#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 0.08 -4.58 0.00 2.88 -1.26 -4.76 113.62 105.99 1ulp n SER 2 Ca 0.00 -1.12 -0.32 0.00 -1.33 0.00 0.00 58.87 56.10 1ulp n SER 2 Cb 0.00 -2.45 -0.04 0.00 -0.75 0.00 0.00 64.21 60.97 1ulp n SER 2 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ulp s PRO 3 N -6.90 2.93 -0.57 -1.46 0.04 -1.25 -4.50 135.00 123.29 1ulp s PRO 3 Ca 0.04 -1.34 0.01 0.00 0.04 0.00 0.00 61.00 59.75 1ulp s PRO 3 Cb -0.02 -5.32 0.43 0.00 0.04 0.00 0.00 34.50 29.64 1ulp s PRO 3 CO 0.94 -3.44 1.69 0.44 0.04 0.00 0.00 177.00 176.67 1ulp n ILE 4 N 7.41 3.18 -2.81 0.56 -5.35 -1.26 -4.84 119.36 116.24 1ulp n ILE 4 Ca 0.45 -3.75 -0.07 0.00 -0.27 0.00 0.00 62.75 59.11 1ulp n ILE 4 Cb 0.47 -1.18 0.02 0.00 -1.74 0.00 0.00 39.64 37.21 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 -0.75 0.49 3.51 3.28 0.00 -1.26 -4.65 105.19 105.80 1ulp n GLY 5 Ca 0.53 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.88 0.08 -1.82 1.61 2.13 -1.22 -4.48 120.64 115.06 1ulp n GLU 6 Ca -0.00 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1ulp n GLU 6 Cb 0.52 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.78 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 5.96 -0.53 2.15 8.31 0.00 -1.26 -4.94 105.19 114.89 1ulp n GLY 7 Ca 0.65 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 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 7.43 3.23 -3.40 2.61 -2.24 -1.24 0.78 114.28 121.46 1ulp n THR 8 Ca 0.00 -3.13 -0.33 0.00 -2.27 0.00 0.00 64.05 58.32 1ulp n THR 8 Cb 0.00 -1.02 0.03 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.91 -2.63 -1.11 4.78 3.72 -1.26 -4.65 117.46 115.40 1ulp n PHE 9 Ca 0.56 1.10 0.02 0.00 -0.05 0.00 0.00 57.45 59.07 1ulp n PHE 9 Cb 0.87 -2.01 0.26 0.00 -0.94 0.00 0.00 39.48 37.66 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 -0.09 3.86 0.00 4.37 5.68 -1.26 -4.58 116.55 124.54 1ulp n ASP 10 Ca -0.06 -3.24 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 1ulp n ASP 10 Cb 0.64 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1ulp n ASP 10 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ulp n ASP 11 N -0.53 0.00 -1.80 -1.12 8.00 -1.26 -5.09 116.55 114.75 1ulp n ASP 11 Ca 0.29 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.78 1ulp n ASP 11 Cb 1.06 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 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 -3.75 3.49 0.44 0.00 -1.26 -4.79 105.19 99.32 1ulp n GLY 12 Ca 0.00 0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 2.11 0.00 1.61 -0.04 -1.26 -4.85 135.00 133.15 1ulp n PRO 13 Ca -0.12 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 1ulp n PRO 13 Cb 0.19 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 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 8.07 0.00 -0.13 0.54 -0.58 -1.26 -1.18 120.64 126.10 1ulp n GLU 14 Ca 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1ulp n GLU 14 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ulp n GLY 15 N 0.00 -0.83 3.54 0.62 0.00 -1.26 -5.05 105.19 102.20 1ulp n GLY 15 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.42 1ulp n GLY 15 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ulp n TRP 16 N 0.00 0.83 -4.32 1.61 7.02 -0.33 -4.83 117.44 117.43 1ulp n TRP 16 Ca 0.00 1.04 -0.21 0.00 -1.02 0.00 0.00 57.50 57.30 1ulp n TRP 16 Cb 0.53 -2.12 -0.13 0.00 -2.42 0.00 0.00 31.31 27.17 1ulp n TRP 16 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 1ulp s VAL 17 N 0.39 1.36 -0.14 -0.99 -7.23 -0.71 -4.87 120.40 108.22 1ulp s VAL 17 Ca 0.92 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 59.82 1ulp s VAL 17 Cb -1.27 -1.24 0.03 0.00 0.56 0.00 0.00 36.38 34.46 1ulp s VAL 17 CO 0.59 -0.05 -0.05 0.00 -0.31 0.00 0.00 175.10 175.28 1ulp s ALA 18 N -1.05 1.30 0.46 1.32 0.00 -1.26 -0.81 121.76 121.72 1ulp s ALA 18 Ca 0.03 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.43 1ulp s ALA 18 Cb -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1ulp s ALA 18 CO 0.02 -0.63 0.43 1.52 0.00 0.00 0.00 175.76 177.10 1ulp s TYR 19 N 1.71 2.33 -1.15 0.00 -0.85 -0.51 -4.56 117.35 114.34 1ulp s TYR 19 Ca 0.03 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 55.98 1ulp s TYR 19 Cb -0.14 -2.12 0.00 0.00 0.38 0.00 0.00 41.96 40.08 1ulp s TYR 19 CO -0.08 -0.31 0.00 0.41 -1.52 0.00 0.00 175.55 174.05 1ulp n GLY 20 N -1.67 0.27 0.00 5.49 0.00 -1.26 -2.55 105.19 105.47 1ulp n GLY 20 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.62 0.00 -0.87 2.61 -2.24 -1.26 -4.50 114.28 104.39 1ulp n THR 21 Ca -0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 1ulp n THR 21 Cb 0.56 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.83 1ulp n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ulp n ASP 22 N -0.93 6.36 0.00 3.42 -0.08 -1.20 -4.95 116.55 119.17 1ulp n ASP 22 Ca 0.00 -3.08 0.00 0.00 -1.51 0.00 0.00 54.79 50.20 1ulp n ASP 22 Cb 0.00 -1.03 0.00 0.00 2.34 0.00 0.00 41.12 42.43 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ulp n GLY 23 N 0.26 0.50 0.00 0.27 0.00 -1.26 -5.01 105.19 99.95 1ulp n GLY 23 Ca 0.31 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 1.15 -4.34 1.61 -0.04 -1.26 -4.78 135.00 127.33 1ulp n PRO 24 Ca 0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 1ulp n PRO 24 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1ulp n PRO 24 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1ulp s LEU 25 N 0.00 2.89 -0.00 1.53 2.34 -1.26 -4.47 118.68 119.70 1ulp s LEU 25 Ca 0.00 -0.72 0.08 0.00 0.06 0.00 0.00 54.13 53.55 1ulp s LEU 25 Cb 0.00 -1.51 -0.02 0.00 -0.56 0.00 0.00 46.19 44.10 1ulp s LEU 25 CO 0.00 0.07 -0.25 -0.62 -1.06 0.00 0.00 176.35 174.49 1ulp s ASP 26 N -3.15 2.90 0.00 1.48 2.15 -1.17 -4.98 116.67 113.89 1ulp s ASP 26 Ca 0.27 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.77 1ulp s ASP 26 Cb -0.07 -0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.24 1ulp s ASP 26 CO 0.16 0.28 0.00 0.35 -0.17 0.00 0.00 175.17 175.79 1ulp n THR 27 N 2.30 0.00 -0.44 1.71 -2.24 -1.26 -1.48 114.28 112.88 1ulp n THR 27 Ca -0.16 0.00 0.37 0.00 -2.27 0.00 0.00 64.05 61.99 1ulp n THR 27 Cb 0.52 -0.10 0.65 0.00 -2.10 0.00 0.00 70.33 69.30 1ulp n THR 27 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ulp h SER 28 N 0.00 0.24 -0.35 3.42 0.87 -1.90 0.27 113.55 116.10 1ulp h SER 28 Ca 0.00 0.16 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 1ulp h SER 28 Cb 0.29 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.35 1ulp h SER 28 CO 0.00 -0.25 -0.07 0.00 -0.53 0.00 0.00 176.83 175.98 1ulp h THR 29 N 0.05 0.66 0.00 2.23 1.03 -1.97 -3.45 112.91 111.46 1ulp h THR 29 Ca 0.85 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 67.24 1ulp h THR 29 Cb 2.62 0.64 0.00 0.00 -1.07 0.00 0.00 68.15 70.34 1ulp h THR 29 CO -0.49 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 175.63 1ulp n GLY 30 N -1.28 0.18 3.41 2.99 0.00 0.96 -5.15 105.19 106.30 1ulp n GLY 30 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N 0.00 0.29 -0.94 4.61 0.00 -1.20 -4.81 121.76 119.71 1ulp s ALA 31 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 1ulp s ALA 31 Cb 0.00 1.13 0.03 0.00 0.00 0.00 0.00 23.12 24.28 1ulp s ALA 31 CO 0.00 -0.72 1.49 -1.17 0.00 0.00 0.00 175.76 175.36 1ulp s LEU 32 N -3.06 3.39 -0.40 0.00 2.96 -1.07 -3.99 118.68 116.51 1ulp s LEU 32 Ca 0.27 -1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 52.93 1ulp s LEU 32 Cb 0.03 -2.57 0.02 0.00 0.50 0.00 0.00 46.19 44.17 1ulp s LEU 32 CO 0.08 -1.75 0.29 0.00 -1.32 0.00 0.00 176.35 173.65 1ulp s VAL 34 N 1.68 4.80 -1.13 0.00 -7.23 -1.08 -3.07 120.40 114.36 1ulp s VAL 34 Ca 0.05 0.97 -0.16 0.00 -1.81 0.00 0.00 61.98 61.03 1ulp s VAL 34 Cb -0.19 -3.79 0.15 0.00 0.56 0.00 0.00 36.38 33.12 1ulp s VAL 34 CO 0.10 0.31 1.37 0.00 -0.31 0.00 0.00 175.10 176.58 1ulp s ALA 35 N -1.39 3.74 0.08 1.32 0.00 -1.26 -3.01 121.76 121.25 1ulp s ALA 35 Ca 0.36 -3.14 -0.31 0.00 0.00 0.00 0.00 51.96 48.88 1ulp s ALA 35 Cb -0.16 -4.16 -0.07 0.00 0.00 0.00 0.00 23.12 18.73 1ulp s ALA 35 CO 0.19 -2.89 1.40 0.08 0.00 0.00 0.00 175.76 174.54 1ulp s VAL 36 N 2.17 3.40 0.46 0.00 1.01 -0.02 -3.22 120.40 124.21 1ulp s VAL 36 Ca 0.41 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.12 1ulp s VAL 36 Cb -0.03 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1ulp s VAL 36 CO -0.02 0.05 1.15 -2.16 0.00 0.00 0.00 175.10 174.12 1ulp s PRO 37 N 1.49 3.75 0.14 2.72 0.04 -1.26 -2.23 135.00 139.66 1ulp s PRO 37 Ca 0.65 1.73 -0.32 0.00 0.04 0.00 0.00 61.00 63.10 1ulp s PRO 37 Cb -0.36 -2.37 -0.18 0.00 0.04 0.00 0.00 34.50 31.64 1ulp s PRO 37 CO 0.29 -0.55 0.78 0.00 0.04 0.00 0.00 177.00 177.57 1ulp n ALA 38 N -0.54 -2.71 -3.03 8.56 0.00 -1.26 -3.31 120.51 118.22 1ulp n ALA 38 Ca 0.08 0.49 -0.00 0.00 0.00 0.00 0.00 53.44 54.00 1ulp n ALA 38 Cb 0.48 -1.73 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.81 -1.28 1.59 0.00 0.00 -0.21 -4.74 105.19 102.36 1ulp n GLY 39 Ca 0.18 0.25 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 1.49 4.38 -1.31 1.61 7.64 -1.21 -4.23 113.62 121.98 1ulp n SER 40 Ca -0.04 -2.71 0.04 0.00 1.01 0.00 0.00 58.87 57.17 1ulp n SER 40 Cb 0.31 -0.79 0.24 0.00 -1.01 0.00 0.00 64.21 62.95 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 0.16 3.31 -1.28 -0.43 0.00 -1.26 0.26 120.51 121.26 1ulp n ALA 41 Ca 0.23 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1ulp n ALA 41 Cb 0.79 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.37 3.57 -0.37 0.00 10.64 -1.26 -4.72 117.38 125.60 1ulp n GLN 42 Ca 0.16 0.00 0.37 0.00 -1.83 0.00 0.00 57.00 55.70 1ulp n GLN 42 Cb 0.80 0.00 0.61 0.00 -0.86 0.00 0.00 30.24 30.79 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 -1.97 -3.44 116.97 114.16 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 -1.78 2.36 3.95 0.10 0.00 -1.26 -5.08 105.19 103.49 1ulp n GLY 44 Ca 0.29 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 5.04 0.00 1.61 1.01 -1.04 -4.64 120.40 122.38 1ulp s VAL 45 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1ulp s VAL 45 Cb 0.00 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1ulp s VAL 45 CO 0.00 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1ulp n GLY 46 N -1.68 1.18 3.44 4.51 0.00 -1.06 -0.01 105.19 111.57 1ulp n GLY 46 Ca -0.06 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 3.17 0.08 1.61 1.01 -0.38 -1.42 120.40 122.47 1ulp s VAL 47 Ca 0.00 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1ulp s VAL 47 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1ulp s VAL 47 CO 0.00 0.56 -0.14 0.68 0.00 0.00 0.00 175.10 176.19 1ulp s VAL 48 N -0.18 1.19 -0.20 2.92 -7.23 0.01 -1.14 120.40 115.77 1ulp s VAL 48 Ca 0.00 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1ulp s VAL 48 Cb -0.13 -1.21 0.10 0.00 0.56 0.00 0.00 36.38 35.70 1ulp s VAL 48 CO 0.03 -0.27 0.34 -0.22 -0.31 0.00 0.00 175.10 174.68 1ulp s LEU 49 N -1.93 -0.49 -0.12 1.32 2.96 -1.16 -1.74 118.68 117.53 1ulp s LEU 49 Ca 0.01 0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 1ulp s LEU 49 Cb -0.09 0.98 -0.01 0.00 0.50 0.00 0.00 46.19 47.58 1ulp s LEU 49 CO 0.02 -0.27 1.02 0.21 -1.32 0.00 0.00 176.35 176.01 1ulp s ASN 50 N 2.51 7.21 0.00 3.68 2.47 -1.26 -1.71 114.94 127.83 1ulp s ASN 50 Ca 0.06 1.53 0.00 0.00 0.42 0.00 0.00 52.86 54.87 1ulp s ASN 50 Cb -0.14 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1ulp s ASN 50 CO -0.13 -0.49 0.00 0.61 -3.72 0.00 0.00 177.10 173.37 1ulp n GLY 51 N 3.14 -1.37 3.43 1.21 0.00 -1.15 -4.94 105.19 105.51 1ulp n GLY 51 Ca 0.09 0.47 -0.21 0.00 0.00 0.00 0.00 46.02 46.38 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 0.87 -0.38 1.61 1.01 -1.13 -3.82 120.40 118.55 1ulp s VAL 52 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.01 1ulp s VAL 52 Cb 0.00 -2.65 0.16 0.00 0.00 0.00 0.00 36.38 33.89 1ulp s VAL 52 CO 0.00 0.00 0.35 0.00 0.00 0.00 0.00 175.10 175.45 1ulp s ALA 53 N -3.41 0.19 0.27 5.51 0.00 -0.91 -4.11 121.76 119.30 1ulp s ALA 53 Ca 0.34 -1.48 0.12 0.00 0.00 0.00 0.00 51.96 50.94 1ulp s ALA 53 Cb 0.07 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 1ulp s ALA 53 CO 0.15 -2.11 -0.20 0.42 0.00 0.00 0.00 175.76 174.02 1ulp s ILE 54 N 1.02 2.41 -0.14 0.00 -1.09 -1.08 -4.74 121.20 117.58 1ulp s ILE 54 Ca 0.21 -2.37 -0.05 0.00 -2.23 0.00 0.00 60.65 56.21 1ulp s ILE 54 Cb -0.13 -2.27 0.07 0.00 -1.58 0.00 0.00 42.46 38.55 1ulp s ILE 54 CO -0.05 -0.39 0.29 -1.61 -1.23 0.00 0.00 174.94 171.94 1ulp s GLU 55 N -3.45 0.18 0.00 2.79 2.02 -1.10 -0.86 118.70 118.28 1ulp s GLU 55 Ca 0.29 0.76 0.00 0.00 0.02 0.00 0.00 54.97 56.04 1ulp s GLU 55 Cb -0.05 0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.19 1ulp s GLU 55 CO 0.14 -0.26 0.00 -0.85 0.02 0.00 0.00 175.26 174.31 1ulp n GLU 56 N 5.19 0.00 -2.60 1.61 0.28 0.43 -3.33 120.64 122.22 1ulp n GLU 56 Ca -0.09 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.49 1ulp n GLU 56 Cb 0.50 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.34 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 1.17 0.41 -1.84 0.00 -1.21 -2.37 107.32 103.48 1ulp s GLY 57 Ca 0.00 -1.93 0.04 0.00 0.00 0.00 0.00 44.72 42.83 1ulp s GLY 57 CO 0.00 2.59 0.05 -1.59 0.00 0.00 0.00 173.10 174.15 1ulp s THR 58 N 5.05 1.20 0.28 0.90 2.01 -0.52 -4.91 115.64 119.65 1ulp s THR 58 Ca 0.39 -2.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.30 1ulp s THR 58 Cb -0.04 -2.55 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 1ulp s THR 58 CO 0.01 0.00 0.61 -0.89 -0.69 0.00 0.00 174.62 173.66 1ulp s THR 59 N -3.04 4.89 0.33 -0.82 2.01 -1.26 -0.56 115.64 117.18 1ulp s THR 59 Ca 0.25 0.48 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1ulp s THR 59 Cb 0.06 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1ulp s THR 59 CO 0.12 -0.21 0.74 -0.31 -0.69 0.00 0.00 174.62 174.27 1ulp s TYR 60 N -1.98 0.02 -0.17 4.92 2.02 -0.48 -3.68 117.35 118.00 1ulp s TYR 60 Ca 0.48 -0.57 -0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1ulp s TYR 60 Cb -0.11 0.73 0.08 0.00 -0.40 0.00 0.00 41.96 42.25 1ulp s TYR 60 CO 0.24 -1.38 0.35 0.99 -1.57 0.00 0.00 175.55 174.18 1ulp s THR 61 N -3.14 -0.49 -0.25 -0.71 2.01 -1.23 -1.67 115.64 110.16 1ulp s THR 61 Ca 0.14 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.14 1ulp s THR 61 Cb -0.05 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1ulp s THR 61 CO 0.10 0.08 0.63 -0.22 -0.69 0.00 0.00 174.62 174.52 1ulp s LEU 62 N 2.39 4.07 -0.03 4.42 2.96 -0.60 -4.24 118.68 127.64 1ulp s LEU 62 Ca -0.02 0.73 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 1ulp s LEU 62 Cb -0.12 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 1ulp s LEU 62 CO -0.11 -0.36 -0.24 -0.60 -1.32 0.00 0.00 176.35 173.72 1ulp s ARG 63 N 2.43 2.16 -0.29 1.98 3.52 -1.14 -2.85 118.95 124.75 1ulp s ARG 63 Ca 0.27 -0.87 -0.26 0.00 -0.13 0.00 0.00 55.73 54.73 1ulp s ARG 63 Cb -0.16 -1.98 0.19 0.00 -1.56 0.00 0.00 34.95 31.44 1ulp s ARG 63 CO 0.09 0.47 1.42 1.52 -0.81 0.00 0.00 175.30 177.98 1ulp s TYR 64 N -0.41 -0.06 -0.45 5.12 -0.85 -0.24 -2.58 117.35 117.88 1ulp s TYR 64 Ca 0.05 0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.76 1ulp s TYR 64 Cb -0.11 0.49 0.12 0.00 0.38 0.00 0.00 41.96 42.83 1ulp s TYR 64 CO 0.01 -0.03 0.18 0.99 -1.52 0.00 0.00 175.55 175.18 1ulp s THR 65 N -0.20 2.55 0.24 -3.49 2.01 -1.26 0.28 115.64 115.77 1ulp s THR 65 Ca 0.08 -2.88 -0.01 0.00 0.31 0.00 0.00 61.69 59.19 1ulp s THR 65 Cb -0.04 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1ulp s THR 65 CO -0.14 -0.72 0.44 0.00 -0.69 0.00 0.00 174.62 173.51 1ulp s ALA 66 N 0.24 3.78 -0.17 7.40 0.00 -0.83 -2.65 121.76 129.54 1ulp s ALA 66 Ca 0.14 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 1ulp s ALA 66 Cb -0.23 -2.04 0.08 0.00 0.00 0.00 0.00 23.12 20.93 1ulp s ALA 66 CO -0.03 0.31 0.31 0.99 0.00 0.00 0.00 175.76 177.33 1ulp s THR 67 N -1.99 -0.48 -0.19 0.00 2.01 -0.68 -2.46 115.64 111.86 1ulp s THR 67 Ca 0.39 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.48 1ulp s THR 67 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1ulp s THR 67 CO 0.30 0.04 0.08 0.00 -0.69 0.00 0.00 174.62 174.35 1ulp s ALA 68 N 2.47 3.47 -1.09 7.40 0.00 -1.12 -1.79 121.76 131.09 1ulp s ALA 68 Ca 0.03 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.33 1ulp s ALA 68 Cb -0.13 -1.98 0.36 0.00 0.00 0.00 0.00 23.12 21.37 1ulp s ALA 68 CO -0.11 0.16 1.23 -1.13 0.00 0.00 0.00 175.76 175.92 1ulp n SER 69 N 3.55 0.00 -0.35 0.00 3.41 -1.25 -1.60 113.62 117.38 1ulp n SER 69 Ca -0.16 0.43 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 1ulp n SER 69 Cb 0.52 -0.45 0.18 0.00 -0.26 0.00 0.00 64.21 64.20 1ulp n SER 69 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ulp n THR 70 N -1.45 2.02 -3.09 6.66 5.66 -1.26 -4.79 114.28 118.02 1ulp n THR 70 Ca 0.02 -2.13 -0.00 0.00 -3.05 0.00 0.00 64.05 58.89 1ulp n THR 70 Cb 0.09 -0.24 -0.00 0.00 -1.55 0.00 0.00 70.33 68.63 1ulp n THR 70 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ulp n ASP 71 N -1.12 -6.73 -4.27 1.09 2.03 -0.63 -4.87 116.55 102.05 1ulp n ASP 71 Ca 0.18 0.67 -0.15 0.00 0.52 0.00 0.00 54.79 56.01 1ulp n ASP 71 Cb 0.72 -2.14 -0.10 0.00 -0.72 0.00 0.00 41.12 38.88 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 -0.86 1.15 -0.46 5.18 0.11 -1.18 -4.88 120.40 119.45 1ulp s VAL 72 Ca -0.01 -2.06 0.02 0.00 -2.93 0.00 0.00 61.98 57.00 1ulp s VAL 72 Cb 0.00 -1.97 0.14 0.00 -1.53 0.00 0.00 36.38 33.02 1ulp s VAL 72 CO 0.12 -0.64 0.26 -0.89 -3.33 0.00 0.00 175.10 170.61 1ulp s THR 73 N -3.34 1.55 0.00 5.04 2.01 -1.26 0.12 115.64 119.75 1ulp s THR 73 Ca 0.20 -2.71 0.00 0.00 0.31 0.00 0.00 61.69 59.49 1ulp s THR 73 Cb 0.03 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.46 1ulp s THR 73 CO 0.03 -0.90 0.00 1.33 -0.69 0.00 0.00 174.62 174.38 1ulp n VAL 74 N 3.41 0.00 -4.21 3.82 0.24 -1.17 -4.89 118.33 115.53 1ulp n VAL 74 Ca 0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.23 1ulp n VAL 74 Cb 0.35 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.59 1ulp n VAL 74 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ulp s ARG 75 N 2.43 0.70 0.01 7.34 0.52 -1.07 -3.60 118.95 125.28 1ulp s ARG 75 Ca 0.00 -0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 54.38 1ulp s ARG 75 Cb 0.00 -0.63 0.02 0.00 0.52 0.00 0.00 34.95 34.87 1ulp s ARG 75 CO 0.00 0.15 0.32 0.00 0.02 0.00 0.00 175.30 175.78 1ulp s ALA 76 N -0.94 -0.77 0.00 2.13 0.00 -1.04 -0.98 121.76 120.18 1ulp s ALA 76 Ca -0.03 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1ulp s ALA 76 Cb -0.08 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1ulp s ALA 76 CO 0.01 -0.33 0.00 1.47 0.00 0.00 0.00 175.76 176.91 1ulp n LEU 77 N 0.95 0.00 -4.08 0.00 -0.00 -0.82 -2.98 117.00 110.06 1ulp n LEU 77 Ca -0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.67 1ulp n LEU 77 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.95 1ulp n LEU 77 CO 0.22 0.00 0.14 -0.69 -0.00 0.00 0.00 177.39 177.05 1ulp s VAL 78 N -4.00 0.00 -0.05 1.47 1.01 -1.26 -3.01 120.40 114.56 1ulp s VAL 78 Ca 0.00 -1.59 -0.18 0.00 0.00 0.00 0.00 61.98 60.21 1ulp s VAL 78 Cb 0.00 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.83 1ulp s VAL 78 CO 0.00 0.00 0.80 0.61 0.00 0.00 0.00 175.10 176.51 1ulp n GLY 79 N -0.54 0.23 0.00 4.51 0.00 -1.14 -3.68 105.19 104.58 1ulp n GLY 79 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.58 3.21 -2.89 1.61 7.27 -0.66 -1.42 117.38 123.93 1ulp n GLN 80 Ca 0.04 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.99 1ulp n GLN 80 Cb 0.34 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.00 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 -2.20 0.00 1.69 4.13 0.53 -3.91 115.26 115.50 1ulp n ASN 81 Ca 0.00 -3.05 0.00 0.00 1.68 0.00 0.00 54.58 53.21 1ulp n ASN 81 Cb 0.00 1.14 0.00 0.00 -1.54 0.00 0.00 39.78 39.38 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 1.91 4.29 3.24 7.41 0.00 -1.26 -2.99 105.19 117.79 1ulp n GLY 82 Ca 0.15 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.33 -3.20 1.74 4.61 0.00 -1.26 -1.24 120.51 119.83 1ulp n ALA 83 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ulp n ALA 83 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.32 1.00 -1.45 0.00 -0.04 -1.26 -4.78 135.00 129.80 1ulp n PRO 84 Ca 0.07 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 84 Cb 0.49 -1.13 0.00 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 -0.37 -3.98 -3.59 0.54 4.01 -0.38 -5.06 117.16 108.34 1ulp n TYR 85 Ca 0.00 2.15 -0.00 0.00 -0.16 0.00 0.00 57.90 59.88 1ulp n TYR 85 Cb 0.07 -3.34 -0.06 0.00 -0.31 0.00 0.00 39.34 35.69 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 -4.59 0.17 0.14 2.72 0.00 -1.26 -4.97 107.32 99.53 1ulp s GLY 86 Ca 0.00 3.35 0.05 0.00 0.00 0.00 0.00 44.72 48.12 1ulp s GLY 86 CO 0.00 2.77 0.12 -0.51 0.00 0.00 0.00 173.10 175.49 1ulp s THR 87 N 1.45 4.51 0.00 0.90 -4.23 -1.26 -1.65 115.64 115.35 1ulp s THR 87 Ca -0.07 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1ulp s THR 87 Cb -0.03 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1ulp s THR 87 CO -0.14 -0.05 0.00 1.33 -0.54 0.00 0.00 174.62 175.22 1ulp n VAL 88 N -0.16 0.00 -4.16 2.29 0.24 -1.24 -4.76 118.33 110.54 1ulp n VAL 88 Ca -0.08 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.89 1ulp n VAL 88 Cb 0.54 -0.15 -0.08 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.72 3.75 -0.46 1.34 1.02 -1.26 -4.81 118.68 115.53 1ulp s LEU 89 Ca 0.00 0.08 0.06 0.00 0.02 0.00 0.00 54.13 54.30 1ulp s LEU 89 Cb 0.00 -2.18 0.21 0.00 0.02 0.00 0.00 46.19 44.24 1ulp s LEU 89 CO 0.00 0.27 0.64 0.47 0.02 0.00 0.00 176.35 177.75 1ulp n ASP 90 N 1.24 -2.01 -3.72 2.29 9.92 -1.26 -4.09 116.55 118.92 1ulp n ASP 90 Ca -0.13 -2.83 -0.22 0.00 -0.53 0.00 0.00 54.79 51.07 1ulp n ASP 90 Cb 0.53 0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 41.74 1ulp n ASP 90 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1ulp s THR 91 N 0.30 0.25 -0.20 -3.53 -4.23 -1.16 -5.08 115.64 101.99 1ulp s THR 91 Ca 0.32 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 1ulp s THR 91 Cb 0.09 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.54 1ulp s THR 91 CO -0.14 0.00 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.32 1ulp s SER 92 N -3.47 3.43 -0.52 3.99 0.01 -1.26 -2.48 113.70 113.40 1ulp s SER 92 Ca 0.33 -0.81 -0.28 0.00 1.31 0.00 0.00 55.95 56.50 1ulp s SER 92 Cb 0.02 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.76 1ulp s SER 92 CO 0.21 -0.04 1.55 -2.16 0.41 0.00 0.00 173.24 173.21 1ulp s PRO 93 N 1.25 3.22 0.48 12.44 0.04 -1.24 -4.91 135.00 146.29 1ulp s PRO 93 Ca 0.02 0.69 -0.19 0.00 0.04 0.00 0.00 61.00 61.56 1ulp s PRO 93 Cb -0.15 -4.17 -0.09 0.00 0.04 0.00 0.00 34.50 30.14 1ulp s PRO 93 CO -0.11 -2.02 1.00 0.00 0.04 0.00 0.00 177.00 175.91 1ulp s ALA 94 N 6.63 2.96 0.10 8.56 0.00 -1.26 -3.04 121.76 135.71 1ulp s ALA 94 Ca 0.60 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.98 1ulp s ALA 94 Cb -0.13 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1ulp s ALA 94 CO 0.27 -0.17 0.01 -0.51 0.00 0.00 0.00 175.76 175.35 1ulp s LEU 95 N -3.58 2.14 0.00 0.00 1.43 0.12 -4.87 118.68 113.92 1ulp s LEU 95 Ca 0.63 -1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 1ulp s LEU 95 Cb -0.12 0.19 0.06 0.00 0.03 0.00 0.00 46.19 46.34 1ulp s LEU 95 CO 0.21 -0.64 0.76 1.07 0.23 0.00 0.00 176.35 177.98 1ulp n THR 96 N -0.03 0.00 0.18 5.49 5.66 -1.26 -3.13 114.28 121.18 1ulp n THR 96 Ca -0.09 -0.81 0.04 0.00 -3.05 0.00 0.00 64.05 60.14 1ulp n THR 96 Cb 0.62 0.85 0.43 0.00 -1.55 0.00 0.00 70.33 70.69 1ulp n THR 96 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1ulp h SER 97 N 1.79 0.09 -2.27 1.09 4.64 -1.86 -2.96 113.55 114.06 1ulp h SER 97 Ca -0.29 -0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 60.54 1ulp h SER 97 Cb 1.11 -0.02 0.10 0.00 -0.31 0.00 0.00 62.40 63.28 1ulp h SER 97 CO 0.37 0.30 0.18 -1.61 -0.87 0.00 0.00 176.83 175.20 1ulp s GLU 98 N -4.58 1.28 0.13 4.77 2.02 -1.26 -4.91 118.70 116.15 1ulp s GLU 98 Ca -0.04 -1.13 -0.30 0.00 0.02 0.00 0.00 54.97 53.52 1ulp s GLU 98 Cb 0.15 -2.23 -0.07 0.00 0.10 0.00 0.00 34.13 32.08 1ulp s GLU 98 CO 0.72 -1.78 1.26 -1.25 0.02 0.00 0.00 175.26 174.23 1ulp s PRO 99 N -5.34 4.42 -0.48 0.39 0.04 -1.26 -4.74 135.00 128.03 1ulp s PRO 99 Ca 0.70 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.69 1ulp s PRO 99 Cb -0.04 -3.27 0.12 0.00 0.04 0.00 0.00 34.50 31.36 1ulp s PRO 99 CO 0.47 -0.25 0.21 0.50 0.04 0.00 0.00 177.00 177.97 1ulp s ARG 100 N 0.53 1.87 0.60 4.56 3.00 -1.03 -5.00 118.95 123.49 1ulp s ARG 100 Ca 0.58 -2.45 -0.14 0.00 -1.00 0.00 0.00 55.73 52.72 1ulp s ARG 100 Cb -0.33 -3.30 -0.04 0.00 0.00 0.00 0.00 34.95 31.28 1ulp s ARG 100 CO 0.33 -1.07 1.03 -1.14 0.00 0.00 0.00 175.30 174.45 1ulp s GLN 101 N -0.00 3.45 -0.02 5.12 0.74 -1.26 -1.96 119.66 125.73 1ulp s GLN 101 Ca 0.16 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.57 1ulp s GLN 101 Cb -0.24 -2.06 0.02 0.00 1.10 0.00 0.00 33.01 31.82 1ulp s GLN 101 CO -0.02 -0.69 0.00 0.08 -0.55 0.00 0.00 175.29 174.11 1ulp s VAL 102 N -2.76 0.10 -0.21 1.34 1.01 0.14 -4.91 120.40 115.11 1ulp s VAL 102 Ca 0.60 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1ulp s VAL 102 Cb -0.13 -0.16 0.11 0.00 0.00 0.00 0.00 36.38 36.20 1ulp s VAL 102 CO 0.42 0.09 0.35 -0.89 0.00 0.00 0.00 175.10 175.07 1ulp s THR 103 N 0.59 -0.55 -0.09 3.92 2.01 -1.25 -2.14 115.64 118.13 1ulp s THR 103 Ca -0.05 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1ulp s THR 103 Cb -0.08 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.74 1ulp s THR 103 CO -0.01 -0.06 0.23 -1.61 -0.69 0.00 0.00 174.62 172.48 1ulp s GLU 104 N 2.51 0.26 0.42 4.92 2.02 -1.13 -4.98 118.70 122.72 1ulp s GLU 104 Ca 0.07 0.36 -0.04 0.00 0.02 0.00 0.00 54.97 55.39 1ulp s GLU 104 Cb -0.14 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 1ulp s GLU 104 CO -0.14 -0.05 0.69 0.99 0.02 0.00 0.00 175.26 176.76 1ulp s THR 105 N 0.32 4.98 -0.13 3.63 2.01 -1.26 -1.56 115.64 123.62 1ulp s THR 105 Ca -0.02 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 1ulp s THR 105 Cb -0.03 -3.85 0.12 0.00 0.01 0.00 0.00 72.50 68.75 1ulp s THR 105 CO -0.01 -0.69 0.95 0.72 -0.69 0.00 0.00 174.62 174.90 1ulp s PHE 106 N -2.53 -0.39 -0.91 4.92 -0.71 -0.67 -4.96 117.98 112.74 1ulp s PHE 106 Ca 0.45 0.63 -0.19 0.00 -1.04 0.00 0.00 56.93 56.78 1ulp s PHE 106 Cb -0.10 0.46 0.13 0.00 -1.21 0.00 0.00 43.02 42.30 1ulp s PHE 106 CO 0.40 -0.39 1.10 0.99 -1.34 0.00 0.00 175.22 175.98 1ulp s THR 107 N -1.36 4.74 -0.23 -4.49 2.01 -1.26 -1.38 115.64 113.67 1ulp s THR 107 Ca -0.02 -1.53 -0.36 0.00 0.31 0.00 0.00 61.69 60.09 1ulp s THR 107 Cb -0.00 -4.76 -0.12 0.00 0.01 0.00 0.00 72.50 67.63 1ulp s THR 107 CO 0.01 -1.48 1.97 0.00 -0.69 0.00 0.00 174.62 174.43 1ulp n ALA 108 N 6.52 0.75 -2.23 7.40 0.00 0.27 -4.62 120.51 128.60 1ulp n ALA 108 Ca 0.22 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.42 1ulp n ALA 108 Cb 0.49 -2.48 0.03 0.00 0.00 0.00 0.00 19.45 17.49 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 7.68 7.44 -0.02 0.00 3.41 -1.25 -1.43 113.62 129.45 1ulp n SER 109 Ca 0.30 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 1ulp n SER 109 Cb 0.24 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 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 -0.21 0.00 -3.62 7.33 0.00 -1.00 -4.81 120.51 118.21 1ulp n ALA 110 Ca 0.51 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.77 1ulp n ALA 110 Cb 0.25 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.75 -0.28 -0.78 0.00 2.01 -1.26 0.16 115.64 112.74 1ulp s THR 111 Ca 0.00 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1ulp s THR 111 Cb 0.00 -0.43 0.24 0.00 0.01 0.00 0.00 72.50 72.32 1ulp s THR 111 CO 0.00 0.02 0.86 -1.22 -0.69 0.00 0.00 174.62 173.59 1ulp n TYR 112 N 5.32 3.46 -0.17 4.92 4.01 -0.04 -4.47 117.16 130.20 1ulp n TYR 112 Ca -0.05 -3.89 0.00 0.00 -0.16 0.00 0.00 57.90 53.80 1ulp n TYR 112 Cb 0.50 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 1.37 0.38 -0.44 -0.72 -0.04 -1.26 -2.13 135.00 132.15 1ulp n PRO 113 Ca 0.26 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1ulp n PRO 113 Cb 0.38 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.90 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 2.21 -3.28 0.55 0.00 -1.26 -3.49 120.51 112.25 1ulp n ALA 114 Ca 0.00 -1.81 -0.45 0.00 0.00 0.00 0.00 53.44 51.18 1ulp n ALA 114 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.92 1ulp n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ulp s THR 115 N -1.18 5.07 -1.20 0.00 -4.23 -1.26 -4.98 115.64 107.85 1ulp s THR 115 Ca 0.16 -1.47 -0.21 0.00 -1.18 0.00 0.00 61.69 58.99 1ulp s THR 115 Cb 0.15 -4.23 -0.05 0.00 1.34 0.00 0.00 72.50 69.72 1ulp s THR 115 CO -0.01 -0.81 1.88 -0.81 -0.54 0.00 0.00 174.62 174.34 1ulp n PRO 116 N 5.20 2.08 -4.53 3.99 -0.04 -1.26 -4.31 135.00 136.13 1ulp n PRO 116 Ca -0.13 -2.67 -0.30 0.00 -0.04 0.00 0.00 63.50 60.36 1ulp n PRO 116 Cb 0.41 -3.61 -0.07 0.00 -0.04 0.00 0.00 33.50 30.19 1ulp n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp s ALA 117 N 8.61 3.99 -0.06 0.55 0.00 -0.59 -5.04 121.76 129.22 1ulp s ALA 117 Ca 0.63 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1ulp s ALA 117 Cb 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 1ulp s ALA 117 CO 0.11 -0.12 0.51 0.00 0.00 0.00 0.00 175.76 176.27 1ulp h ALA 118 N 1.31 -0.33 -0.01 0.00 0.00 -1.99 -3.30 119.26 114.94 1ulp h ALA 118 Ca -0.43 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ulp h ALA 118 Cb 1.30 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ulp h ALA 118 CO 0.72 -0.33 -0.01 -3.47 0.00 0.00 0.00 179.25 176.16 1ulp n ASP 119 N -5.00 0.74 -3.67 0.00 -0.08 -1.26 -4.46 116.55 102.83 1ulp n ASP 119 Ca -0.05 -1.22 -0.29 0.00 -1.51 0.00 0.00 54.79 51.72 1ulp n ASP 119 Cb 0.18 -0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.51 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1ulp s ASP 120 N -2.03 3.39 0.75 1.67 1.11 -1.24 -5.09 116.67 115.23 1ulp s ASP 120 Ca 0.42 -2.86 0.00 0.00 0.18 0.00 0.00 52.55 50.29 1ulp s ASP 120 Cb 0.21 -0.98 0.00 0.00 1.07 0.00 0.00 42.92 43.23 1ulp s ASP 120 CO 0.36 -0.23 0.00 -0.81 1.18 0.00 0.00 175.17 175.67 1ulp n PRO 121 N 3.22 -0.11 0.00 8.23 -0.04 -1.26 -1.55 135.00 143.50 1ulp n PRO 121 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1ulp n PRO 121 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1ulp n PRO 121 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ulp n GLU 122 N -0.93 0.00 -3.83 0.54 0.00 -1.16 -4.56 120.64 110.70 1ulp n GLU 122 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 1ulp n GLU 122 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 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 0.04 0.00 -1.84 0.00 -1.23 0.20 107.32 104.49 1ulp s GLY 123 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1ulp s GLY 123 CO 0.00 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.10 1ulp n GLN 124 N 0.23 0.00 -4.95 2.90 10.64 -0.50 -2.84 117.38 122.85 1ulp n GLN 124 Ca -0.17 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.70 1ulp n GLN 124 Cb 0.61 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.85 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 -1.55 2.37 -0.14 -0.39 1.01 -0.70 -2.86 121.20 118.94 1ulp s ILE 125 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 60.65 59.47 1ulp s ILE 125 Cb 0.00 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.57 1ulp s ILE 125 CO 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 174.94 175.18 1ulp s ALA 126 N -0.77 2.13 -0.28 9.38 0.00 -1.16 -2.97 121.76 128.09 1ulp s ALA 126 Ca 0.12 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1ulp s ALA 126 Cb -0.10 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1ulp s ALA 126 CO 0.02 -0.14 -0.07 -0.06 0.00 0.00 0.00 175.76 175.51 1ulp s PHE 127 N 1.01 3.30 -0.60 0.00 0.40 -0.29 -1.95 117.98 119.84 1ulp s PHE 127 Ca -0.03 -2.25 -0.22 0.00 -0.60 0.00 0.00 56.93 53.82 1ulp s PHE 127 Cb -0.15 -2.04 0.06 0.00 0.51 0.00 0.00 43.02 41.41 1ulp s PHE 127 CO -0.05 -0.87 0.90 -0.65 0.70 0.00 0.00 175.22 175.25 1ulp s GLN 128 N 1.13 3.18 -0.61 0.44 -1.52 -0.15 -1.25 119.66 120.88 1ulp s GLN 128 Ca -0.07 -0.69 0.01 0.00 -1.95 0.00 0.00 55.36 52.67 1ulp s GLN 128 Cb -0.20 -4.16 0.41 0.00 -0.22 0.00 0.00 33.01 28.85 1ulp s GLN 128 CO -0.04 -1.62 1.71 1.28 -0.25 0.00 0.00 175.29 176.36 1ulp n LEU 129 N 7.37 6.59 -4.31 2.90 4.77 0.98 -2.60 117.00 132.69 1ulp n LEU 129 Ca -0.03 -4.72 -0.44 0.00 -0.03 0.00 0.00 56.01 50.79 1ulp n LEU 129 Cb 0.46 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1ulp n LEU 129 CO 0.62 1.82 1.14 0.61 -1.33 0.00 0.00 177.39 180.25 1ulp n GLY 130 N -0.68 4.08 1.08 -0.72 0.00 -0.76 -2.51 105.19 105.68 1ulp n GLY 130 Ca 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1ulp n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulp n GLY 131 N 3.02 -3.04 1.66 -0.02 0.00 0.71 -4.60 105.19 102.92 1ulp n GLY 131 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.13 -2.08 -0.01 1.61 3.72 -1.26 -4.87 117.46 114.71 1ulp n PHE 132 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1ulp n PHE 132 Cb 0.00 0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 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 -2.36 0.00 0.00 4.37 2.88 -1.26 -4.59 113.62 112.66 1ulp n SER 133 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ulp n SER 133 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.00 1.66 -1.94 -1.46 0.00 -1.26 -4.88 120.51 109.64 1ulp n ALA 134 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ulp n ALA 134 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 5.76 -0.31 0.00 1.11 -1.26 -1.04 116.67 121.94 1ulp s ASP 135 Ca 0.00 1.14 -0.44 0.00 0.18 0.00 0.00 52.55 53.43 1ulp s ASP 135 Cb 0.00 -2.08 -0.19 0.00 1.07 0.00 0.00 42.92 41.72 1ulp s ASP 135 CO 0.00 -1.10 1.45 0.00 1.18 0.00 0.00 175.17 176.70 1ulp n ALA 136 N -2.81 -1.88 -3.52 5.23 0.00 -1.26 -4.44 120.51 111.83 1ulp n ALA 136 Ca 0.06 0.52 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 1ulp n ALA 136 Cb 0.56 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 3.36 -0.17 -4.01 0.00 2.14 -0.94 -4.82 117.44 112.99 1ulp n TRP 137 Ca 0.27 -0.89 -0.11 0.00 2.07 0.00 0.00 57.50 58.83 1ulp n TRP 137 Cb 0.01 0.07 -0.04 0.00 -0.81 0.00 0.00 31.31 30.54 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 -2.32 0.00 -0.05 -1.67 2.01 -1.26 -0.84 115.64 111.51 1ulp s THR 138 Ca 0.11 -1.45 -0.02 0.00 0.31 0.00 0.00 61.69 60.64 1ulp s THR 138 Cb 0.01 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1ulp s THR 138 CO 0.08 0.00 0.06 -0.76 -0.69 0.00 0.00 174.62 173.31 1ulp s LEU 139 N -3.11 0.17 -0.41 4.42 1.02 -1.16 -3.86 118.68 115.75 1ulp s LEU 139 Ca 0.25 0.03 -0.12 0.00 0.02 0.00 0.00 54.13 54.31 1ulp s LEU 139 Cb -0.01 -0.16 0.04 0.00 0.02 0.00 0.00 46.19 46.09 1ulp s LEU 139 CO 0.14 -0.25 0.26 0.00 0.02 0.00 0.00 176.35 176.52 1ulp n LEU 141 N 5.05 0.00 0.00 0.00 4.77 -1.02 -1.68 117.00 124.12 1ulp n LEU 141 Ca -0.11 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1ulp n LEU 141 Cb 0.45 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1ulp n LEU 141 CO 0.40 -0.88 0.00 -0.90 -1.33 0.00 0.00 177.39 174.68 1ulp n ASP 142 N -2.77 0.00 0.00 -1.43 5.68 -1.08 -2.60 116.55 114.35 1ulp n ASP 142 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 1ulp n ASP 142 Cb 0.55 0.00 0.00 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 0.00 -4.55 -1.12 2.03 0.23 -3.68 116.55 109.47 1ulp n ASP 143 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1ulp n ASP 143 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 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 4.89 -0.05 5.18 1.01 -1.22 -1.08 120.40 129.14 1ulp s VAL 144 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 1ulp s VAL 144 Cb 0.00 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1ulp s VAL 144 CO 0.00 -0.41 0.31 0.00 0.00 0.00 0.00 175.10 175.01 1ulp s ALA 145 N 2.70 -0.79 -0.05 5.51 0.00 -1.07 -3.37 121.76 124.69 1ulp s ALA 145 Ca 0.23 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1ulp s ALA 145 Cb -0.14 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.91 1ulp s ALA 145 CO 0.16 -0.23 0.09 -1.17 0.00 0.00 0.00 175.76 174.61 1ulp s LEU 146 N -0.91 0.50 0.32 0.00 2.96 -1.26 -2.90 118.68 117.39 1ulp s LEU 146 Ca -0.10 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1ulp s LEU 146 Cb -0.04 0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 1ulp s LEU 146 CO 0.03 -0.19 0.14 -0.62 -1.32 0.00 0.00 176.35 174.39 1ulp s ASP 147 N 1.65 1.84 0.01 3.68 -1.08 -1.26 -4.67 116.67 116.83 1ulp s ASP 147 Ca -0.03 -1.55 0.09 0.00 -0.52 0.00 0.00 52.55 50.54 1ulp s ASP 147 Cb -0.12 0.34 -0.02 0.00 -1.46 0.00 0.00 42.92 41.66 1ulp s ASP 147 CO -0.04 -0.86 -0.26 -0.94 0.52 0.00 0.00 175.17 173.59 1ulp s SER 148 N -3.43 3.10 -0.03 -0.34 1.04 -1.26 -3.47 113.70 109.30 1ulp s SER 148 Ca 0.34 -0.52 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 1ulp s SER 148 Cb 0.05 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1ulp s SER 148 CO 0.17 0.30 0.01 1.21 0.98 0.00 0.00 173.24 175.90 1ulp n GLU 149 N 2.18 -1.10 -0.69 4.02 2.13 -1.24 -4.94 120.64 121.00 1ulp n GLU 149 Ca -0.16 1.23 0.01 0.00 0.66 0.00 0.00 57.16 58.89 1ulp n GLU 149 Cb 0.51 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 1.69 0.00 -3.64 6.31 3.14 -1.26 -5.00 118.33 119.56 1ulp n VAL 150 Ca -0.02 -0.18 -0.39 0.00 -2.96 0.00 0.00 64.34 60.79 1ulp n VAL 150 Cb 0.30 0.56 -0.08 0.00 -1.06 0.00 0.00 33.84 33.55 1ulp n VAL 150 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1ulp s GLU 151 N 0.00 2.74 0.00 1.45 2.56 -1.26 -5.22 118.70 118.97 1ulp s GLU 151 Ca 0.06 -2.45 0.00 0.00 0.00 0.00 0.00 54.97 52.58 1ulp s GLU 151 Cb 0.07 -3.87 0.00 0.00 2.00 0.00 0.00 34.13 32.33 1ulp s GLU 151 CO -0.03 -1.19 0.00 1.28 -0.56 0.00 0.00 175.26 174.76