#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 1.01 -0.54 0.00 2.88 -1.26 -4.73 113.62 110.98 1ulp n SER 2 Ca 0.00 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1ulp n SER 2 Cb 0.00 -1.00 0.02 0.00 -0.75 0.00 0.00 64.21 62.47 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 7.88 1.16 -0.09 -1.46 -0.04 -1.26 -3.31 135.00 137.88 1ulp n PRO 3 Ca 0.54 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1ulp n PRO 3 Cb 0.05 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 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 0.01 0.00 0.00 0.52 -5.35 -1.26 -4.82 119.36 108.46 1ulp n ILE 4 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1ulp n ILE 4 Cb 0.28 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 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 0.00 3.11 1.22 3.28 0.00 -1.21 -4.83 105.19 106.76 1ulp n GLY 5 Ca 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.33 1ulp n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulp n GLU 6 N -0.15 2.82 0.00 1.61 1.02 -1.26 -4.48 120.64 120.20 1ulp n GLU 6 Ca 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 57.16 55.60 1ulp n GLU 6 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ulp n GLY 7 N 0.26 -0.19 3.71 0.62 0.00 -1.26 -4.90 105.19 103.43 1ulp n GLY 7 Ca 0.15 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 0.58 -0.29 2.61 -2.24 -1.25 -2.30 114.28 111.38 1ulp n THR 8 Ca 0.00 -0.15 0.34 0.00 -2.27 0.00 0.00 64.05 61.97 1ulp n THR 8 Cb 0.00 -1.76 0.64 0.00 -2.10 0.00 0.00 70.33 67.11 1ulp n THR 8 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1ulp h PHE 9 N 5.30 0.00 0.00 4.78 0.04 -1.76 -3.44 116.94 121.86 1ulp h PHE 9 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1ulp h PHE 9 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1ulp h PHE 9 CO 0.60 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.91 1ulp n ASP 10 N -3.65 0.00 0.00 2.17 5.68 -1.26 -3.57 116.55 115.92 1ulp n ASP 10 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 1ulp n ASP 10 Cb 1.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.41 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1ulp n ASP 11 N 2.33 0.00 -3.65 -1.12 2.03 -1.26 -4.80 116.55 110.08 1ulp n ASP 11 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1ulp n ASP 11 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1ulp n ASP 11 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ulp s GLY 12 N 0.00 0.40 0.28 0.27 0.00 -1.23 -4.89 107.32 102.15 1ulp s GLY 12 Ca 0.00 3.56 0.25 0.00 0.00 0.00 0.00 44.72 48.53 1ulp s GLY 12 CO 0.00 2.35 1.75 -0.56 0.00 0.00 0.00 173.10 176.65 1ulp h PRO 13 N 4.37 0.00 0.00 2.90 0.13 -1.90 -3.45 132.00 134.05 1ulp h PRO 13 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ulp h PRO 13 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ulp h PRO 13 CO 0.20 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.36 1ulp n GLU 14 N -2.36 0.00 0.00 0.86 4.71 -1.26 -1.32 120.64 121.27 1ulp n GLU 14 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1ulp n GLU 14 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.73 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ulp n GLY 15 N 0.00 0.52 3.49 0.62 0.00 -1.26 -5.01 105.19 103.54 1ulp n GLY 15 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.97 1.71 -4.33 1.61 7.02 -0.44 -4.66 117.44 117.38 1ulp n TRP 16 Ca 0.00 0.24 -0.30 0.00 -1.02 0.00 0.00 57.50 56.41 1ulp n TRP 16 Cb 0.00 -2.55 -0.10 0.00 -2.42 0.00 0.00 31.31 26.24 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 6.93 3.41 0.11 -0.99 -7.23 -0.66 -4.91 120.40 117.06 1ulp s VAL 17 Ca 1.07 -1.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.17 1ulp s VAL 17 Cb -0.82 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 1ulp s VAL 17 CO 0.49 0.21 -0.14 0.00 -0.31 0.00 0.00 175.10 175.35 1ulp s ALA 18 N -1.14 1.43 0.05 1.32 0.00 -1.26 -0.51 121.76 121.65 1ulp s ALA 18 Ca 0.20 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.83 1ulp s ALA 18 Cb -0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 1ulp s ALA 18 CO 0.12 0.10 0.17 1.52 0.00 0.00 0.00 175.76 177.67 1ulp s TYR 19 N -2.04 0.11 0.00 0.00 -0.85 -0.47 -4.24 117.35 109.86 1ulp s TYR 19 Ca 0.07 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 1ulp s TYR 19 Cb -0.05 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.22 1ulp s TYR 19 CO 0.03 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 1ulp n GLY 20 N 0.60 -1.33 0.41 5.49 0.00 -1.26 -2.62 105.19 106.48 1ulp n GLY 20 Ca -0.18 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.00 -3.01 2.61 -2.24 -1.26 -4.96 114.28 105.42 1ulp n THR 21 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1ulp n THR 21 Cb 0.00 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.00 3.75 -0.03 3.42 2.03 -1.26 -5.00 116.55 119.45 1ulp n ASP 22 Ca 0.00 -3.54 0.00 0.00 0.52 0.00 0.00 54.79 51.77 1ulp n ASP 22 Cb 0.57 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1ulp n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ulp n GLY 23 N -0.08 0.45 3.77 0.27 0.00 -1.26 -4.51 105.19 103.84 1ulp n GLY 23 Ca 0.30 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1ulp n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulp s PRO 24 N 0.00 4.09 1.00 1.61 0.04 -1.26 -4.78 135.00 135.70 1ulp s PRO 24 Ca 0.00 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 1ulp s PRO 24 Cb 0.00 -2.60 -0.12 0.00 0.04 0.00 0.00 34.50 31.82 1ulp s PRO 24 CO 0.00 -0.24 -0.78 1.47 0.04 0.00 0.00 177.00 177.49 1ulp n LEU 25 N -0.02 -4.14 -3.98 -3.56 -0.00 -1.26 -4.99 117.00 99.05 1ulp n LEU 25 Ca 0.05 0.13 -0.18 0.00 -0.00 0.00 0.00 56.01 56.01 1ulp n LEU 25 Cb 0.48 -0.77 -0.15 0.00 -0.00 0.00 0.00 43.42 42.99 1ulp n LEU 25 CO 0.48 -4.54 -0.42 -0.62 -0.00 0.00 0.00 177.39 172.29 1ulp s ASP 26 N -1.21 0.88 0.00 1.45 -1.08 -1.12 -5.02 116.67 110.57 1ulp s ASP 26 Ca 0.42 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.32 1ulp s ASP 26 Cb -0.10 -0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 1ulp s ASP 26 CO 0.75 0.07 0.00 0.35 0.52 0.00 0.00 175.17 176.86 1ulp n THR 27 N 3.06 0.00 0.00 1.71 -2.24 -1.26 -1.40 114.28 114.15 1ulp n THR 27 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1ulp n THR 27 Cb 0.56 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1ulp n THR 27 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ulp n SER 28 N -1.16 0.00 -0.61 3.42 7.64 -1.26 -3.55 113.62 118.09 1ulp n SER 28 Ca 0.00 0.00 0.49 0.00 1.01 0.00 0.00 58.87 60.37 1ulp n SER 28 Cb 0.00 0.00 0.81 0.00 -1.01 0.00 0.00 64.21 64.01 1ulp n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ulp h THR 29 N 0.00 0.11 0.00 0.44 1.03 -1.98 -3.43 112.91 109.07 1ulp h THR 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1ulp h THR 29 Cb 0.00 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.19 1ulp h THR 29 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1ulp n GLY 30 N -1.89 1.13 3.79 2.99 0.00 -1.23 -4.89 105.19 105.09 1ulp n GLY 30 Ca 0.40 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.99 3.59 -0.42 4.61 0.00 -1.26 -4.20 121.76 123.07 1ulp s ALA 31 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 1ulp s ALA 31 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1ulp s ALA 31 CO 0.00 0.27 1.86 -1.17 0.00 0.00 0.00 175.76 176.72 1ulp s LEU 32 N -0.42 3.44 -0.38 0.00 2.96 -0.63 -4.45 118.68 119.20 1ulp s LEU 32 Ca 0.26 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 55.14 1ulp s LEU 32 Cb -0.17 -3.15 0.09 0.00 0.50 0.00 0.00 46.19 43.46 1ulp s LEU 32 CO 0.13 -1.98 0.14 0.00 -1.32 0.00 0.00 176.35 173.32 1ulp s VAL 34 N 1.16 3.94 -0.12 0.00 -7.23 -0.51 -2.81 120.40 114.82 1ulp s VAL 34 Ca 0.05 -0.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.99 1ulp s VAL 34 Cb -0.22 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 1ulp s VAL 34 CO -0.03 -0.44 -0.09 0.00 -0.31 0.00 0.00 175.10 174.22 1ulp s ALA 35 N -2.76 2.79 -0.20 1.32 0.00 -1.26 -3.03 121.76 118.61 1ulp s ALA 35 Ca 0.51 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1ulp s ALA 35 Cb -0.10 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1ulp s ALA 35 CO 0.42 0.31 -0.17 0.08 0.00 0.00 0.00 175.76 176.39 1ulp s VAL 36 N 0.11 2.14 0.40 0.00 1.01 -0.79 -4.51 120.40 118.76 1ulp s VAL 36 Ca -0.04 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.58 1ulp s VAL 36 Cb -0.14 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 1ulp s VAL 36 CO 0.04 0.39 1.17 -2.16 0.00 0.00 0.00 175.10 174.53 1ulp s PRO 37 N 1.25 4.04 0.71 2.72 0.04 -1.26 -2.26 135.00 140.24 1ulp s PRO 37 Ca 0.01 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 1ulp s PRO 37 Cb -0.15 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 1ulp s PRO 37 CO -0.11 -0.34 0.04 0.00 0.04 0.00 0.00 177.00 176.64 1ulp n ALA 38 N 0.04 -2.85 -3.89 8.56 0.00 -1.26 -2.29 120.51 118.82 1ulp n ALA 38 Ca 0.04 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 1ulp n ALA 38 Cb 0.47 -1.56 0.03 0.00 0.00 0.00 0.00 19.45 18.38 1ulp n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ulp n GLY 39 N 2.30 -0.87 1.55 0.00 0.00 -1.24 -4.76 105.19 102.16 1ulp n GLY 39 Ca 0.07 0.38 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.44 5.03 -1.36 1.61 7.64 -0.97 -4.20 113.62 118.93 1ulp n SER 40 Ca -0.11 -2.59 0.04 0.00 1.01 0.00 0.00 58.87 57.22 1ulp n SER 40 Cb 0.58 -0.94 0.25 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.75 3.35 -1.00 -0.43 0.00 -1.26 0.13 120.51 122.05 1ulp n ALA 41 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1ulp n ALA 41 Cb 0.60 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.40 3.34 -0.38 0.00 10.64 -1.26 -4.59 117.38 125.53 1ulp n GLN 42 Ca 0.17 0.00 0.38 0.00 -1.83 0.00 0.00 57.00 55.72 1ulp n GLN 42 Cb 0.83 0.00 0.64 0.00 -0.86 0.00 0.00 30.24 30.86 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 -1.98 -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 2.59 3.87 0.10 0.00 -1.26 -5.05 105.19 103.65 1ulp n GLY 44 Ca 0.30 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 4.87 0.00 1.61 1.01 -1.02 -4.81 120.40 122.06 1ulp s VAL 45 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1ulp s VAL 45 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1ulp s VAL 45 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1ulp n GLY 46 N -0.19 0.45 3.18 4.51 0.00 -1.08 0.14 105.19 112.21 1ulp n GLY 46 Ca 0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 1.82 -0.03 1.61 1.01 -0.29 -1.36 120.40 121.16 1ulp s VAL 47 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.16 1ulp s VAL 47 Cb 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1ulp s VAL 47 CO 0.00 0.51 -0.26 0.68 0.00 0.00 0.00 175.10 176.03 1ulp s VAL 48 N 0.29 2.04 -0.46 2.92 -7.23 0.33 -1.95 120.40 116.34 1ulp s VAL 48 Ca -0.14 -1.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1ulp s VAL 48 Cb -0.16 -1.70 0.14 0.00 0.56 0.00 0.00 36.38 35.23 1ulp s VAL 48 CO 0.06 0.57 0.28 -0.22 -0.31 0.00 0.00 175.10 175.49 1ulp s LEU 49 N -0.51 2.65 -0.52 1.32 2.96 -1.18 -1.65 118.68 121.75 1ulp s LEU 49 Ca 0.07 -2.81 -0.27 0.00 -0.22 0.00 0.00 54.13 50.90 1ulp s LEU 49 Cb -0.11 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1ulp s LEU 49 CO -0.00 -0.23 1.84 0.20 -1.32 0.00 0.00 176.35 176.84 1ulp s ASN 50 N 0.14 5.46 0.00 3.68 -0.87 -1.26 -2.92 114.94 119.18 1ulp s ASN 50 Ca 0.21 0.67 0.00 0.00 -1.57 0.00 0.00 52.86 52.16 1ulp s ASN 50 Cb -0.18 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 1ulp s ASN 50 CO -0.05 -2.16 0.00 0.61 -2.57 0.00 0.00 177.10 172.93 1ulp n GLY 51 N 5.60 -1.40 3.38 0.66 0.00 -1.20 -5.01 105.19 107.22 1ulp n GLY 51 Ca 0.22 0.65 -0.20 0.00 0.00 0.00 0.00 46.02 46.68 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 1.92 -0.53 1.61 1.01 -0.44 -4.44 120.40 119.53 1ulp s VAL 52 Ca 0.00 -2.26 0.04 0.00 0.00 0.00 0.00 61.98 59.76 1ulp s VAL 52 Cb 0.00 -2.12 0.13 0.00 0.00 0.00 0.00 36.38 34.39 1ulp s VAL 52 CO 0.00 -0.54 0.27 0.00 0.00 0.00 0.00 175.10 174.83 1ulp s ALA 53 N -2.86 3.33 0.34 5.51 0.00 -1.24 -4.34 121.76 122.49 1ulp s ALA 53 Ca 0.25 -3.28 0.03 0.00 0.00 0.00 0.00 51.96 48.95 1ulp s ALA 53 Cb -0.02 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1ulp s ALA 53 CO 0.09 -2.03 0.09 0.42 0.00 0.00 0.00 175.76 174.34 1ulp s ILE 54 N -0.30 0.86 -0.30 0.00 -1.09 -1.01 -4.71 121.20 114.65 1ulp s ILE 54 Ca 0.17 -2.00 -0.17 0.00 -2.23 0.00 0.00 60.65 56.42 1ulp s ILE 54 Cb -0.26 -2.61 0.20 0.00 -1.58 0.00 0.00 42.46 38.22 1ulp s ILE 54 CO -0.00 0.00 1.26 -1.83 -1.23 0.00 0.00 174.94 173.14 1ulp s GLU 55 N -3.86 0.08 1.40 2.79 -1.05 -1.21 -2.08 118.70 114.77 1ulp s GLU 55 Ca 0.32 0.13 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1ulp s GLU 55 Cb 0.06 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1ulp s GLU 55 CO 0.15 -0.02 0.00 0.39 0.95 0.00 0.00 175.26 176.73 1ulp n GLU 56 N 2.92 0.00 -1.85 -4.83 -0.58 0.48 -3.18 120.64 113.59 1ulp n GLU 56 Ca -0.16 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.18 1ulp n GLU 56 Cb 0.56 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.42 1ulp n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ulp n GLY 57 N 0.00 4.90 4.00 0.62 0.00 -1.21 -2.38 105.19 111.12 1ulp n GLY 57 Ca 0.00 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 1ulp n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ulp s THR 58 N 0.00 2.46 0.41 2.61 2.01 -0.79 -4.78 115.64 117.56 1ulp s THR 58 Ca 0.56 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 1ulp s THR 58 Cb 0.17 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1ulp s THR 58 CO -0.07 0.00 0.69 -0.89 -0.69 0.00 0.00 174.62 173.65 1ulp s THR 59 N -2.74 4.97 -0.29 -0.82 2.01 -1.26 0.92 115.64 118.43 1ulp s THR 59 Ca 0.60 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.54 1ulp s THR 59 Cb -0.08 -3.84 0.13 0.00 0.01 0.00 0.00 72.50 68.73 1ulp s THR 59 CO 0.39 -0.67 0.63 -0.31 -0.69 0.00 0.00 174.62 173.97 1ulp s TYR 60 N -2.50 -1.31 -0.43 4.92 2.02 0.12 -3.59 117.35 116.58 1ulp s TYR 60 Ca 0.45 2.26 -0.22 0.00 -0.37 0.00 0.00 57.07 59.19 1ulp s TYR 60 Cb -0.10 0.76 0.02 0.00 -0.40 0.00 0.00 41.96 42.24 1ulp s TYR 60 CO 0.39 -0.66 0.72 0.99 -1.57 0.00 0.00 175.55 175.42 1ulp s THR 61 N 2.87 4.74 -0.16 -0.71 2.01 -0.81 -1.74 115.64 121.85 1ulp s THR 61 Ca -0.05 0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.09 1ulp s THR 61 Cb -0.12 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 1ulp s THR 61 CO -0.18 -0.62 0.59 -0.22 -0.69 0.00 0.00 174.62 173.49 1ulp s LEU 62 N 3.05 4.20 -0.05 4.42 2.96 -0.69 -4.20 118.68 128.38 1ulp s LEU 62 Ca 0.27 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1ulp s LEU 62 Cb -0.13 -2.85 0.02 0.00 0.50 0.00 0.00 46.19 43.73 1ulp s LEU 62 CO 0.20 -0.17 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.86 1ulp s ARG 63 N 1.41 1.06 -0.13 1.98 0.52 -1.14 -2.88 118.95 119.76 1ulp s ARG 63 Ca 0.29 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 1ulp s ARG 63 Cb -0.16 -0.98 0.11 0.00 0.52 0.00 0.00 34.95 34.44 1ulp s ARG 63 CO 0.11 -0.03 0.90 1.52 0.02 0.00 0.00 175.30 177.82 1ulp s TYR 64 N 0.77 -0.47 -0.53 -0.53 -0.85 -1.08 -1.90 117.35 112.75 1ulp s TYR 64 Ca -0.12 0.81 0.04 0.00 -0.52 0.00 0.00 57.07 57.28 1ulp s TYR 64 Cb -0.14 0.43 0.13 0.00 0.38 0.00 0.00 41.96 42.76 1ulp s TYR 64 CO 0.01 -0.42 0.28 0.99 -1.52 0.00 0.00 175.55 174.89 1ulp s THR 65 N -1.08 2.66 0.23 -3.49 2.01 -1.26 0.55 115.64 115.26 1ulp s THR 65 Ca -0.04 -3.34 -0.11 0.00 0.31 0.00 0.00 61.69 58.50 1ulp s THR 65 Cb -0.00 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.59 1ulp s THR 65 CO 0.04 -0.81 0.58 0.00 -0.69 0.00 0.00 174.62 173.74 1ulp s ALA 66 N -0.33 3.53 -0.15 7.40 0.00 -0.77 -3.62 121.76 127.81 1ulp s ALA 66 Ca 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 1ulp s ALA 66 Cb -0.25 -2.50 0.06 0.00 0.00 0.00 0.00 23.12 20.42 1ulp s ALA 66 CO -0.01 0.47 0.37 0.99 0.00 0.00 0.00 175.76 177.58 1ulp s THR 67 N -1.79 -0.04 -0.01 0.00 2.01 -0.79 -2.27 115.64 112.75 1ulp s THR 67 Ca 0.47 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.63 1ulp s THR 67 Cb -0.12 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1ulp s THR 67 CO 0.20 0.05 -0.14 0.00 -0.69 0.00 0.00 174.62 174.03 1ulp s ALA 68 N 1.39 2.69 0.60 7.40 0.00 -0.91 -1.16 121.76 131.77 1ulp s ALA 68 Ca -0.09 -1.06 0.29 0.00 0.00 0.00 0.00 51.96 51.10 1ulp s ALA 68 Cb -0.09 -0.91 1.21 0.00 0.00 0.00 0.00 23.12 23.33 1ulp s ALA 68 CO -0.12 0.57 1.58 0.77 0.00 0.00 0.00 175.76 178.57 1ulp h SER 69 N 4.95 0.00 -1.16 0.00 0.02 -1.76 -3.02 113.55 112.58 1ulp h SER 69 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1ulp h SER 69 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1ulp h SER 69 CO 0.50 0.00 0.00 1.07 -1.14 0.00 0.00 176.83 177.26 1ulp n THR 70 N -3.47 0.00 -3.08 -2.27 5.66 -1.26 -4.15 114.28 105.70 1ulp n THR 70 Ca 0.17 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.81 1ulp n THR 70 Cb 1.16 -0.05 -0.02 0.00 -1.55 0.00 0.00 70.33 69.88 1ulp n THR 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ulp n ASP 71 N -0.06 5.58 -4.77 1.09 9.92 -1.26 -2.01 116.55 125.05 1ulp n ASP 71 Ca 0.00 -3.48 -0.39 0.00 -0.53 0.00 0.00 54.79 50.39 1ulp n ASP 71 Cb 0.00 -1.02 -0.06 0.00 -0.64 0.00 0.00 41.12 39.41 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 -3.04 4.84 -0.48 2.53 0.11 -1.24 -4.71 120.40 118.42 1ulp s VAL 72 Ca 0.36 1.32 0.04 0.00 -2.93 0.00 0.00 61.98 60.77 1ulp s VAL 72 Cb 0.12 -3.97 0.13 0.00 -1.53 0.00 0.00 36.38 31.13 1ulp s VAL 72 CO 0.02 0.43 0.23 -0.89 -3.33 0.00 0.00 175.10 171.56 1ulp s THR 73 N -0.30 2.31 0.00 5.04 2.01 -1.26 -0.56 115.64 122.88 1ulp s THR 73 Ca 0.32 -3.03 0.00 0.00 0.31 0.00 0.00 61.69 59.29 1ulp s THR 73 Cb -0.19 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.70 1ulp s THR 73 CO 0.19 -0.79 0.00 1.33 -0.69 0.00 0.00 174.62 174.66 1ulp n VAL 74 N 3.36 0.00 -4.03 3.82 0.24 -1.26 -4.87 118.33 115.59 1ulp n VAL 74 Ca 0.05 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.03 1ulp n VAL 74 Cb 0.34 -1.36 -0.15 0.00 -1.47 0.00 0.00 33.84 31.20 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 1.49 2.09 0.27 7.34 0.52 -1.18 -3.38 118.95 126.09 1ulp s ARG 75 Ca 0.00 -1.47 0.09 0.00 -0.52 0.00 0.00 55.73 53.83 1ulp s ARG 75 Cb 0.00 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 1ulp s ARG 75 CO 0.00 -0.67 0.03 0.00 0.02 0.00 0.00 175.30 174.68 1ulp s ALA 76 N 1.08 3.25 0.00 2.13 0.00 -0.30 -1.61 121.76 126.30 1ulp s ALA 76 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1ulp s ALA 76 Cb -0.20 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1ulp s ALA 76 CO -0.05 0.24 0.00 1.47 0.00 0.00 0.00 175.76 177.42 1ulp n LEU 77 N -0.95 0.00 -4.02 0.00 -0.00 -0.85 -2.97 117.00 108.21 1ulp n LEU 77 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.85 1ulp n LEU 77 Cb 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.94 1ulp n LEU 77 CO 0.41 0.00 0.02 -0.69 -0.00 0.00 0.00 177.39 177.13 1ulp s VAL 78 N -3.33 0.03 -0.65 1.47 1.01 -1.26 -2.12 120.40 115.54 1ulp s VAL 78 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1ulp s VAL 78 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1ulp s VAL 78 CO 0.00 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.59 1ulp n GLY 79 N -0.29 -1.30 0.00 4.51 0.00 -1.16 -2.88 105.19 104.06 1ulp n GLY 79 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.08 2.06 -2.82 1.61 7.27 -0.84 -1.27 117.38 123.30 1ulp n GLN 80 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 1ulp n GLN 80 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 1ulp n GLN 80 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1ulp s ASN 81 N -1.00 -0.88 0.00 1.69 -0.87 0.54 -4.47 114.94 109.95 1ulp s ASN 81 Ca 0.00 -0.81 0.00 0.00 -1.57 0.00 0.00 52.86 50.48 1ulp s ASN 81 Cb 0.00 1.15 0.00 0.00 -0.02 0.00 0.00 41.25 42.38 1ulp s ASN 81 CO 0.00 -0.06 0.00 0.61 -2.57 0.00 0.00 177.10 175.08 1ulp n GLY 82 N 3.27 0.00 1.65 0.66 0.00 -1.26 -2.90 105.19 106.61 1ulp n GLY 82 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp n ALA 83 N 0.00 -1.97 0.83 4.61 0.00 -1.26 -4.51 120.51 118.20 1ulp n ALA 83 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1ulp n ALA 83 Cb 0.00 -1.47 0.03 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 -1.93 1.32 -2.03 0.00 -0.04 -1.26 -4.68 135.00 126.39 1ulp n PRO 84 Ca 0.00 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 1ulp n PRO 84 Cb 0.29 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.09 -5.06 -3.41 0.54 4.01 -1.26 -5.03 117.16 107.04 1ulp n TYR 85 Ca 0.03 2.88 -0.07 0.00 -0.16 0.00 0.00 57.90 60.58 1ulp n TYR 85 Cb 0.37 -3.75 -0.07 0.00 -0.31 0.00 0.00 39.34 35.58 1ulp n TYR 85 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1ulp s GLY 86 N -1.15 -0.48 0.04 2.72 0.00 -1.26 -4.92 107.32 102.27 1ulp s GLY 86 Ca 0.00 1.23 -0.04 0.00 0.00 0.00 0.00 44.72 45.91 1ulp s GLY 86 CO 0.00 2.70 0.26 -0.51 0.00 0.00 0.00 173.10 175.55 1ulp s THR 87 N 2.61 5.32 -0.00 0.90 -4.23 -1.26 -1.99 115.64 116.99 1ulp s THR 87 Ca 0.09 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1ulp s THR 87 Cb -0.14 -3.59 -0.00 0.00 1.34 0.00 0.00 72.50 70.11 1ulp s THR 87 CO -0.16 0.24 0.00 1.33 -0.54 0.00 0.00 174.62 175.49 1ulp n VAL 88 N 0.68 0.00 -4.18 2.29 0.24 -1.14 -4.89 118.33 111.33 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 0.52 0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 33.20 1ulp n VAL 88 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ulp s LEU 89 N -3.08 3.78 -0.41 1.34 1.02 -1.25 -4.87 118.68 115.21 1ulp s LEU 89 Ca -0.00 0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.33 1ulp s LEU 89 Cb 0.00 -2.11 0.17 0.00 0.02 0.00 0.00 46.19 44.27 1ulp s LEU 89 CO 0.00 0.30 0.48 -1.81 0.02 0.00 0.00 176.35 175.34 1ulp s ASP 90 N -1.49 0.31 0.38 2.29 1.01 -1.26 -4.00 116.67 113.90 1ulp s ASP 90 Ca 0.20 -1.79 -0.16 0.00 0.71 0.00 0.00 52.55 51.51 1ulp s ASP 90 Cb -0.12 0.84 0.05 0.00 1.01 0.00 0.00 42.92 44.71 1ulp s ASP 90 CO 0.10 -0.19 0.78 0.42 0.21 0.00 0.00 175.17 176.50 1ulp s THR 91 N 1.11 0.00 -0.10 -1.27 -4.23 -1.16 -5.08 115.64 104.91 1ulp s THR 91 Ca 0.22 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.77 1ulp s THR 91 Cb -0.07 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1ulp s THR 91 CO -0.07 0.00 -0.24 -0.44 -0.54 0.00 0.00 174.62 173.34 1ulp s SER 92 N -3.06 3.09 -1.17 3.99 0.01 -1.26 -1.15 113.70 114.16 1ulp s SER 92 Ca 0.15 -0.56 -0.21 0.00 1.31 0.00 0.00 55.95 56.63 1ulp s SER 92 Cb -0.05 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.71 1ulp s SER 92 CO 0.11 0.16 1.90 -0.81 0.41 0.00 0.00 173.24 175.01 1ulp n PRO 93 N 3.54 1.95 -1.61 12.44 -0.04 -1.22 -4.85 135.00 145.22 1ulp n PRO 93 Ca -0.19 -2.57 -0.45 0.00 -0.04 0.00 0.00 63.50 60.25 1ulp n PRO 93 Cb 0.53 -3.58 -0.02 0.00 -0.04 0.00 0.00 33.50 30.39 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 12.19 -0.01 -2.49 0.55 0.00 -1.26 -4.21 120.51 125.28 1ulp n ALA 94 Ca 0.46 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 54.06 1ulp n ALA 94 Cb 0.46 -2.07 -0.09 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 0.28 1.99 0.00 0.00 1.43 0.28 -4.92 118.68 117.74 1ulp s LEU 95 Ca 0.61 -1.61 -0.21 0.00 -1.03 0.00 0.00 54.13 51.89 1ulp s LEU 95 Cb -0.70 -0.13 0.07 0.00 0.03 0.00 0.00 46.19 45.46 1ulp s LEU 95 CO 0.58 -0.87 0.99 1.07 0.23 0.00 0.00 176.35 178.34 1ulp n THR 96 N -0.85 0.00 0.62 5.49 5.66 -0.85 -3.66 114.28 120.69 1ulp n THR 96 Ca -0.05 -0.36 0.07 0.00 -3.05 0.00 0.00 64.05 60.67 1ulp n THR 96 Cb 0.65 0.61 0.35 0.00 -1.55 0.00 0.00 70.33 70.40 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 -1.11 0.00 -4.90 1.09 3.41 -1.14 -2.15 113.62 108.82 1ulp n SER 97 Ca 0.00 0.28 -0.25 0.00 -0.26 0.00 0.00 58.87 58.64 1ulp n SER 97 Cb 0.51 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.78 2.28 0.14 4.33 2.02 -1.26 -4.95 118.70 118.48 1ulp s GLU 98 Ca 0.11 -1.94 -0.30 0.00 0.02 0.00 0.00 54.97 52.85 1ulp s GLU 98 Cb 0.10 -2.15 -0.07 0.00 0.10 0.00 0.00 34.13 32.11 1ulp s GLU 98 CO 0.25 -0.57 1.22 -1.25 0.02 0.00 0.00 175.26 174.94 1ulp s PRO 99 N -4.27 4.45 -0.59 0.39 0.04 -1.26 -4.63 135.00 129.13 1ulp s PRO 99 Ca 0.37 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.33 1ulp s PRO 99 Cb -0.02 -3.27 0.15 0.00 0.04 0.00 0.00 34.50 31.39 1ulp s PRO 99 CO 0.23 -0.18 0.35 0.50 0.04 0.00 0.00 177.00 177.94 1ulp s ARG 100 N 0.30 2.19 0.63 4.56 3.00 -0.96 -5.01 118.95 123.64 1ulp s ARG 100 Ca 0.56 -2.88 -0.15 0.00 -1.00 0.00 0.00 55.73 52.26 1ulp s ARG 100 Cb -0.32 -3.38 -0.02 0.00 0.00 0.00 0.00 34.95 31.23 1ulp s ARG 100 CO 0.34 -1.17 1.07 -0.65 0.00 0.00 0.00 175.30 174.88 1ulp s GLN 101 N -0.70 3.13 -0.01 5.12 -0.21 -1.26 -1.85 119.66 123.88 1ulp s GLN 101 Ca 0.20 1.19 0.02 0.00 0.02 0.00 0.00 55.36 56.79 1ulp s GLN 101 Cb -0.18 -2.01 -0.00 0.00 1.00 0.00 0.00 33.01 31.82 1ulp s GLN 101 CO -0.06 -0.96 -0.06 0.08 -2.12 0.00 0.00 175.29 172.17 1ulp s VAL 102 N -2.55 0.53 -0.22 1.09 1.01 0.19 -4.89 120.40 115.56 1ulp s VAL 102 Ca 0.63 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1ulp s VAL 102 Cb -0.16 -0.46 0.11 0.00 0.00 0.00 0.00 36.38 35.87 1ulp s VAL 102 CO 0.41 0.16 0.35 -0.89 0.00 0.00 0.00 175.10 175.13 1ulp s THR 103 N 0.01 -0.55 -0.24 3.92 2.01 -1.26 -2.64 115.64 116.90 1ulp s THR 103 Ca 0.00 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 1ulp s THR 103 Cb -0.05 -0.74 0.07 0.00 0.01 0.00 0.00 72.50 71.80 1ulp s THR 103 CO -0.00 -0.08 0.59 -1.61 -0.69 0.00 0.00 174.62 172.83 1ulp s GLU 104 N 2.51 0.63 -0.75 4.92 2.02 -1.14 -5.01 118.70 121.88 1ulp s GLU 104 Ca 0.09 1.00 -0.17 0.00 0.02 0.00 0.00 54.97 55.91 1ulp s GLU 104 Cb -0.15 0.16 0.15 0.00 0.10 0.00 0.00 34.13 34.40 1ulp s GLU 104 CO -0.14 -0.13 0.82 0.99 0.02 0.00 0.00 175.26 176.82 1ulp s THR 105 N 1.18 5.09 0.23 3.63 2.01 -1.26 -1.70 115.64 124.82 1ulp s THR 105 Ca -0.07 -1.67 -0.04 0.00 0.31 0.00 0.00 61.69 60.23 1ulp s THR 105 Cb -0.06 -4.55 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 1ulp s THR 105 CO -0.12 -1.17 0.47 0.72 -0.69 0.00 0.00 174.62 173.83 1ulp s PHE 106 N 1.77 3.47 -0.66 4.92 -0.12 -0.71 -4.79 117.98 121.86 1ulp s PHE 106 Ca 0.18 0.54 -0.21 0.00 -0.05 0.00 0.00 56.93 57.39 1ulp s PHE 106 Cb -0.15 -2.01 0.08 0.00 -0.63 0.00 0.00 43.02 40.31 1ulp s PHE 106 CO -0.03 0.29 0.91 0.99 -0.05 0.00 0.00 175.22 177.34 1ulp s THR 107 N -1.93 4.46 -0.39 -4.49 2.01 -1.26 -0.70 115.64 113.34 1ulp s THR 107 Ca 0.42 -0.59 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 1ulp s THR 107 Cb -0.11 -4.65 -0.07 0.00 0.01 0.00 0.00 72.50 67.68 1ulp s THR 107 CO 0.28 -1.39 2.34 0.00 -0.69 0.00 0.00 174.62 175.17 1ulp n ALA 108 N 7.32 1.18 -1.71 7.40 0.00 0.26 -4.78 120.51 130.19 1ulp n ALA 108 Ca -0.03 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.49 1ulp n ALA 108 Cb 0.45 -3.03 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 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 13.76 7.07 0.00 0.00 3.41 -1.26 -1.88 113.62 134.72 1ulp n SER 109 Ca 0.36 -3.22 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1ulp n SER 109 Cb 0.47 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 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 1.09 0.00 -3.44 7.33 0.00 -1.00 -4.82 120.51 119.67 1ulp n ALA 110 Ca 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.88 1ulp n ALA 110 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.61 -0.59 -0.89 0.00 2.01 -1.26 0.18 115.64 113.48 1ulp s THR 111 Ca 0.00 -0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1ulp s THR 111 Cb 0.00 -0.75 0.23 0.00 0.01 0.00 0.00 72.50 71.99 1ulp s THR 111 CO 0.00 -0.07 0.84 -1.22 -0.69 0.00 0.00 174.62 173.48 1ulp n TYR 112 N 5.37 3.99 -0.80 4.92 4.01 -0.88 -4.44 117.16 129.32 1ulp n TYR 112 Ca -0.05 -4.01 -0.12 0.00 -0.16 0.00 0.00 57.90 53.56 1ulp n TYR 112 Cb 0.50 -1.08 0.10 0.00 -0.31 0.00 0.00 39.34 38.55 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 2.06 -1.73 -2.59 -0.72 -0.04 -1.26 -2.41 135.00 128.30 1ulp n PRO 113 Ca 0.23 -0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 62.86 1ulp n PRO 113 Cb 0.37 -0.66 0.03 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.72 3.57 -3.49 0.55 0.00 -1.26 -3.35 120.51 112.81 1ulp n ALA 114 Ca -0.08 -3.24 -0.29 0.00 0.00 0.00 0.00 53.44 49.82 1ulp n ALA 114 Cb 0.24 -0.75 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 1ulp n ALA 114 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ulp s THR 115 N -3.99 0.07 -0.20 0.00 -1.32 -1.26 -5.10 115.64 103.84 1ulp s THR 115 Ca 0.34 -1.36 -0.29 0.00 -1.21 0.00 0.00 61.69 59.17 1ulp s THR 115 Cb 0.38 -1.07 -0.02 0.00 -1.51 0.00 0.00 72.50 70.28 1ulp s THR 115 CO -0.02 -0.89 1.41 -2.16 -2.21 0.00 0.00 174.62 170.75 1ulp s PRO 116 N 1.45 4.04 0.18 7.08 0.04 -1.25 -4.56 135.00 141.97 1ulp s PRO 116 Ca 0.15 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1ulp s PRO 116 Cb -0.20 -3.89 -0.01 0.00 0.04 0.00 0.00 34.50 30.44 1ulp s PRO 116 CO -0.13 -0.98 0.10 0.00 0.04 0.00 0.00 177.00 176.03 1ulp n ALA 117 N 7.39 0.31 0.21 8.56 0.00 -1.09 -4.92 120.51 130.97 1ulp n ALA 117 Ca 0.16 -0.96 0.04 0.00 0.00 0.00 0.00 53.44 52.67 1ulp n ALA 117 Cb 0.45 0.71 0.18 0.00 0.00 0.00 0.00 19.45 20.79 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 -1.99 1.27 -2.00 0.00 0.00 -1.26 -3.20 120.51 113.33 1ulp n ALA 118 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ulp n ALA 118 Cb 0.29 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.59 -0.01 -4.01 0.00 5.68 -1.26 -5.04 116.55 110.32 1ulp n ASP 119 Ca 0.01 -1.18 -0.33 0.00 -0.50 0.00 0.00 54.79 52.79 1ulp n ASP 119 Cb 0.07 -0.03 -0.12 0.00 -1.14 0.00 0.00 41.12 39.90 1ulp n ASP 119 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ulp s ASP 120 N -0.19 4.79 0.61 -1.12 1.01 -1.20 -5.08 116.67 115.50 1ulp s ASP 120 Ca 0.00 -3.05 -0.15 0.00 0.71 0.00 0.00 52.55 50.06 1ulp s ASP 120 Cb 0.00 -1.74 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 1ulp s ASP 120 CO -0.00 -0.27 1.06 -2.16 0.21 0.00 0.00 175.17 174.01 1ulp s PRO 121 N -0.34 3.22 0.00 8.23 0.04 -1.26 -2.67 135.00 142.21 1ulp s PRO 121 Ca 0.18 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1ulp s PRO 121 Cb -0.21 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ulp s PRO 121 CO -0.03 -0.89 0.00 -0.85 0.04 0.00 0.00 177.00 175.27 1ulp n GLU 122 N -2.16 2.85 -4.09 4.56 0.28 -1.14 -4.43 120.64 116.51 1ulp n GLU 122 Ca 0.09 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.98 1ulp n GLU 122 Cb 0.53 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.29 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 123 N -0.41 0.54 0.00 -1.84 0.00 -1.21 0.20 107.32 104.59 1ulp s GLY 123 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1ulp s GLY 123 CO 0.00 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 172.64 1ulp n GLN 124 N 0.79 0.00 -4.90 2.90 -0.00 -0.40 -1.33 117.38 114.45 1ulp n GLN 124 Ca -0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.51 1ulp n GLN 124 Cb 0.58 0.00 -0.14 0.00 -0.00 0.00 0.00 30.24 30.68 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1ulp s ILE 125 N -2.08 2.42 -0.15 -0.39 1.01 -1.15 -2.99 121.20 117.87 1ulp s ILE 125 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.46 1ulp s ILE 125 Cb 0.00 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1ulp s ILE 125 CO 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 174.94 175.16 1ulp s ALA 126 N -0.80 2.32 -0.41 9.38 0.00 -0.90 -3.11 121.76 128.24 1ulp s ALA 126 Ca 0.12 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1ulp s ALA 126 Cb -0.10 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.04 1ulp s ALA 126 CO 0.02 -0.13 0.15 -0.06 0.00 0.00 0.00 175.76 175.74 1ulp s PHE 127 N 0.96 3.58 -0.85 0.00 0.08 -0.82 -2.01 117.98 118.93 1ulp s PHE 127 Ca -0.03 -2.94 -0.20 0.00 0.12 0.00 0.00 56.93 53.87 1ulp s PHE 127 Cb -0.15 -2.97 0.11 0.00 -0.57 0.00 0.00 43.02 39.44 1ulp s PHE 127 CO -0.05 -0.90 1.09 -0.65 -0.10 0.00 0.00 175.22 174.61 1ulp s GLN 128 N 0.60 3.44 -0.56 0.44 -1.52 -0.63 -1.14 119.66 120.29 1ulp s GLN 128 Ca 0.12 -1.44 -0.03 0.00 -1.95 0.00 0.00 55.36 52.07 1ulp s GLN 128 Cb -0.21 -4.72 0.20 0.00 -0.22 0.00 0.00 33.01 28.06 1ulp s GLN 128 CO -0.05 -1.81 2.38 1.28 -0.25 0.00 0.00 175.29 176.84 1ulp n LEU 129 N 7.03 6.89 -4.52 2.90 4.77 0.38 -3.11 117.00 131.33 1ulp n LEU 129 Ca 0.15 -4.16 -0.43 0.00 -0.03 0.00 0.00 56.01 51.54 1ulp n LEU 129 Cb 0.48 -1.13 -0.01 0.00 -2.33 0.00 0.00 43.42 40.43 1ulp n LEU 129 CO 0.56 1.63 1.57 -0.83 -1.33 0.00 0.00 177.39 178.98 1ulp s GLY 130 N -0.29 1.86 -0.15 -0.72 0.00 -0.62 -2.43 107.32 104.98 1ulp s GLY 130 Ca 0.53 -2.93 -0.10 0.00 0.00 0.00 0.00 44.72 42.22 1ulp s GLY 130 CO -0.21 2.41 0.20 0.61 0.00 0.00 0.00 173.10 176.10 1ulp n GLY 131 N 5.24 -4.19 0.09 0.20 0.00 0.35 -4.63 105.19 102.25 1ulp n GLY 131 Ca 0.39 1.45 0.00 0.00 0.00 0.00 0.00 46.02 47.86 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 1.91 0.00 -2.40 1.61 3.72 -1.26 -4.82 117.46 116.22 1ulp n PHE 132 Ca -0.34 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 56.89 1ulp n PHE 132 Cb 0.52 0.02 0.09 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.57 0.86 0.00 4.37 2.88 -1.26 -4.57 113.62 114.32 1ulp n SER 133 Ca 0.00 -1.76 0.00 0.00 -1.33 0.00 0.00 58.87 55.78 1ulp n SER 133 Cb 0.02 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 -3.02 0.00 -1.42 -1.46 0.00 -1.26 -4.78 120.51 108.57 1ulp n ALA 134 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1ulp n ALA 134 Cb 0.42 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.08 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ulp s ASP 135 N -1.00 2.04 0.07 0.00 1.11 -1.26 -3.63 116.67 114.01 1ulp s ASP 135 Ca 0.00 0.58 -0.36 0.00 0.18 0.00 0.00 52.55 52.95 1ulp s ASP 135 Cb 0.00 -0.82 -0.16 0.00 1.07 0.00 0.00 42.92 43.01 1ulp s ASP 135 CO 0.00 -3.42 1.44 0.00 1.18 0.00 0.00 175.17 174.37 1ulp n ALA 136 N -4.28 -0.30 -3.26 5.23 0.00 -1.26 -4.63 120.51 112.01 1ulp n ALA 136 Ca 0.13 0.48 -0.00 0.00 0.00 0.00 0.00 53.44 54.05 1ulp n ALA 136 Cb 0.59 -2.17 -0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 3.07 -0.00 -3.83 0.00 2.14 -0.96 -4.82 117.44 113.05 1ulp n TRP 137 Ca 0.19 -0.02 -0.08 0.00 2.07 0.00 0.00 57.50 59.66 1ulp n TRP 137 Cb 0.21 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.72 1ulp n TRP 137 CO 0.00 0.00 0.00 -0.08 2.07 0.00 0.00 177.69 179.68 1ulp s THR 138 N -1.76 0.00 0.05 -1.67 -1.32 -1.26 -1.89 115.64 107.79 1ulp s THR 138 Ca 0.00 -0.97 0.06 0.00 -1.21 0.00 0.00 61.69 59.57 1ulp s THR 138 Cb 0.00 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1ulp s THR 138 CO 0.00 0.00 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.48 1ulp s LEU 139 N -3.02 2.20 -0.31 9.08 1.02 -1.17 -3.61 118.68 122.87 1ulp s LEU 139 Ca 0.14 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 53.77 1ulp s LEU 139 Cb -0.05 -0.75 0.14 0.00 0.02 0.00 0.00 46.19 45.55 1ulp s LEU 139 CO 0.09 0.06 0.32 0.00 0.02 0.00 0.00 176.35 176.85 1ulp n LEU 141 N 5.06 0.00 0.00 0.00 4.77 -0.34 -1.88 117.00 124.62 1ulp n LEU 141 Ca 0.01 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 1ulp n LEU 141 Cb 0.46 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1ulp n LEU 141 CO 0.02 -0.84 0.00 -0.90 -1.33 0.00 0.00 177.39 174.35 1ulp n ASP 142 N -2.89 0.00 0.00 -1.43 5.68 -1.24 -1.61 116.55 115.07 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 -0.90 -1.33 0.00 0.00 177.20 174.97 1ulp n ASP 143 N 0.00 0.00 -4.58 -1.12 5.75 -1.24 -3.92 116.55 111.44 1ulp n ASP 143 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 1ulp n ASP 143 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ulp s VAL 144 N 0.00 4.86 -0.02 2.12 1.01 -0.97 -2.97 120.40 124.43 1ulp s VAL 144 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1ulp s VAL 144 Cb 0.00 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1ulp s VAL 144 CO 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 175.10 174.77 1ulp s ALA 145 N 2.77 0.29 -0.02 5.51 0.00 -0.80 -4.09 121.76 125.43 1ulp s ALA 145 Ca 0.26 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1ulp s ALA 145 Cb -0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1ulp s ALA 145 CO 0.15 -0.02 -0.14 -1.17 0.00 0.00 0.00 175.76 174.58 1ulp s LEU 146 N 0.64 1.94 -0.28 0.00 2.96 -1.26 -2.90 118.68 119.78 1ulp s LEU 146 Ca -0.06 -0.26 -0.35 0.00 -0.22 0.00 0.00 54.13 53.24 1ulp s LEU 146 Cb -0.09 -0.74 0.17 0.00 0.50 0.00 0.00 46.19 46.03 1ulp s LEU 146 CO -0.01 0.14 1.36 -0.62 -1.32 0.00 0.00 176.35 175.91 1ulp s ASP 147 N -0.12 -0.03 0.53 3.68 -1.08 -1.26 -4.41 116.67 113.98 1ulp s ASP 147 Ca 0.01 0.01 -0.00 0.00 -0.52 0.00 0.00 52.55 52.05 1ulp s ASP 147 Cb -0.08 0.03 0.03 0.00 -1.46 0.00 0.00 42.92 41.44 1ulp s ASP 147 CO 0.00 -0.04 0.21 -1.54 0.52 0.00 0.00 175.17 174.32 1ulp n SER 148 N 0.18 0.23 -4.16 -0.34 3.41 -1.24 -1.92 113.62 109.79 1ulp n SER 148 Ca 0.03 -1.21 -0.35 0.00 -0.26 0.00 0.00 58.87 57.08 1ulp n SER 148 Cb 0.57 -0.14 0.11 0.00 -0.26 0.00 0.00 64.21 64.50 1ulp n SER 148 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ulp n GLU 149 N -1.39 -0.87 -0.95 4.33 2.13 -1.26 -4.80 120.64 117.83 1ulp n GLU 149 Ca 0.03 -0.24 -0.35 0.00 0.66 0.00 0.00 57.16 57.25 1ulp n GLU 149 Cb 0.12 -1.40 0.06 0.00 0.27 0.00 0.00 31.44 30.49 1ulp n GLU 149 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1ulp n VAL 150 N -3.97 0.00 -4.40 6.31 3.14 -1.26 -4.99 118.33 113.17 1ulp n VAL 150 Ca -0.00 -0.39 -0.25 0.00 -2.96 0.00 0.00 64.34 60.74 1ulp n VAL 150 Cb 0.67 -0.15 -0.09 0.00 -1.06 0.00 0.00 33.84 33.21 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 -2.40 2.02 0.00 1.45 2.56 -1.26 -5.23 118.70 115.84 1ulp s GLU 151 Ca 0.44 -1.85 0.13 0.00 0.00 0.00 0.00 54.97 53.69 1ulp s GLU 151 Cb -0.16 -1.85 0.77 0.00 2.00 0.00 0.00 34.13 34.89 1ulp s GLU 151 CO 0.78 0.09 1.20 -0.11 -0.56 0.00 0.00 175.26 176.66