40 1ulp n PHE 9 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1ulp n ASP 10 N -1.32 6.49 0.00 4.37 5.75 -1.26 -3.76 116.55 126.82 1ulp n ASP 10 Ca -0.03 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 1ulp n ASP 10 Cb 0.48 -1.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.23 1ulp n ASP 10 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ulp n ASP 11 N 1.76 0.00 0.00 -1.12 9.92 -1.26 -5.05 116.55 120.80 1ulp n ASP 11 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 1ulp n ASP 11 Cb 0.60 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ulp n GLY 12 N 0.00 2.80 0.00 0.44 0.00 -1.25 -4.77 105.19 102.41 1ulp n GLY 12 Ca 0.00 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.35 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 0.58 0.81 0.00 1.61 -0.04 -1.26 -4.64 135.00 132.06 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 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1ulp n PRO 13 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ulp n GLU 14 N -0.67 0.00 -1.49 0.54 0.00 -1.26 -1.48 120.64 116.28 1ulp n GLU 14 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.24 1ulp n GLU 14 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.48 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ulp n GLY 15 N 0.00 0.96 3.68 8.31 0.00 -1.26 -5.08 105.19 111.79 1ulp n GLY 15 Ca 0.00 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.20 3.44 0.28 1.61 0.52 -0.55 -4.55 118.94 119.50 1ulp s TRP 16 Ca 0.27 1.18 0.10 0.00 0.02 0.00 0.00 56.10 57.66 1ulp s TRP 16 Cb 0.31 -2.93 -0.05 0.00 -1.15 0.00 0.00 33.47 29.66 1ulp s TRP 16 CO -0.13 -0.17 -0.02 0.54 0.02 0.00 0.00 176.95 177.20 1ulp s VAL 17 N 1.85 3.19 -0.12 4.03 0.11 -0.83 -4.99 120.40 123.64 1ulp s VAL 17 Ca 0.36 -1.97 -0.05 0.00 -2.93 0.00 0.00 61.98 57.38 1ulp s VAL 17 Cb -0.17 -2.78 0.05 0.00 -1.53 0.00 0.00 36.38 31.96 1ulp s VAL 17 CO 0.13 -0.34 0.27 0.00 -3.33 0.00 0.00 175.10 171.82 1ulp s ALA 18 N -2.38 -0.60 0.43 1.54 0.00 -1.26 -1.55 121.76 117.94 1ulp s ALA 18 Ca 0.32 1.02 0.08 0.00 0.00 0.00 0.00 51.96 53.38 1ulp s ALA 18 Cb -0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1ulp s ALA 18 CO 0.19 -0.38 0.44 1.52 0.00 0.00 0.00 175.76 177.54 1ulp s TYR 19 N 1.73 2.65 0.00 0.00 -0.85 -0.51 -4.10 117.35 116.28 1ulp s TYR 19 Ca -0.05 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 1ulp s TYR 19 Cb -0.11 -2.22 0.00 0.00 0.38 0.00 0.00 41.96 40.01 1ulp s TYR 19 CO -0.09 -0.25 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 1ulp n GLY 20 N -1.66 1.49 2.04 5.49 0.00 -1.26 -3.12 105.19 108.18 1ulp n GLY 20 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.11 0.00 -2.97 2.61 -2.24 -1.26 -4.58 114.28 105.73 1ulp n THR 21 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1ulp n THR 21 Cb 0.00 -0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 67.22 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 -0.08 -2.24 -2.23 3.42 8.00 -1.26 -4.96 116.55 117.19 1ulp n ASP 22 Ca -0.09 -2.81 -0.26 0.00 0.71 0.00 0.00 54.79 52.34 1ulp n ASP 22 Cb 0.36 0.92 0.02 0.00 -0.02 0.00 0.00 41.12 42.39 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulp n GLY 23 N 2.58 6.21 3.35 0.44 0.00 -1.26 -1.21 105.19 115.31 1ulp n GLY 23 Ca 0.20 -2.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.15 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 -0.63 2.39 -1.98 1.61 -0.04 -1.26 -4.78 135.00 130.30 1ulp n PRO 24 Ca 0.43 -2.69 -0.25 0.00 -0.04 0.00 0.00 63.50 60.96 1ulp n PRO 24 Cb 0.82 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.41 3.01 -0.33 1.53 1.43 -1.24 -4.25 118.68 124.24 1ulp s LEU 25 Ca 0.58 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1ulp s LEU 25 Cb 0.06 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1ulp s LEU 25 CO 0.07 -3.19 1.38 -1.81 0.23 0.00 0.00 176.35 173.04 1ulp s ASP 26 N 7.59 6.51 -0.00 2.29 1.01 -1.16 -4.69 116.67 128.22 1ulp s ASP 26 Ca 0.72 1.11 0.00 0.00 0.71 0.00 0.00 52.55 55.09 1ulp s ASP 26 Cb -0.04 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1ulp s ASP 26 CO 0.08 -1.24 0.00 0.35 0.21 0.00 0.00 175.17 174.58 1ulp n THR 27 N 6.56 0.03 -0.31 -1.27 -2.24 -1.26 -2.74 114.28 113.05 1ulp n THR 27 Ca 0.16 -0.02 0.35 0.00 -2.27 0.00 0.00 64.05 62.27 1ulp n THR 27 Cb 0.47 -0.85 0.68 0.00 -2.10 0.00 0.00 70.33 68.53 1ulp n THR 27 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ulp h SER 28 N 0.00 0.00 -0.15 3.42 4.64 -1.87 0.65 113.55 120.24 1ulp h SER 28 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1ulp h SER 28 Cb 0.93 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1ulp h SER 28 CO 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.77 1ulp h THR 29 N 0.00 1.35 0.00 2.95 1.03 -1.93 -3.48 112.91 112.84 1ulp h THR 29 Ca 0.56 -1.39 0.00 0.00 -0.01 0.00 0.00 66.41 65.57 1ulp h THR 29 Cb 2.57 1.92 0.00 0.00 -1.07 0.00 0.00 68.15 71.58 1ulp h THR 29 CO -0.01 0.41 0.00 0.61 -0.01 0.00 0.00 175.52 176.53 1ulp n GLY 30 N 0.28 -0.79 3.23 2.99 0.00 0.23 -5.07 105.19 106.05 1ulp n GLY 30 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.20 -0.94 -0.31 4.61 0.00 -1.25 -4.35 121.76 119.32 1ulp s ALA 31 Ca 0.00 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 1ulp s ALA 31 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 1ulp s ALA 31 CO 0.00 -0.24 1.83 -1.17 0.00 0.00 0.00 175.76 176.18 1ulp s LEU 32 N 1.26 3.53 -0.38 0.00 2.96 -0.32 -4.17 118.68 121.57 1ulp s LEU 32 Ca -0.09 1.40 -0.07 0.00 -0.22 0.00 0.00 54.13 55.16 1ulp s LEU 32 Cb -0.08 -3.52 0.07 0.00 0.50 0.00 0.00 46.19 43.15 1ulp s LEU 32 CO -0.11 -1.69 0.17 0.00 -1.32 0.00 0.00 176.35 173.40 1ulp s VAL 34 N 1.36 2.31 0.15 0.00 -7.23 -0.45 -2.98 120.40 113.56 1ulp s VAL 34 Ca 0.01 -0.49 0.10 0.00 -1.81 0.00 0.00 61.98 59.79 1ulp s VAL 34 Cb -0.21 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 1ulp s VAL 34 CO 0.01 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 174.58 1ulp s ALA 35 N -3.11 2.17 -0.16 1.32 0.00 -0.35 -3.10 121.76 118.53 1ulp s ALA 35 Ca 0.63 -1.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1ulp s ALA 35 Cb -0.08 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1ulp s ALA 35 CO 0.43 0.37 0.06 0.08 0.00 0.00 0.00 175.76 176.71 1ulp s VAL 36 N -1.56 0.15 0.33 0.00 1.01 -0.70 -4.46 120.40 115.16 1ulp s VAL 36 Ca 0.15 -0.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 1ulp s VAL 36 Cb -0.08 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1ulp s VAL 36 CO 0.07 -0.19 1.10 -2.16 0.00 0.00 0.00 175.10 173.92 1ulp s PRO 37 N 2.04 4.44 1.00 2.72 0.04 -1.26 -1.84 135.00 142.14 1ulp s PRO 37 Ca 0.01 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 1ulp s PRO 37 Cb -0.16 -2.96 -0.13 0.00 0.04 0.00 0.00 34.50 31.30 1ulp s PRO 37 CO -0.08 0.04 -0.87 0.00 0.04 0.00 0.00 177.00 176.14 1ulp n ALA 38 N 0.72 -5.20 -3.82 8.56 0.00 -1.26 -2.72 120.51 116.79 1ulp n ALA 38 Ca 0.01 -0.97 -0.23 0.00 0.00 0.00 0.00 53.44 52.25 1ulp n ALA 38 Cb 0.46 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1ulp n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulp n GLY 39 N 3.16 -0.26 1.64 0.00 0.00 -1.17 -4.80 105.19 103.75 1ulp n GLY 39 Ca -0.01 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1ulp n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ulp n SER 40 N -3.02 4.98 0.00 1.61 2.88 -1.10 -4.81 113.62 114.15 1ulp n SER 40 Ca -0.30 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 1ulp n SER 40 Cb 0.68 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ulp n ALA 41 N 0.37 0.00 -0.10 -1.46 0.00 -1.26 -1.84 120.51 116.21 1ulp n ALA 41 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1ulp n ALA 41 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1ulp n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp n GLN 42 N 0.00 0.00 -0.20 0.00 0.00 -1.26 0.00 117.38 115.92 1ulp n GLN 42 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.00 57.19 1ulp n GLN 42 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 30.24 30.59 1ulp n GLN 42 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1ulp n TYR 43 N 10.80 0.62 0.00 2.61 0.18 -1.26 -4.77 117.16 125.34 1ulp n TYR 43 Ca 0.00 0.62 0.00 0.00 1.88 0.00 0.00 57.90 60.40 1ulp n TYR 43 Cb 0.00 -1.05 0.00 0.00 -0.38 0.00 0.00 39.34 37.91 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ulp n GLY 44 N -1.18 -0.83 3.95 -7.48 0.00 0.10 -4.96 105.19 94.79 1ulp n GLY 44 Ca 0.22 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.29 3.01 0.00 1.61 1.01 -1.00 -4.74 120.40 119.00 1ulp s VAL 45 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ulp s VAL 45 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1ulp s VAL 45 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1ulp n GLY 46 N -2.50 1.96 3.59 4.51 0.00 -1.18 0.20 105.19 111.77 1ulp n GLY 46 Ca 0.06 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 1ulp n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 47 N -2.00 3.21 0.01 1.61 1.01 0.56 -1.42 120.40 123.38 1ulp s VAL 47 Ca 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.05 1ulp s VAL 47 Cb 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1ulp s VAL 47 CO 0.00 -0.27 0.09 0.68 0.00 0.00 0.00 175.10 175.60 1ulp s VAL 48 N -2.09 0.10 -0.36 2.92 -7.23 -0.59 -1.00 120.40 112.14 1ulp s VAL 48 Ca 0.28 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 1ulp s VAL 48 Cb -0.07 -0.45 0.14 0.00 0.56 0.00 0.00 36.38 36.56 1ulp s VAL 48 CO 0.17 -0.43 0.22 -0.22 -0.31 0.00 0.00 175.10 174.52 1ulp s LEU 49 N -1.49 1.22 0.13 1.32 2.96 -1.16 -1.97 118.68 119.69 1ulp s LEU 49 Ca -0.14 -2.25 -0.30 0.00 -0.22 0.00 0.00 54.13 51.21 1ulp s LEU 49 Cb -0.07 -0.49 -0.07 0.00 0.50 0.00 0.00 46.19 46.06 1ulp s LEU 49 CO 0.00 -0.30 1.21 0.21 -1.32 0.00 0.00 176.35 176.15 1ulp s ASN 50 N 0.96 7.07 0.00 3.68 2.47 -1.26 -2.75 114.94 125.11 1ulp s ASN 50 Ca 0.18 2.16 0.00 0.00 0.42 0.00 0.00 52.86 55.62 1ulp s ASN 50 Cb -0.23 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 36.98 1ulp s ASN 50 CO 0.01 -0.43 0.00 0.61 -3.72 0.00 0.00 177.10 173.57 1ulp n GLY 51 N 2.68 0.24 3.66 1.21 0.00 -1.24 -5.02 105.19 106.71 1ulp n GLY 51 Ca 0.07 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 1.80 -0.27 1.61 1.01 -0.78 -4.65 120.40 119.12 1ulp s VAL 52 Ca 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.95 1ulp s VAL 52 Cb 0.00 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.68 1ulp s VAL 52 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 175.10 175.21 1ulp s ALA 53 N -2.75 0.82 -0.37 5.51 0.00 -1.11 -4.20 121.76 119.66 1ulp s ALA 53 Ca 0.28 -1.09 0.13 0.00 0.00 0.00 0.00 51.96 51.28 1ulp s ALA 53 Cb 0.08 -1.38 0.45 0.00 0.00 0.00 0.00 23.12 22.27 1ulp s ALA 53 CO 0.14 -1.56 1.02 -0.89 0.00 0.00 0.00 175.76 174.48 1ulp n ILE 54 N 5.15 1.58 -2.37 0.00 2.08 -1.09 -4.44 119.36 120.27 1ulp n ILE 54 Ca -0.06 -3.82 -0.40 0.00 0.56 0.00 0.00 62.75 59.03 1ulp n ILE 54 Cb 0.43 -0.12 -0.04 0.00 -0.75 0.00 0.00 39.64 39.16 1ulp n ILE 54 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1ulp s GLU 55 N -3.31 4.56 0.13 0.38 2.12 -1.25 -2.19 118.70 119.13 1ulp s GLU 55 Ca 0.36 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.61 1ulp s GLU 55 Cb 0.43 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1ulp s GLU 55 CO -0.05 0.09 0.00 -1.91 -0.54 0.00 0.00 175.26 172.85 1ulp n GLU 56 N 1.09 -1.03 -3.42 4.30 0.00 0.41 -4.60 120.64 117.38 1ulp n GLU 56 Ca -0.01 0.70 -0.44 0.00 0.00 0.00 0.00 57.16 57.41 1ulp n GLU 56 Cb 0.44 -1.26 -0.04 0.00 0.00 0.00 0.00 31.44 30.59 1ulp n GLU 56 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulp s GLY 57 N -4.18 2.66 0.00 8.31 0.00 -1.24 -2.70 107.32 110.18 1ulp s GLY 57 Ca 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 44.72 41.37 1ulp s GLY 57 CO 0.00 1.23 0.00 -0.37 0.00 0.00 0.00 173.10 173.96 1ulp n THR 58 N 3.77 0.00 -3.44 0.90 5.66 -1.12 -4.87 114.28 115.18 1ulp n THR 58 Ca 0.13 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.70 1ulp n THR 58 Cb 0.44 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.19 1ulp n THR 58 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1ulp s THR 59 N -0.12 5.23 -0.33 1.09 2.01 -1.26 -1.48 115.64 120.79 1ulp s THR 59 Ca 0.00 -2.99 -0.24 0.00 0.31 0.00 0.00 61.69 58.77 1ulp s THR 59 Cb 0.00 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.29 1ulp s THR 59 CO 0.00 -1.05 0.83 -0.31 -0.69 0.00 0.00 174.62 173.40 1ulp s TYR 60 N -0.45 3.16 -0.35 4.92 1.51 -0.90 -1.62 117.35 123.62 1ulp s TYR 60 Ca 0.22 0.79 -0.21 0.00 -1.01 0.00 0.00 57.07 56.86 1ulp s TYR 60 Cb -0.11 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.39 1ulp s TYR 60 CO -0.08 -0.65 0.67 0.99 -1.11 0.00 0.00 175.55 175.37 1ulp s THR 61 N 3.11 4.85 -0.23 -0.71 2.01 -1.25 -3.51 115.64 119.91 1ulp s THR 61 Ca 0.34 0.68 -0.20 0.00 0.31 0.00 0.00 61.69 62.82 1ulp s THR 61 Cb -0.13 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1ulp s THR 61 CO 0.14 -0.34 0.62 -0.22 -0.69 0.00 0.00 174.62 174.14 1ulp s LEU 62 N 2.80 4.10 -0.15 4.42 2.96 -1.05 -4.17 118.68 127.60 1ulp s LEU 62 Ca 0.26 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.93 1ulp s LEU 62 Cb -0.14 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.72 1ulp s LEU 62 CO 0.15 -0.32 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.56 1ulp s ARG 63 N 2.24 2.59 -0.23 1.98 0.52 -1.15 -2.91 118.95 121.99 1ulp s ARG 63 Ca 0.27 -0.68 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 1ulp s ARG 63 Cb -0.16 -2.25 0.07 0.00 0.52 0.00 0.00 34.95 33.13 1ulp s ARG 63 CO 0.09 -0.16 0.70 1.52 0.02 0.00 0.00 175.30 177.47 1ulp s TYR 64 N 1.24 -0.75 -0.40 -0.53 -0.85 -0.60 -2.67 117.35 112.78 1ulp s TYR 64 Ca 0.01 1.76 0.03 0.00 -0.52 0.00 0.00 57.07 58.36 1ulp s TYR 64 Cb -0.14 0.29 0.11 0.00 0.38 0.00 0.00 41.96 42.60 1ulp s TYR 64 CO -0.08 -0.41 0.13 0.99 -1.52 0.00 0.00 175.55 174.66 1ulp s THR 65 N 0.13 2.49 0.19 -3.49 2.01 -1.26 0.40 115.64 116.11 1ulp s THR 65 Ca -0.02 -2.61 -0.01 0.00 0.31 0.00 0.00 61.69 59.37 1ulp s THR 65 Cb -0.04 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1ulp s THR 65 CO 0.02 -0.67 0.37 0.00 -0.69 0.00 0.00 174.62 173.66 1ulp s ALA 66 N 0.57 3.85 -0.17 7.40 0.00 -0.73 -3.27 121.76 129.40 1ulp s ALA 66 Ca 0.13 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 1ulp s ALA 66 Cb -0.21 -1.98 0.08 0.00 0.00 0.00 0.00 23.12 21.00 1ulp s ALA 66 CO -0.05 0.48 0.37 0.99 0.00 0.00 0.00 175.76 177.54 1ulp s THR 67 N -1.83 -0.46 -0.03 0.00 2.01 -0.77 -2.47 115.64 112.09 1ulp s THR 67 Ca 0.38 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.58 1ulp s THR 67 Cb -0.11 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1ulp s THR 67 CO 0.29 0.08 -0.02 0.00 -0.69 0.00 0.00 174.62 174.28 1ulp s ALA 68 N 2.31 3.21 0.64 7.40 0.00 -0.97 -0.99 121.76 133.37 1ulp s ALA 68 Ca -0.02 -0.92 0.26 0.00 0.00 0.00 0.00 51.96 51.28 1ulp s ALA 68 Cb -0.11 -1.34 1.39 0.00 0.00 0.00 0.00 23.12 23.06 1ulp s ALA 68 CO -0.11 0.62 1.79 1.03 0.00 0.00 0.00 175.76 179.09 1ulp h SER 69 N 4.68 0.00 -1.82 0.00 0.87 -1.75 -2.91 113.55 112.61 1ulp h SER 69 Ca -0.49 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.45 1ulp h SER 69 Cb 1.18 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.01 1ulp h SER 69 CO 0.56 0.00 -0.64 0.28 -0.53 0.00 0.00 176.83 176.50 1ulp s THR 70 N -4.26 2.20 -1.37 2.23 -1.32 -1.26 -4.21 115.64 107.66 1ulp s THR 70 Ca -0.03 -2.09 -0.14 0.00 -1.21 0.00 0.00 61.69 58.22 1ulp s THR 70 Cb 0.10 -2.80 0.08 0.00 -1.51 0.00 0.00 72.50 68.37 1ulp s THR 70 CO 0.34 -0.12 1.97 0.47 -2.21 0.00 0.00 174.62 175.07 1ulp n ASP 71 N -0.89 4.47 -4.89 8.08 9.92 -1.26 -3.26 116.55 128.72 1ulp n ASP 71 Ca -0.05 -2.92 -0.34 0.00 -0.53 0.00 0.00 54.79 50.95 1ulp n ASP 71 Cb 0.65 -1.65 -0.05 0.00 -0.64 0.00 0.00 41.12 39.43 1ulp n ASP 71 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ulp s VAL 72 N 2.87 5.33 -0.43 2.53 0.11 -1.21 -4.83 120.40 124.78 1ulp s VAL 72 Ca 0.47 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.63 1ulp s VAL 72 Cb 0.09 -3.56 0.13 0.00 -1.53 0.00 0.00 36.38 31.51 1ulp s VAL 72 CO -0.02 0.35 0.22 -0.89 -3.33 0.00 0.00 175.10 171.43 1ulp s THR 73 N -1.31 1.49 0.00 5.04 2.01 -1.26 -0.44 115.64 121.17 1ulp s THR 73 Ca 0.28 -2.51 0.00 0.00 0.31 0.00 0.00 61.69 59.76 1ulp s THR 73 Cb -0.13 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.33 1ulp s THR 73 CO 0.17 -0.86 0.00 1.33 -0.69 0.00 0.00 174.62 174.57 1ulp n VAL 74 N 3.64 0.00 -4.07 3.82 0.24 -1.26 -4.87 118.33 115.83 1ulp n VAL 74 Ca 0.07 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.05 1ulp n VAL 74 Cb 0.35 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.56 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 1.99 2.58 0.09 7.34 1.81 -1.19 -3.67 118.95 127.89 1ulp s ARG 75 Ca 0.00 -0.80 0.09 0.00 -1.72 0.00 0.00 55.73 53.30 1ulp s ARG 75 Cb 0.00 -2.44 -0.03 0.00 -0.45 0.00 0.00 34.95 32.03 1ulp s ARG 75 CO 0.00 -0.28 -0.23 0.00 -0.68 0.00 0.00 175.30 174.11 1ulp s ALA 76 N 1.35 2.00 0.00 2.13 0.00 -0.41 -1.46 121.76 125.36 1ulp s ALA 76 Ca 0.03 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1ulp s ALA 76 Cb -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1ulp s ALA 76 CO -0.11 0.44 0.00 1.47 0.00 0.00 0.00 175.76 177.56 1ulp n LEU 77 N 1.33 0.00 -4.07 0.00 -0.00 -1.08 -2.88 117.00 110.30 1ulp n LEU 77 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.72 1ulp n LEU 77 Cb 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 1ulp n LEU 77 CO 0.23 0.00 0.05 -0.69 -0.00 0.00 0.00 177.39 176.98 1ulp s VAL 78 N -4.00 0.00 0.08 1.47 1.01 -1.26 -2.88 120.40 114.82 1ulp s VAL 78 Ca 0.00 -1.61 -0.21 0.00 0.00 0.00 0.00 61.98 60.16 1ulp s VAL 78 Cb 0.00 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 34.11 1ulp s VAL 78 CO 0.00 0.00 0.98 0.61 0.00 0.00 0.00 175.10 176.69 1ulp n GLY 79 N -0.37 0.51 0.00 4.51 0.00 -1.16 -3.69 105.19 104.98 1ulp n GLY 79 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1ulp n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ulp n GLN 80 N -0.70 3.59 -2.72 1.61 7.27 -0.86 -1.89 117.38 123.69 1ulp n GLN 80 Ca 0.01 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 1ulp n GLN 80 Cb 0.50 0.00 0.08 0.00 2.41 0.00 0.00 30.24 33.23 1ulp n GLN 80 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1ulp n ASN 81 N 0.00 -2.24 0.00 1.69 4.13 0.55 -4.28 115.26 115.11 1ulp n ASN 81 Ca 0.00 -3.09 0.00 0.00 1.68 0.00 0.00 54.58 53.17 1ulp n ASN 81 Cb 0.00 1.66 0.00 0.00 -1.54 0.00 0.00 39.78 39.90 1ulp n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ulp n GLY 82 N 0.91 4.45 3.24 7.41 0.00 -1.26 -2.85 105.19 117.08 1ulp n GLY 82 Ca 0.05 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.68 -3.19 1.73 4.61 0.00 -1.26 -1.24 120.51 119.49 1ulp n ALA 83 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ulp n ALA 83 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.42 1.02 -1.35 0.00 -0.04 -1.26 -4.67 135.00 130.11 1ulp n PRO 84 Ca 0.07 -0.02 0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 84 Cb 0.48 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.36 -3.70 0.00 0.54 4.01 -0.37 -5.07 117.16 112.21 1ulp n TYR 85 Ca 0.00 2.01 0.00 0.00 -0.16 0.00 0.00 57.90 59.75 1ulp n TYR 85 Cb 0.07 -3.19 0.00 0.00 -0.31 0.00 0.00 39.34 35.91 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 -2.57 1.41 3.70 2.72 0.00 -1.26 -4.99 105.19 104.20 1ulp n GLY 86 Ca -0.01 0.26 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.15 3.91 0.00 2.61 -4.23 -1.26 -2.02 115.64 114.50 1ulp s THR 87 Ca 0.00 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1ulp s THR 87 Cb 0.00 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1ulp s THR 87 CO 0.00 -0.13 0.00 1.33 -0.54 0.00 0.00 174.62 175.28 1ulp n VAL 88 N -0.25 0.00 -4.50 2.29 0.24 -1.24 -4.94 118.33 109.93 1ulp n VAL 88 Ca -0.09 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.89 1ulp n VAL 88 Cb 0.55 0.15 -0.11 0.00 -1.47 0.00 0.00 33.84 32.96 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 -2.39 3.08 -0.42 1.34 1.02 -1.26 -4.87 118.68 115.18 1ulp s LEU 89 Ca 0.00 -0.18 0.05 0.00 0.02 0.00 0.00 54.13 54.02 1ulp s LEU 89 Cb 0.00 -1.77 0.17 0.00 0.02 0.00 0.00 46.19 44.61 1ulp s LEU 89 CO 0.00 0.28 0.49 -0.62 0.02 0.00 0.00 176.35 176.52 1ulp s ASP 90 N -1.39 0.22 0.28 2.29 -1.08 -1.26 -4.08 116.67 111.64 1ulp s ASP 90 Ca 0.16 -1.80 -0.07 0.00 -0.52 0.00 0.00 52.55 50.33 1ulp s ASP 90 Cb -0.11 0.88 0.03 0.00 -1.46 0.00 0.00 42.92 42.26 1ulp s ASP 90 CO 0.07 -0.18 0.49 0.35 0.52 0.00 0.00 175.17 176.42 1ulp n THR 91 N 3.69 0.00 -4.99 1.71 -2.24 -1.14 -5.07 114.28 106.23 1ulp n THR 91 Ca 0.16 -1.00 -0.28 0.00 -2.27 0.00 0.00 64.05 60.66 1ulp n THR 91 Cb 0.50 0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.58 2.52 -1.28 3.42 0.01 -1.26 -1.29 113.70 113.23 1ulp s SER 92 Ca 0.16 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 56.81 1ulp s SER 92 Cb -0.02 -0.80 0.04 0.00 0.21 0.00 0.00 66.02 65.45 1ulp s SER 92 CO 0.12 0.17 1.78 -0.81 0.41 0.00 0.00 173.24 174.91 1ulp n PRO 93 N 3.19 2.93 -1.59 12.44 -0.04 -1.24 -4.85 135.00 145.84 1ulp n PRO 93 Ca -0.18 -3.13 -0.48 0.00 -0.04 0.00 0.00 63.50 59.66 1ulp n PRO 93 Cb 0.53 -3.53 -0.04 0.00 -0.04 0.00 0.00 33.50 30.41 1ulp n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 94 N 9.33 -0.53 -2.39 0.55 0.00 -1.26 -4.27 120.51 121.94 1ulp n ALA 94 Ca 0.48 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 54.19 1ulp n ALA 94 Cb 0.46 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 1ulp n ALA 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s LEU 95 N 0.58 1.90 0.00 0.00 1.43 0.42 -4.90 118.68 118.10 1ulp s LEU 95 Ca 0.72 -1.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.21 1ulp s LEU 95 Cb -0.82 -0.16 0.07 0.00 0.03 0.00 0.00 46.19 45.31 1ulp s LEU 95 CO 0.52 -0.70 0.97 1.07 0.23 0.00 0.00 176.35 178.45 1ulp n THR 96 N -0.59 0.00 0.60 5.49 5.66 -1.20 -3.28 114.28 120.96 1ulp n THR 96 Ca -0.01 -0.39 0.07 0.00 -3.05 0.00 0.00 64.05 60.66 1ulp n THR 96 Cb 0.66 0.63 0.33 0.00 -1.55 0.00 0.00 70.33 70.40 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 -1.14 0.00 -4.85 1.09 2.88 -1.10 -2.29 113.62 108.21 1ulp n SER 97 Ca -0.00 0.16 -0.25 0.00 -1.33 0.00 0.00 58.87 57.45 1ulp n SER 97 Cb 0.51 -0.32 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulp s GLU 98 N -2.64 2.31 0.04 -1.46 8.01 -1.26 -4.95 118.70 118.74 1ulp s GLU 98 Ca 0.12 -1.88 -0.30 0.00 0.01 0.00 0.00 54.97 52.91 1ulp s GLU 98 Cb 0.09 -2.11 -0.06 0.00 -4.31 0.00 0.00 34.13 27.74 1ulp s GLU 98 CO 0.21 -0.39 1.29 -1.25 0.01 0.00 0.00 175.26 175.13 1ulp s PRO 99 N -4.14 4.36 -0.48 0.39 0.04 -1.26 -4.65 135.00 129.25 1ulp s PRO 99 Ca 0.38 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.33 1ulp s PRO 99 Cb -0.01 -3.42 0.12 0.00 0.04 0.00 0.00 34.50 31.24 1ulp s PRO 99 CO 0.22 -0.41 0.22 1.03 0.04 0.00 0.00 177.00 178.10 1ulp s ARG 100 N 1.59 1.89 0.57 4.56 0.52 -1.03 -5.03 118.95 122.02 1ulp s ARG 100 Ca 0.61 -2.47 -0.16 0.00 -0.52 0.00 0.00 55.73 53.19 1ulp s ARG 100 Cb -0.31 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.80 1ulp s ARG 100 CO 0.28 -1.08 1.05 -1.14 0.02 0.00 0.00 175.30 174.43 1ulp s GLN 101 N -0.03 3.46 -0.01 3.54 0.74 -1.26 -1.78 119.66 124.31 1ulp s GLN 101 Ca 0.16 1.19 0.00 0.00 0.05 0.00 0.00 55.36 56.76 1ulp s GLN 101 Cb -0.24 -2.05 0.02 0.00 1.10 0.00 0.00 33.01 31.83 1ulp s GLN 101 CO -0.02 -0.69 0.01 0.08 -0.55 0.00 0.00 175.29 174.12 1ulp s VAL 102 N -2.42 0.01 -0.18 1.34 1.01 0.16 -4.89 120.40 115.44 1ulp s VAL 102 Ca 0.63 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1ulp s VAL 102 Cb -0.15 -0.10 0.09 0.00 0.00 0.00 0.00 36.38 36.22 1ulp s VAL 102 CO 0.34 0.07 0.36 0.42 0.00 0.00 0.00 175.10 176.29 1ulp s THR 103 N 0.66 -0.56 0.03 3.92 -4.23 -1.26 -1.56 115.64 112.64 1ulp s THR 103 Ca -0.06 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 1ulp s THR 103 Cb -0.08 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 1ulp s THR 103 CO -0.02 0.07 -0.01 -1.61 -0.54 0.00 0.00 174.62 172.51 1ulp s GLU 104 N 2.54 0.43 -0.88 3.99 2.02 -1.14 -5.01 118.70 120.65 1ulp s GLU 104 Ca 0.01 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1ulp s GLU 104 Cb -0.12 0.15 0.28 0.00 0.10 0.00 0.00 34.13 34.54 1ulp s GLU 104 CO -0.12 -0.08 1.11 2.41 0.02 0.00 0.00 175.26 178.61 1ulp n THR 105 N 1.11 3.89 -3.06 3.63 -1.04 -1.26 -2.52 114.28 115.03 1ulp n THR 105 Ca -0.21 -5.57 -0.35 0.00 -2.04 0.00 0.00 64.05 55.88 1ulp n THR 105 Cb 0.57 -2.11 -0.06 0.00 -1.82 0.00 0.00 70.33 66.91 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 -2.56 3.54 -0.59 -1.42 -0.12 -1.23 -4.89 117.98 110.71 1ulp s PHE 106 Ca 0.35 1.38 -0.22 0.00 -0.05 0.00 0.00 56.93 58.40 1ulp s PHE 106 Cb 0.08 -2.64 0.07 0.00 -0.63 0.00 0.00 43.02 39.90 1ulp s PHE 106 CO 0.04 0.22 0.85 0.99 -0.05 0.00 0.00 175.22 177.26 1ulp s THR 107 N -1.72 4.53 -0.74 -4.49 2.01 -1.26 -2.12 115.64 111.86 1ulp s THR 107 Ca 0.48 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 1ulp s THR 107 Cb -0.14 -4.54 -0.03 0.00 0.01 0.00 0.00 72.50 67.80 1ulp s THR 107 CO 0.20 -1.18 1.88 0.00 -0.69 0.00 0.00 174.62 174.83 1ulp s ALA 108 N 3.52 1.97 -1.41 7.40 0.00 -0.55 -4.78 121.76 127.92 1ulp s ALA 108 Ca 0.21 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 1ulp s ALA 108 Cb -0.17 -4.41 0.03 0.00 0.00 0.00 0.00 23.12 18.56 1ulp s ALA 108 CO 0.12 -4.27 2.65 -1.13 0.00 0.00 0.00 175.76 173.14 1ulp n SER 109 N 13.17 8.28 0.00 0.00 3.41 -1.26 -2.81 113.62 134.41 1ulp n SER 109 Ca 0.28 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1ulp n SER 109 Cb 0.50 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1ulp n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 110 N 2.48 0.00 -3.43 7.33 0.00 -1.10 -4.82 120.51 120.96 1ulp n ALA 110 Ca 0.69 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 1ulp n ALA 110 Cb 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.77 -0.43 -0.88 0.00 2.01 -0.93 -0.44 115.64 113.20 1ulp s THR 111 Ca 0.00 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 1ulp s THR 111 Cb 0.00 -0.78 0.26 0.00 0.01 0.00 0.00 72.50 71.99 1ulp s THR 111 CO 0.00 -0.23 0.99 -1.22 -0.69 0.00 0.00 174.62 173.47 1ulp n TYR 112 N 5.33 3.50 0.00 4.92 4.01 -1.08 -4.59 117.16 129.26 1ulp n TYR 112 Ca -0.04 -3.68 0.00 0.00 -0.16 0.00 0.00 57.90 54.02 1ulp n TYR 112 Cb 0.49 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 1ulp n TYR 112 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ulp n PRO 113 N 1.58 1.15 -2.30 -0.72 -0.04 -1.26 -2.68 135.00 130.73 1ulp n PRO 113 Ca 0.25 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1ulp n PRO 113 Cb 0.37 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.88 1ulp n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 114 N -3.00 2.71 -3.56 0.55 0.00 -1.26 -2.57 120.51 113.37 1ulp n ALA 114 Ca 0.00 -2.11 -0.40 0.00 0.00 0.00 0.00 53.44 50.92 1ulp n ALA 114 Cb 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.75 4.54 -0.38 0.00 2.01 -1.26 -5.03 115.64 113.77 1ulp s THR 115 Ca 0.23 -2.97 -0.29 0.00 0.31 0.00 0.00 61.69 58.97 1ulp s THR 115 Cb 0.33 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1ulp s THR 115 CO -0.08 -0.97 1.52 -2.16 -0.69 0.00 0.00 174.62 172.23 1ulp s PRO 116 N -0.25 3.53 0.01 4.92 0.04 -1.25 -4.20 135.00 137.78 1ulp s PRO 116 Ca 0.20 1.11 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 1ulp s PRO 116 Cb -0.15 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1ulp s PRO 116 CO -0.07 -1.62 0.01 0.00 0.04 0.00 0.00 177.00 175.36 1ulp n ALA 117 N 9.17 -0.01 0.87 8.56 0.00 -1.20 -4.93 120.51 132.96 1ulp n ALA 117 Ca 0.18 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1ulp n ALA 117 Cb 0.47 0.02 0.51 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.96 2.07 -1.87 0.00 0.00 -1.26 -3.71 120.51 112.78 1ulp n ALA 118 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ulp n ALA 118 Cb 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1ulp n ALA 118 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ulp n ASP 119 N -1.42 0.00 -4.05 0.00 5.75 -1.26 -5.03 116.55 110.54 1ulp n ASP 119 Ca 0.07 -1.28 -0.35 0.00 -0.01 0.00 0.00 54.79 53.23 1ulp n ASP 119 Cb 0.23 -0.06 -0.11 0.00 -1.03 0.00 0.00 41.12 40.16 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1ulp s ASP 120 N -0.28 4.97 0.43 -1.12 1.11 -1.24 -5.08 116.67 115.46 1ulp s ASP 120 Ca 0.00 -2.91 -0.23 0.00 0.18 0.00 0.00 52.55 49.60 1ulp s ASP 120 Cb 0.00 -1.79 -0.08 0.00 1.07 0.00 0.00 42.92 42.12 1ulp s ASP 120 CO 0.00 -0.33 1.07 -2.16 1.18 0.00 0.00 175.17 174.94 1ulp s PRO 121 N -0.14 3.98 0.00 8.23 0.04 -1.26 -3.27 135.00 142.58 1ulp s PRO 121 Ca 0.17 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1ulp s PRO 121 Cb -0.22 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1ulp s PRO 121 CO -0.02 -0.31 0.00 -0.85 0.04 0.00 0.00 177.00 175.85 1ulp n GLU 122 N -0.39 3.18 -3.72 4.56 0.00 -1.13 -4.48 120.64 118.65 1ulp n GLU 122 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.09 1ulp n GLU 122 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.86 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ulp s GLY 123 N 0.00 -0.22 0.00 -1.84 0.00 -1.06 0.21 107.32 104.40 1ulp s GLY 123 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1ulp s GLY 123 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.91 1ulp n GLN 124 N 1.10 0.00 -4.79 2.90 10.64 -0.79 -1.86 117.38 124.58 1ulp n GLN 124 Ca -0.21 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.66 1ulp n GLN 124 Cb 0.57 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 -0.70 2.41 -0.16 -0.39 1.01 -1.11 -2.99 121.20 119.26 1ulp s ILE 125 Ca 0.00 -1.32 0.01 0.00 0.00 0.00 0.00 60.65 59.34 1ulp s ILE 125 Cb 0.00 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1ulp s ILE 125 CO 0.00 0.35 -0.18 0.00 0.00 0.00 0.00 174.94 175.11 1ulp s ALA 126 N -0.86 2.09 -0.40 9.38 0.00 -1.14 -3.00 121.76 127.83 1ulp s ALA 126 Ca 0.13 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1ulp s ALA 126 Cb -0.10 -1.08 0.11 0.00 0.00 0.00 0.00 23.12 22.05 1ulp s ALA 126 CO 0.03 -0.30 0.12 -0.06 0.00 0.00 0.00 175.76 175.56 1ulp s PHE 127 N 1.28 3.60 -0.96 0.00 0.40 -0.17 -2.63 117.98 119.49 1ulp s PHE 127 Ca 0.02 -3.01 -0.19 0.00 -0.60 0.00 0.00 56.93 53.16 1ulp s PHE 127 Cb -0.13 -2.93 0.13 0.00 0.51 0.00 0.00 43.02 40.60 1ulp s PHE 127 CO -0.10 -0.89 1.17 -0.65 0.70 0.00 0.00 175.22 175.45 1ulp s GLN 128 N 0.58 3.64 -0.49 0.44 -0.21 -0.54 -0.32 119.66 122.76 1ulp s GLN 128 Ca 0.13 -1.80 -0.05 0.00 0.02 0.00 0.00 55.36 53.66 1ulp s GLN 128 Cb -0.21 -4.96 -0.02 0.00 1.00 0.00 0.00 33.01 28.82 1ulp s GLN 128 CO -0.06 -1.80 2.95 1.28 -2.12 0.00 0.00 175.29 175.54 1ulp n LEU 129 N 6.61 6.45 -4.24 2.90 4.77 0.53 -3.14 117.00 130.87 1ulp n LEU 129 Ca 0.26 -3.96 -0.21 0.00 -0.03 0.00 0.00 56.01 52.07 1ulp n LEU 129 Cb 0.49 -1.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.15 1ulp n LEU 129 CO 0.52 1.78 -0.48 -0.83 -1.33 0.00 0.00 177.39 177.05 1ulp s GLY 130 N 0.83 1.09 -1.00 -0.72 0.00 -0.74 -2.37 107.32 104.42 1ulp s GLY 130 Ca 0.61 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.03 1ulp s GLY 130 CO -0.15 -1.20 0.76 0.61 0.00 0.00 0.00 173.10 173.12 1ulp n GLY 131 N 1.02 -1.12 0.24 0.20 0.00 -0.77 -4.86 105.19 99.91 1ulp n GLY 131 Ca -0.19 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.34 -0.12 -3.32 1.61 3.72 -1.26 -5.02 117.46 109.73 1ulp n PHE 132 Ca -0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.94 1ulp n PHE 132 Cb 0.59 0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 39.13 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp s SER 133 N 0.90 6.87 0.00 4.37 0.15 -1.26 -4.90 113.70 119.83 1ulp s SER 133 Ca 0.00 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1ulp s SER 133 Cb 0.00 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1ulp s SER 133 CO 0.00 0.10 0.00 0.00 1.20 0.00 0.00 173.24 174.54 1ulp n ALA 134 N 0.85 0.00 -1.14 5.45 0.00 -1.26 -4.56 120.51 119.85 1ulp n ALA 134 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1ulp n ALA 134 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.33 -4.06 -4.68 0.00 9.92 -1.26 -3.04 116.55 113.10 1ulp n ASP 135 Ca 0.00 0.45 -0.45 0.00 -0.53 0.00 0.00 54.79 54.26 1ulp n ASP 135 Cb 0.00 -0.90 -0.04 0.00 -0.64 0.00 0.00 41.12 39.55 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ulp n ALA 136 N -2.13 1.61 -3.33 2.24 0.00 -1.26 -4.62 120.51 113.03 1ulp n ALA 136 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1ulp n ALA 136 Cb 0.51 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 5.66 0.00 -3.81 0.00 2.14 -0.77 -4.77 117.44 115.89 1ulp n TRP 137 Ca 0.19 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.68 1ulp n TRP 137 Cb 0.34 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 30.86 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 -1.20 0.00 0.09 -1.67 2.01 -1.26 -1.73 115.64 111.88 1ulp s THR 138 Ca 0.00 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1ulp s THR 138 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1ulp s THR 138 CO 0.00 0.00 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.08 1ulp s LEU 139 N -3.10 2.41 -0.31 4.42 1.02 -1.18 -3.63 118.68 118.31 1ulp s LEU 139 Ca 0.16 -0.82 0.02 0.00 0.02 0.00 0.00 54.13 53.51 1ulp s LEU 139 Cb -0.05 -0.24 0.15 0.00 0.02 0.00 0.00 46.19 46.07 1ulp s LEU 139 CO 0.11 -0.30 0.38 0.00 0.02 0.00 0.00 176.35 176.56 1ulp n LEU 141 N 5.10 0.00 0.00 0.00 4.77 0.20 -1.85 117.00 125.22 1ulp n LEU 141 Ca 0.02 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 1ulp n LEU 141 Cb 0.48 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1ulp n LEU 141 CO 0.01 -0.93 0.00 -0.90 -1.33 0.00 0.00 177.39 174.24 1ulp n ASP 142 N -3.09 0.00 0.00 -1.43 5.68 -1.20 -1.17 116.55 115.34 1ulp n ASP 142 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1ulp n ASP 142 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 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 -4.46 -1.12 2.03 -1.20 -4.05 116.55 107.75 1ulp n ASP 143 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 1ulp n ASP 143 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 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 4.25 -0.01 5.18 1.01 -0.24 -2.78 120.40 127.81 1ulp s VAL 144 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 1ulp s VAL 144 Cb 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ulp s VAL 144 CO 0.00 0.38 0.39 0.00 0.00 0.00 0.00 175.10 175.86 1ulp s ALA 145 N 1.32 -0.97 0.06 5.51 0.00 -1.09 -2.88 121.76 123.71 1ulp s ALA 145 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1ulp s ALA 145 Cb -0.15 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1ulp s ALA 145 CO 0.03 -0.31 -0.04 -1.17 0.00 0.00 0.00 175.76 174.26 1ulp s LEU 146 N -1.44 2.47 0.00 0.00 2.96 -1.26 -2.95 118.68 118.45 1ulp s LEU 146 Ca -0.12 -0.95 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 1ulp s LEU 146 Cb -0.03 0.09 0.00 0.00 0.50 0.00 0.00 46.19 46.75 1ulp s LEU 146 CO 0.04 -0.52 0.00 -0.67 -1.32 0.00 0.00 176.35 173.88 1ulp n ASP 147 N 0.23 0.00 -3.46 3.68 -0.08 -1.26 -4.76 116.55 110.90 1ulp n ASP 147 Ca -0.15 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.03 1ulp n ASP 147 Cb 0.60 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.97 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ulp s SER 148 N 2.00 0.26 -0.75 1.67 0.15 -1.25 -3.90 113.70 111.89 1ulp s SER 148 Ca 0.00 0.38 -0.07 0.00 0.70 0.00 0.00 55.95 56.96 1ulp s SER 148 Cb 0.00 1.05 0.01 0.00 -1.71 0.00 0.00 66.02 65.37 1ulp s SER 148 CO 0.00 -0.28 0.62 1.21 1.20 0.00 0.00 173.24 175.99 1ulp n GLU 149 N 5.36 -1.61 -1.98 5.44 2.13 -0.64 -4.88 120.64 124.47 1ulp n GLU 149 Ca -0.05 0.98 -0.26 0.00 0.66 0.00 0.00 57.16 58.50 1ulp n GLU 149 Cb 0.50 -2.70 0.03 0.00 0.27 0.00 0.00 31.44 29.53 1ulp n GLU 149 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ulp n VAL 150 N -2.07 2.65 -4.20 6.31 0.24 -1.26 -5.03 118.33 114.97 1ulp n VAL 150 Ca -0.24 -4.14 -0.09 0.00 -2.04 0.00 0.00 64.34 57.83 1ulp n VAL 150 Cb 0.67 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 31.86 1ulp n VAL 150 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1ulp n GLU 151 N -0.71 1.62 -0.08 7.34 1.02 -1.26 -5.21 120.64 123.36 1ulp n GLU 151 Ca 0.46 -1.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 1ulp n GLU 151 Cb 0.90 0.28 0.00 0.00 -0.02 0.00 0.00 31.44 32.60 1ulp n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59