#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulp s SER 2 N 0.00 -0.20 0.00 0.00 1.04 -1.26 -5.17 113.70 108.11 1ulp s SER 2 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1ulp s SER 2 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1ulp s SER 2 CO 0.00 -0.92 0.00 -0.81 0.98 0.00 0.00 173.24 172.49 1ulp n PRO 3 N -0.45 1.69 -0.09 4.02 -0.04 -1.26 -4.85 135.00 134.02 1ulp n PRO 3 Ca -0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1ulp n PRO 3 Cb 0.61 0.00 0.36 0.00 -0.04 0.00 0.00 33.50 34.43 1ulp n PRO 3 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ulp n ILE 4 N -0.12 0.22 0.00 0.52 -5.35 -1.25 -4.97 119.36 108.41 1ulp n ILE 4 Ca 0.00 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1ulp n ILE 4 Cb 0.00 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 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 1.14 0.76 2.39 3.28 0.00 -1.26 -4.91 105.19 106.59 1ulp n GLY 5 Ca 0.16 -2.04 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 0.59 0.00 1.61 4.07 -1.26 -4.84 120.64 120.81 1ulp n GLU 6 Ca 0.00 -3.38 0.00 0.00 -0.06 0.00 0.00 57.16 53.72 1ulp n GLU 6 Cb 0.00 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 29.75 1ulp n GLU 6 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ulp n GLY 7 N 2.27 0.50 3.79 8.31 0.00 -1.26 -4.99 105.19 113.81 1ulp n GLY 7 Ca 0.27 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 1ulp n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 8 N 0.00 3.84 0.43 2.61 -4.23 -1.25 -1.64 115.64 115.40 1ulp s THR 8 Ca 0.00 1.38 0.29 0.00 -1.18 0.00 0.00 61.69 62.18 1ulp s THR 8 Cb 0.00 -3.70 0.47 0.00 1.34 0.00 0.00 72.50 70.62 1ulp s THR 8 CO 0.00 -0.02 1.64 -0.26 -0.54 0.00 0.00 174.62 175.44 1ulp h PHE 9 N 2.46 0.54 -7.06 3.99 0.04 -1.83 -3.45 116.94 111.64 1ulp h PHE 9 Ca -0.48 0.02 -0.47 0.00 2.80 0.00 0.00 57.97 59.84 1ulp h PHE 9 Cb 1.21 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 39.20 1ulp h PHE 9 CO 0.59 -0.17 -0.79 -0.40 -0.60 0.00 0.00 178.31 176.93 1ulp n ASP 10 N -4.69 -2.92 0.00 2.17 5.75 -1.26 -4.10 116.55 111.50 1ulp n ASP 10 Ca 0.36 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 1ulp n ASP 10 Cb 1.36 -1.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ulp n ASP 11 N -1.49 0.00 -1.56 -1.12 2.03 -1.26 -5.13 116.55 108.03 1ulp n ASP 11 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1ulp n ASP 11 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1ulp n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ulp n GLY 12 N 0.00 0.72 3.58 0.27 0.00 -1.26 -4.70 105.19 103.80 1ulp n GLY 12 Ca 0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 1ulp n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ulp s PRO 13 N -2.01 3.15 0.06 1.61 0.04 -1.26 -4.82 135.00 131.77 1ulp s PRO 13 Ca 0.06 -1.47 -0.11 0.00 0.04 0.00 0.00 61.00 59.52 1ulp s PRO 13 Cb -0.00 -5.36 -0.02 0.00 0.04 0.00 0.00 34.50 29.15 1ulp s PRO 13 CO 0.00 -3.19 0.98 -1.91 0.04 0.00 0.00 177.00 172.92 1ulp n GLU 14 N 8.38 -0.15 -0.11 4.56 2.13 -1.26 -3.93 120.64 130.25 1ulp n GLU 14 Ca 0.46 0.97 0.00 0.00 0.66 0.00 0.00 57.16 59.25 1ulp n GLU 14 Cb 0.47 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.74 1ulp n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ulp n GLY 15 N -1.09 -1.48 3.59 8.31 0.00 -1.26 -5.06 105.19 108.21 1ulp n GLY 15 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ulp n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulp s TRP 16 N 0.00 2.18 0.11 1.61 0.52 -1.25 -4.42 118.94 117.70 1ulp s TRP 16 Ca 0.00 0.63 0.05 0.00 0.02 0.00 0.00 56.10 56.80 1ulp s TRP 16 Cb 0.00 -4.27 -0.04 0.00 -1.15 0.00 0.00 33.47 28.01 1ulp s TRP 16 CO 0.00 -2.23 0.01 0.14 0.02 0.00 0.00 176.95 174.89 1ulp s VAL 17 N 6.18 3.99 -0.12 4.03 -7.23 -0.83 -4.94 120.40 121.47 1ulp s VAL 17 Ca 0.64 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1ulp s VAL 17 Cb -0.15 -2.93 0.03 0.00 0.56 0.00 0.00 36.38 33.89 1ulp s VAL 17 CO 0.30 0.05 -0.05 0.00 -0.31 0.00 0.00 175.10 175.10 1ulp s ALA 18 N -1.43 1.24 0.47 1.32 0.00 -1.26 -0.90 121.76 121.20 1ulp s ALA 18 Ca 0.26 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1ulp s ALA 18 Cb -0.11 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.06 1ulp s ALA 18 CO 0.19 -0.57 0.43 1.52 0.00 0.00 0.00 175.76 177.33 1ulp s TYR 19 N 1.74 2.22 0.00 0.00 -0.85 -0.81 -4.58 117.35 115.08 1ulp s TYR 19 Ca 0.03 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 55.96 1ulp s TYR 19 Cb -0.13 -2.10 0.00 0.00 0.38 0.00 0.00 41.96 40.11 1ulp s TYR 19 CO -0.08 -0.35 0.00 0.41 -1.52 0.00 0.00 175.55 174.01 1ulp n GLY 20 N -1.69 2.13 0.00 5.49 0.00 -1.26 -2.85 105.19 107.01 1ulp n GLY 20 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1ulp n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulp n THR 21 N -2.00 0.00 -2.43 2.61 -2.24 -1.26 -4.83 114.28 104.13 1ulp n THR 21 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1ulp n THR 21 Cb 0.00 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.32 1ulp n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ulp s ASP 22 N 1.50 4.49 -0.34 3.42 2.15 -1.26 -5.03 116.67 121.60 1ulp s ASP 22 Ca 0.00 -0.03 0.08 0.00 0.43 0.00 0.00 52.55 53.02 1ulp s ASP 22 Cb 0.00 -0.47 0.45 0.00 -0.30 0.00 0.00 42.92 42.60 1ulp s ASP 22 CO 0.00 -1.76 1.15 0.61 -0.17 0.00 0.00 175.17 174.99 1ulp n GLY 23 N -2.87 5.78 1.56 2.66 0.00 -1.26 -4.53 105.19 106.54 1ulp n GLY 23 Ca 0.12 -2.55 -0.02 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.60 1.13 -1.51 1.61 -0.04 -1.26 -4.90 135.00 129.43 1ulp n PRO 24 Ca 0.39 -0.14 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 1ulp n PRO 24 Cb 0.85 -1.12 -0.17 0.00 -0.04 0.00 0.00 33.50 33.01 1ulp n PRO 24 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ulp n LEU 25 N 1.59 -0.22 -4.63 1.53 4.77 -1.26 -4.75 117.00 114.02 1ulp n LEU 25 Ca 0.05 -0.47 -0.43 0.00 -0.03 0.00 0.00 56.01 55.13 1ulp n LEU 25 Cb 0.55 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1ulp n LEU 25 CO 0.02 -1.41 1.17 -0.62 -1.33 0.00 0.00 177.39 175.21 1ulp s ASP 26 N 5.03 6.67 -0.01 -1.43 2.15 -0.96 -4.76 116.67 123.36 1ulp s ASP 26 Ca 1.25 1.36 0.01 0.00 0.43 0.00 0.00 52.55 55.59 1ulp s ASP 26 Cb -0.81 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.26 1ulp s ASP 26 CO 0.46 -1.06 0.00 0.35 -0.17 0.00 0.00 175.17 174.75 1ulp n THR 27 N 6.10 0.04 -1.43 1.71 -2.24 -1.23 -1.46 114.28 115.78 1ulp n THR 27 Ca 0.15 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.79 1ulp n THR 27 Cb 0.46 -0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 67.66 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 -2.07 0.37 0.00 3.42 7.64 -1.26 -1.63 113.62 120.08 1ulp n SER 28 Ca -0.01 -1.87 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1ulp n SER 28 Cb 0.52 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ulp n THR 29 N 7.65 0.00 0.00 0.44 5.66 -1.26 -4.94 114.28 121.82 1ulp n THR 29 Ca 0.35 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.35 1ulp n THR 29 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1ulp n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ulp n GLY 30 N 0.00 0.48 3.26 1.09 0.00 -0.65 -5.10 105.19 104.28 1ulp n GLY 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1ulp n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 31 N -1.25 -0.74 -0.43 4.61 0.00 -1.24 -4.61 121.76 118.09 1ulp s ALA 31 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 1ulp s ALA 31 Cb 0.00 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.53 1ulp s ALA 31 CO 0.00 -0.42 0.29 -1.17 0.00 0.00 0.00 175.76 174.46 1ulp s LEU 32 N -2.07 5.27 -0.36 0.00 0.20 -0.87 -3.47 118.68 117.38 1ulp s LEU 32 Ca -0.05 -1.49 -0.15 0.00 0.69 0.00 0.00 54.13 53.13 1ulp s LEU 32 Cb -0.01 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.72 1ulp s LEU 32 CO -0.03 -0.57 0.36 0.00 -0.29 0.00 0.00 176.35 175.82 1ulp s VAL 34 N 1.98 4.87 -0.43 0.00 -7.23 -0.99 -2.26 120.40 116.34 1ulp s VAL 34 Ca 0.11 0.64 -0.22 0.00 -1.81 0.00 0.00 61.98 60.70 1ulp s VAL 34 Cb -0.17 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 33.15 1ulp s VAL 34 CO 0.12 -0.02 0.74 0.00 -0.31 0.00 0.00 175.10 175.63 1ulp s ALA 35 N -1.76 3.33 -0.15 1.32 0.00 -1.26 -2.94 121.76 120.30 1ulp s ALA 35 Ca 0.46 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 1ulp s ALA 35 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1ulp s ALA 35 CO 0.20 -1.79 0.03 0.08 0.00 0.00 0.00 175.76 174.29 1ulp s VAL 36 N 3.11 4.55 1.11 0.00 1.01 -0.50 -4.04 120.40 125.64 1ulp s VAL 36 Ca 0.28 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 1ulp s VAL 36 Cb -0.13 -3.00 0.25 0.00 0.00 0.00 0.00 36.38 33.50 1ulp s VAL 36 CO 0.20 0.52 1.07 -2.16 0.00 0.00 0.00 175.10 174.73 1ulp s PRO 37 N -0.07 -0.50 0.17 2.72 0.04 -1.26 -2.25 135.00 133.85 1ulp s PRO 37 Ca 0.05 0.44 -0.33 0.00 0.04 0.00 0.00 61.00 61.20 1ulp s PRO 37 Cb -0.12 -1.64 -0.13 0.00 0.04 0.00 0.00 34.50 32.65 1ulp s PRO 37 CO 0.02 -3.34 1.68 0.00 0.04 0.00 0.00 177.00 175.40 1ulp n ALA 38 N -4.59 2.12 -4.32 8.56 0.00 -1.26 -2.08 120.51 118.95 1ulp n ALA 38 Ca 0.06 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.53 1ulp n ALA 38 Cb 0.57 -2.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 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 3.78 -0.41 3.24 0.00 0.00 0.35 -2.72 105.19 109.43 1ulp n GLY 39 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ulp n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ulp n SER 40 N -2.37 0.00 -4.48 1.61 3.41 -0.88 -4.29 113.62 106.62 1ulp n SER 40 Ca 0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.28 1ulp n SER 40 Cb 0.46 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp s ALA 41 N -4.35 3.24 0.00 7.33 0.00 -1.10 -0.92 121.76 125.96 1ulp s ALA 41 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1ulp s ALA 41 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1ulp s ALA 41 CO 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 175.76 173.47 1ulp n GLN 42 N 7.00 -1.36 -0.19 0.00 10.64 -1.26 -4.93 117.38 127.28 1ulp n GLN 42 Ca -0.02 0.00 0.29 0.00 -1.83 0.00 0.00 57.00 55.44 1ulp n GLN 42 Cb 0.46 0.00 0.58 0.00 -0.86 0.00 0.00 30.24 30.43 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 -1.96 -3.45 116.97 114.17 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 -1.68 3.89 3.98 0.10 0.00 -1.26 -5.01 105.19 105.20 1ulp n GLY 44 Ca 0.21 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 1ulp n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 45 N 0.00 2.14 0.00 1.61 1.01 -1.08 -4.70 120.40 119.38 1ulp s VAL 45 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1ulp s VAL 45 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1ulp s VAL 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 46 N -2.99 3.08 3.76 4.51 0.00 -1.13 -0.66 105.19 111.76 1ulp n GLY 46 Ca 0.14 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.76 4.71 0.02 1.61 1.01 0.50 -1.93 120.40 125.56 1ulp s VAL 47 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1ulp s VAL 47 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1ulp s VAL 47 CO 0.00 0.54 -0.11 0.68 0.00 0.00 0.00 175.10 176.21 1ulp s VAL 48 N -1.01 0.83 -0.15 2.92 -7.23 -0.08 -1.15 120.40 114.54 1ulp s VAL 48 Ca 0.16 -0.74 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1ulp s VAL 48 Cb -0.12 -0.75 0.05 0.00 0.56 0.00 0.00 36.38 36.12 1ulp s VAL 48 CO 0.06 0.03 0.05 -0.22 -0.31 0.00 0.00 175.10 174.70 1ulp s LEU 49 N -0.80 0.73 -0.05 1.32 2.96 -1.15 -1.96 118.68 119.73 1ulp s LEU 49 Ca 0.00 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.18 1ulp s LEU 49 Cb -0.06 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 1ulp s LEU 49 CO 0.00 -0.29 0.60 0.21 -1.32 0.00 0.00 176.35 175.55 1ulp s ASN 50 N 1.99 6.91 0.00 3.68 2.47 -1.26 -1.00 114.94 127.72 1ulp s ASN 50 Ca 0.02 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.38 1ulp s ASN 50 Cb -0.15 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 1ulp s ASN 50 CO -0.07 0.01 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 1ulp n GLY 51 N 2.83 -0.14 3.68 1.21 0.00 -0.73 -4.96 105.19 107.08 1ulp n GLY 51 Ca -0.05 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 1.68 -0.64 1.61 1.01 -1.10 -3.87 120.40 119.09 1ulp s VAL 52 Ca 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.03 1ulp s VAL 52 Cb 0.00 -2.67 0.17 0.00 0.00 0.00 0.00 36.38 33.88 1ulp s VAL 52 CO 0.00 0.00 0.46 0.00 0.00 0.00 0.00 175.10 175.56 1ulp s ALA 53 N -2.77 3.29 0.12 5.51 0.00 -1.26 -4.18 121.76 122.47 1ulp s ALA 53 Ca 0.24 -3.54 -0.04 0.00 0.00 0.00 0.00 51.96 48.62 1ulp s ALA 53 Cb 0.07 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 1ulp s ALA 53 CO 0.12 -2.07 0.11 0.42 0.00 0.00 0.00 175.76 174.34 1ulp s ILE 54 N -1.13 0.12 0.00 0.00 -1.09 -1.07 -4.90 121.20 113.13 1ulp s ILE 54 Ca 0.27 -1.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.00 1ulp s ILE 54 Cb -0.03 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1ulp s ILE 54 CO -0.17 -0.56 0.35 1.21 -1.23 0.00 0.00 174.94 174.54 1ulp n GLU 55 N -0.08 0.00 -3.12 2.79 2.13 -1.25 -0.40 120.64 120.72 1ulp n GLU 55 Ca -0.09 -0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.43 1ulp n GLU 55 Cb 0.63 0.38 0.00 0.00 0.27 0.00 0.00 31.44 32.72 1ulp n GLU 55 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1ulp n GLU 56 N 0.00 -0.62 -2.58 5.31 0.28 0.17 -4.77 120.64 118.43 1ulp n GLU 56 Ca -0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 1ulp n GLU 56 Cb 0.37 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.25 1ulp n GLU 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ulp n GLY 57 N 0.00 5.04 3.94 -1.84 0.00 -1.22 -2.43 105.19 108.68 1ulp n GLY 57 Ca 0.00 -2.34 -0.21 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.21 2.48 0.43 2.61 2.01 -0.89 -4.83 115.64 116.24 1ulp s THR 58 Ca 0.37 -1.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1ulp s THR 58 Cb 0.09 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1ulp s THR 58 CO 0.03 0.00 0.70 -0.89 -0.69 0.00 0.00 174.62 173.77 1ulp s THR 59 N -2.53 4.97 0.22 -0.82 2.01 -1.26 0.16 115.64 118.39 1ulp s THR 59 Ca 0.50 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.41 1ulp s THR 59 Cb -0.05 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1ulp s THR 59 CO 0.30 -0.72 0.43 -1.22 -0.69 0.00 0.00 174.62 172.72 1ulp n TYR 60 N -2.01 -1.73 -3.67 4.92 4.01 0.35 -3.46 117.16 115.56 1ulp n TYR 60 Ca -0.01 -1.05 -0.13 0.00 -0.16 0.00 0.00 57.90 56.55 1ulp n TYR 60 Cb 0.55 0.51 -0.13 0.00 -0.31 0.00 0.00 39.34 39.97 1ulp n TYR 60 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ulp s THR 61 N -2.51 -0.38 -0.25 -0.72 2.01 -1.13 -2.06 115.64 110.61 1ulp s THR 61 Ca 0.09 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.13 1ulp s THR 61 Cb -0.03 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1ulp s THR 61 CO 0.07 0.10 0.63 -0.22 -0.69 0.00 0.00 174.62 174.51 1ulp s LEU 62 N 2.26 4.07 -0.03 4.42 2.96 -0.82 -4.21 118.68 127.33 1ulp s LEU 62 Ca -0.01 0.73 0.06 0.00 -0.22 0.00 0.00 54.13 54.68 1ulp s LEU 62 Cb -0.12 -2.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 1ulp s LEU 62 CO -0.09 -0.36 -0.20 -0.60 -1.32 0.00 0.00 176.35 173.78 1ulp s ARG 63 N 2.43 1.84 -0.29 1.98 3.52 -1.14 -2.25 118.95 125.05 1ulp s ARG 63 Ca 0.27 -0.71 -0.26 0.00 -0.13 0.00 0.00 55.73 54.89 1ulp s ARG 63 Cb -0.16 -1.67 0.19 0.00 -1.56 0.00 0.00 34.95 31.76 1ulp s ARG 63 CO 0.09 0.36 1.41 1.52 -0.81 0.00 0.00 175.30 177.87 1ulp s TYR 64 N -0.24 -0.06 -0.39 5.12 -0.85 -0.44 -2.51 117.35 117.98 1ulp s TYR 64 Ca 0.02 0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.73 1ulp s TYR 64 Cb -0.10 0.49 0.11 0.00 0.38 0.00 0.00 41.96 42.83 1ulp s TYR 64 CO 0.01 -0.03 0.11 0.99 -1.52 0.00 0.00 175.55 175.11 1ulp s THR 65 N -0.28 2.47 0.05 -3.49 2.01 -1.26 0.13 115.64 115.27 1ulp s THR 65 Ca 0.08 -2.53 -0.01 0.00 0.31 0.00 0.00 61.69 59.54 1ulp s THR 65 Cb -0.04 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1ulp s THR 65 CO -0.13 -0.65 0.22 0.00 -0.69 0.00 0.00 174.62 173.36 1ulp s ALA 66 N 0.67 3.98 -0.28 7.40 0.00 -0.93 -2.58 121.76 130.02 1ulp s ALA 66 Ca 0.12 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 1ulp s ALA 66 Cb -0.21 -1.87 0.14 0.00 0.00 0.00 0.00 23.12 21.19 1ulp s ALA 66 CO -0.06 0.80 0.35 0.99 0.00 0.00 0.00 175.76 177.84 1ulp s THR 67 N -1.48 -0.53 -0.05 0.00 2.01 0.53 -2.62 115.64 113.49 1ulp s THR 67 Ca 0.34 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.83 1ulp s THR 67 Cb -0.13 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1ulp s THR 67 CO 0.26 -0.32 0.55 0.00 -0.69 0.00 0.00 174.62 174.42 1ulp s ALA 68 N 2.47 3.48 0.59 7.40 0.00 -1.22 -2.41 121.76 132.07 1ulp s ALA 68 Ca 0.10 -0.06 0.32 0.00 0.00 0.00 0.00 51.96 52.32 1ulp s ALA 68 Cb -0.14 -2.70 1.24 0.00 0.00 0.00 0.00 23.12 21.53 1ulp s ALA 68 CO -0.28 0.10 1.54 0.66 0.00 0.00 0.00 175.76 177.79 1ulp h SER 69 N 6.06 0.00 -2.24 0.00 4.64 -1.78 -3.11 113.55 117.12 1ulp h SER 69 Ca -0.44 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.33 1ulp h SER 69 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 1ulp h SER 69 CO 0.72 0.00 -0.62 0.28 -0.87 0.00 0.00 176.83 176.34 1ulp s THR 70 N -4.59 3.70 -1.29 2.95 -1.32 -1.26 -3.83 115.64 109.99 1ulp s THR 70 Ca -0.04 -1.77 -0.18 0.00 -1.21 0.00 0.00 61.69 58.49 1ulp s THR 70 Cb 0.17 -2.98 0.05 0.00 -1.51 0.00 0.00 72.50 68.23 1ulp s THR 70 CO 0.58 -0.36 1.78 0.47 -2.21 0.00 0.00 174.62 174.89 1ulp n ASP 71 N -0.92 4.66 -4.79 8.08 9.92 -1.26 -2.83 116.55 129.41 1ulp n ASP 71 Ca -0.07 -2.89 -0.36 0.00 -0.53 0.00 0.00 54.79 50.94 1ulp n ASP 71 Cb 0.58 -1.74 -0.07 0.00 -0.64 0.00 0.00 41.12 39.25 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 4.99 5.03 -0.58 2.53 0.11 -1.15 -4.85 120.40 126.47 1ulp s VAL 72 Ca 0.55 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.68 1ulp s VAL 72 Cb 0.04 -3.17 0.14 0.00 -1.53 0.00 0.00 36.38 31.86 1ulp s VAL 72 CO 0.08 0.61 0.34 -0.89 -3.33 0.00 0.00 175.10 171.91 1ulp s THR 73 N -0.90 2.72 0.00 5.04 2.01 -1.26 -0.71 115.64 122.53 1ulp s THR 73 Ca 0.14 -3.64 0.00 0.00 0.31 0.00 0.00 61.69 58.49 1ulp s THR 73 Cb -0.12 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1ulp s THR 73 CO 0.03 -0.87 0.00 1.33 -0.69 0.00 0.00 174.62 174.42 1ulp n VAL 74 N 2.73 0.00 -4.17 3.82 0.24 -1.06 -4.89 118.33 115.01 1ulp n VAL 74 Ca 0.10 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.23 1ulp n VAL 74 Cb 0.33 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.58 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 2.26 0.72 0.04 7.34 0.52 -0.98 -3.41 118.95 125.44 1ulp s ARG 75 Ca 0.00 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 1ulp s ARG 75 Cb 0.00 -0.65 0.01 0.00 0.52 0.00 0.00 34.95 34.83 1ulp s ARG 75 CO 0.00 0.15 0.25 0.00 0.02 0.00 0.00 175.30 175.71 1ulp s ALA 76 N -1.17 -0.52 0.00 2.13 0.00 -0.87 -0.91 121.76 120.42 1ulp s ALA 76 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1ulp s ALA 76 Cb -0.09 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1ulp s ALA 76 CO 0.01 -0.38 0.00 1.47 0.00 0.00 0.00 175.76 176.86 1ulp n LEU 77 N 0.65 0.00 -3.92 0.00 -0.00 -0.52 -3.01 117.00 110.19 1ulp n LEU 77 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.73 1ulp n LEU 77 Cb 0.59 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1ulp n LEU 77 CO 0.22 0.00 0.05 -0.69 -0.00 0.00 0.00 177.39 176.97 1ulp s VAL 78 N -3.36 0.05 0.00 1.47 1.01 -1.26 -1.79 120.40 116.53 1ulp s VAL 78 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1ulp s VAL 78 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1ulp s VAL 78 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1ulp n GLY 79 N -0.25 1.12 3.34 4.51 0.00 -1.15 -2.94 105.19 109.82 1ulp n GLY 79 Ca -0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1ulp n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ulp s GLN 80 N -0.09 1.88 -0.73 1.61 -2.07 -0.59 -1.97 119.66 117.70 1ulp s GLN 80 Ca 0.00 -1.07 -0.17 0.00 -1.82 0.00 0.00 55.36 52.31 1ulp s GLN 80 Cb 0.00 -2.00 0.15 0.00 -1.09 0.00 0.00 33.01 30.07 1ulp s GLN 80 CO 0.00 0.52 0.78 -0.80 -1.32 0.00 0.00 175.29 174.47 1ulp s ASN 81 N -1.10 6.47 0.00 12.60 -0.87 -0.87 -4.38 114.94 126.79 1ulp s ASN 81 Ca 0.11 -2.03 0.00 0.00 -1.57 0.00 0.00 52.86 49.38 1ulp s ASN 81 Cb -0.10 -2.28 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 1ulp s ASN 81 CO 0.01 -0.89 0.00 0.61 -2.57 0.00 0.00 177.10 174.27 1ulp n GLY 82 N 4.87 4.56 3.72 0.66 0.00 -1.26 -2.71 105.19 115.03 1ulp n GLY 82 Ca 0.04 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1ulp n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulp s ALA 83 N -1.94 2.04 -2.00 4.61 0.00 -1.26 0.26 121.76 123.47 1ulp s ALA 83 Ca 0.00 0.82 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1ulp s ALA 83 Cb 0.00 -3.46 0.35 0.00 0.00 0.00 0.00 23.12 20.01 1ulp s ALA 83 CO 0.00 -1.99 1.11 -0.35 0.00 0.00 0.00 175.76 174.52 1ulp n PRO 84 N -2.95 0.87 -0.75 0.00 -0.04 -1.26 -4.45 135.00 126.42 1ulp n PRO 84 Ca 0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1ulp n PRO 84 Cb 0.51 -1.10 -0.04 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 -0.60 -1.97 0.00 0.54 4.01 0.14 -5.09 117.16 114.19 1ulp n TYR 85 Ca 0.04 1.06 0.00 0.00 -0.16 0.00 0.00 57.90 58.84 1ulp n TYR 85 Cb 0.02 -1.79 0.00 0.00 -0.31 0.00 0.00 39.34 37.26 1ulp n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulp n GLY 86 N -3.35 1.18 3.06 2.72 0.00 -1.26 -4.93 105.19 102.62 1ulp n GLY 86 Ca -0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 0.08 0.00 2.61 -4.23 -1.26 -1.55 115.64 109.29 1ulp s THR 87 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1ulp s THR 87 Cb 0.00 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.48 1ulp s THR 87 CO 0.00 -0.38 0.00 1.33 -0.54 0.00 0.00 174.62 175.03 1ulp n VAL 88 N 1.62 0.00 -4.57 2.29 0.24 -1.15 -4.78 118.33 111.98 1ulp n VAL 88 Ca -0.22 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.34 61.68 1ulp n VAL 88 Cb 0.56 0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 33.35 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 -2.54 3.04 -0.40 1.34 1.02 -1.25 -4.81 118.68 115.08 1ulp s LEU 89 Ca 0.00 -0.17 0.05 0.00 0.02 0.00 0.00 54.13 54.03 1ulp s LEU 89 Cb 0.00 -1.72 0.16 0.00 0.02 0.00 0.00 46.19 44.65 1ulp s LEU 89 CO 0.00 0.30 0.46 -1.81 0.02 0.00 0.00 176.35 175.32 1ulp s ASP 90 N -1.22 0.37 0.34 2.29 1.01 -1.26 -3.99 116.67 114.21 1ulp s ASP 90 Ca 0.15 -1.53 -0.09 0.00 0.71 0.00 0.00 52.55 51.78 1ulp s ASP 90 Cb -0.11 0.91 0.02 0.00 1.01 0.00 0.00 42.92 44.75 1ulp s ASP 90 CO 0.05 -0.21 0.60 0.42 0.21 0.00 0.00 175.17 176.23 1ulp s THR 91 N 1.37 0.00 -0.18 -1.27 -4.23 -1.17 -5.08 115.64 105.08 1ulp s THR 91 Ca 0.19 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1ulp s THR 91 Cb -0.10 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.13 1ulp s THR 91 CO -0.05 0.00 -0.20 -0.44 -0.54 0.00 0.00 174.62 173.40 1ulp s SER 92 N -3.13 3.15 0.02 3.99 0.01 -1.26 -2.06 113.70 114.41 1ulp s SER 92 Ca 0.23 -0.65 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 1ulp s SER 92 Cb -0.02 -1.48 -0.05 0.00 0.21 0.00 0.00 66.02 64.67 1ulp s SER 92 CO 0.15 0.00 1.23 -2.16 0.41 0.00 0.00 173.24 172.87 1ulp s PRO 93 N 1.29 4.39 0.14 12.44 0.04 -1.22 -4.90 135.00 147.17 1ulp s PRO 93 Ca 0.05 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 1ulp s PRO 93 Cb -0.13 -3.44 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 1ulp s PRO 93 CO -0.13 -0.36 0.39 0.00 0.04 0.00 0.00 177.00 176.94 1ulp s ALA 94 N 1.60 3.77 0.27 8.56 0.00 -1.26 -2.55 121.76 132.14 1ulp s ALA 94 Ca 0.59 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 1ulp s ALA 94 Cb -0.28 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1ulp s ALA 94 CO 0.27 0.65 0.33 -0.51 0.00 0.00 0.00 175.76 176.50 1ulp s LEU 95 N -2.62 0.98 0.00 0.00 1.43 0.11 -4.87 118.68 113.70 1ulp s LEU 95 Ca 0.41 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1ulp s LEU 95 Cb -0.12 1.05 0.00 0.00 0.03 0.00 0.00 46.19 47.15 1ulp s LEU 95 CO 0.24 -1.07 0.00 1.07 0.23 0.00 0.00 176.35 176.82 1ulp n THR 96 N -0.43 0.00 0.17 5.49 5.66 -1.13 -2.95 114.28 121.09 1ulp n THR 96 Ca 0.02 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.10 1ulp n THR 96 Cb 0.63 0.00 0.46 0.00 -1.55 0.00 0.00 70.33 69.87 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 1.63 0.45 -4.90 1.09 2.88 -1.18 -3.43 113.62 110.16 1ulp n SER 97 Ca 0.00 0.70 -0.32 0.00 -1.33 0.00 0.00 58.87 57.92 1ulp n SER 97 Cb 0.00 -0.76 -0.05 0.00 -0.75 0.00 0.00 64.21 62.65 1ulp n SER 97 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ulp s GLU 98 N -3.41 3.61 0.13 -1.46 2.12 -1.26 -5.00 118.70 113.43 1ulp s GLU 98 Ca -0.01 -0.09 -0.31 0.00 0.36 0.00 0.00 54.97 54.91 1ulp s GLU 98 Cb 0.05 -2.87 -0.08 0.00 0.26 0.00 0.00 34.13 31.49 1ulp s GLU 98 CO 0.18 0.48 1.42 -1.25 -0.54 0.00 0.00 175.26 175.56 1ulp s PRO 99 N -2.58 4.30 -0.49 4.30 0.04 -1.26 -4.77 135.00 134.53 1ulp s PRO 99 Ca 0.40 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.61 1ulp s PRO 99 Cb -0.12 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.32 1ulp s PRO 99 CO 0.24 -0.47 0.22 0.50 0.04 0.00 0.00 177.00 177.54 1ulp s ARG 100 N 1.09 1.90 0.67 4.56 3.52 -1.08 -5.04 118.95 124.57 1ulp s ARG 100 Ca 0.66 -2.48 -0.13 0.00 -0.13 0.00 0.00 55.73 53.64 1ulp s ARG 100 Cb -0.38 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1ulp s ARG 100 CO 0.31 -1.08 1.07 -0.65 -0.81 0.00 0.00 175.30 174.13 1ulp s GLN 101 N -0.07 2.94 -0.04 5.12 -0.21 -1.26 -2.20 119.66 123.95 1ulp s GLN 101 Ca 0.16 1.10 0.02 0.00 0.02 0.00 0.00 55.36 56.66 1ulp s GLN 101 Cb -0.25 -1.99 0.01 0.00 1.00 0.00 0.00 33.01 31.79 1ulp s GLN 101 CO -0.02 -1.11 -0.10 0.08 -2.12 0.00 0.00 175.29 172.03 1ulp s VAL 102 N -2.78 0.87 -0.40 1.09 1.01 0.34 -4.88 120.40 115.65 1ulp s VAL 102 Ca 0.61 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1ulp s VAL 102 Cb -0.16 -0.80 0.17 0.00 0.00 0.00 0.00 36.38 35.59 1ulp s VAL 102 CO 0.48 0.28 0.46 0.42 0.00 0.00 0.00 175.10 176.74 1ulp s THR 103 N 0.45 -0.44 0.29 3.92 -4.23 -1.25 -1.99 115.64 112.39 1ulp s THR 103 Ca -0.08 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1ulp s THR 103 Cb -0.12 -0.54 -0.01 0.00 1.34 0.00 0.00 72.50 73.17 1ulp s THR 103 CO 0.01 -0.50 0.05 -0.62 -0.54 0.00 0.00 174.62 173.03 1ulp n GLU 104 N 3.94 0.94 -4.26 3.99 1.02 -0.95 -4.99 120.64 120.33 1ulp n GLU 104 Ca 0.14 -2.29 -0.14 0.00 -0.02 0.00 0.00 57.16 54.85 1ulp n GLU 104 Cb 0.49 0.95 -0.10 0.00 -0.02 0.00 0.00 31.44 32.75 1ulp n GLU 104 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1ulp s THR 105 N -2.37 0.52 -0.22 2.62 -1.32 -1.26 -1.95 115.64 111.66 1ulp s THR 105 Ca 0.07 -1.98 -0.31 0.00 -1.21 0.00 0.00 61.69 58.26 1ulp s THR 105 Cb 0.00 -2.33 0.16 0.00 -1.51 0.00 0.00 72.50 68.82 1ulp s THR 105 CO 0.05 -0.27 1.20 0.72 -2.21 0.00 0.00 174.62 174.12 1ulp s PHE 106 N -3.77 -0.16 -0.79 9.09 -0.71 -0.87 -4.88 117.98 115.88 1ulp s PHE 106 Ca 0.30 0.24 -0.20 0.00 -1.04 0.00 0.00 56.93 56.23 1ulp s PHE 106 Cb 0.07 0.49 0.11 0.00 -1.21 0.00 0.00 43.02 42.47 1ulp s PHE 106 CO 0.08 -0.18 1.01 0.99 -1.34 0.00 0.00 175.22 175.78 1ulp s THR 107 N -1.45 4.59 -0.87 -4.49 2.01 -1.26 -0.49 115.64 113.68 1ulp s THR 107 Ca 0.06 -1.06 -0.18 0.00 0.31 0.00 0.00 61.69 60.82 1ulp s THR 107 Cb -0.01 -4.71 -0.23 0.00 0.01 0.00 0.00 72.50 67.57 1ulp s THR 107 CO -0.04 -1.44 2.26 0.00 -0.69 0.00 0.00 174.62 174.71 1ulp n ALA 108 N 6.93 0.69 -1.40 7.40 0.00 0.42 -4.72 120.51 129.83 1ulp n ALA 108 Ca 0.09 -1.16 -0.26 0.00 0.00 0.00 0.00 53.44 52.11 1ulp n ALA 108 Cb 0.47 -2.84 -0.08 0.00 0.00 0.00 0.00 19.45 17.00 1ulp n ALA 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ulp n SER 109 N 12.68 6.71 -0.33 0.00 3.41 -1.26 -2.10 113.62 132.72 1ulp n SER 109 Ca 0.55 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 1ulp n SER 109 Cb 0.30 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 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 1.94 0.00 -3.71 7.33 0.00 -1.02 -4.85 120.51 120.21 1ulp n ALA 110 Ca 0.54 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.71 1ulp n ALA 110 Cb 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.85 1ulp n ALA 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ulp s THR 111 N -2.82 0.36 -0.88 0.00 2.01 -1.26 0.43 115.64 113.48 1ulp s THR 111 Ca 0.00 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1ulp s THR 111 Cb 0.00 -0.89 0.28 0.00 0.01 0.00 0.00 72.50 71.90 1ulp s THR 111 CO 0.00 -0.20 1.13 -1.22 -0.69 0.00 0.00 174.62 173.64 1ulp n TYR 112 N 5.11 2.98 -2.23 4.92 4.01 0.46 -4.52 117.16 127.90 1ulp n TYR 112 Ca -0.08 -3.35 -0.43 0.00 -0.16 0.00 0.00 57.90 53.89 1ulp n TYR 112 Cb 0.48 -0.96 -0.02 0.00 -0.31 0.00 0.00 39.34 38.52 1ulp n TYR 112 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ulp s PRO 113 N -2.57 4.22 0.00 -0.72 0.04 -1.16 -2.60 135.00 132.21 1ulp s PRO 113 Ca 0.35 1.91 0.09 0.00 0.04 0.00 0.00 61.00 63.39 1ulp s PRO 113 Cb 0.08 -3.84 0.44 0.00 0.04 0.00 0.00 34.50 31.22 1ulp s PRO 113 CO 0.04 -0.75 1.25 0.00 0.04 0.00 0.00 177.00 177.58 1ulp n ALA 114 N 6.73 1.51 -3.56 8.56 0.00 -1.26 -3.96 120.51 128.54 1ulp n ALA 114 Ca 0.15 -0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 1ulp n ALA 114 Cb 0.44 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.81 4.62 0.55 0.00 2.01 -1.26 -4.91 115.64 113.84 1ulp s THR 115 Ca 0.07 -3.13 -0.18 0.00 0.31 0.00 0.00 61.69 58.75 1ulp s THR 115 Cb 0.06 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 1ulp s THR 115 CO 0.16 -1.01 1.08 -2.16 -0.69 0.00 0.00 174.62 172.00 1ulp s PRO 116 N -0.48 3.44 0.00 4.92 0.04 -1.26 -4.89 135.00 136.77 1ulp s PRO 116 Ca 0.21 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1ulp s PRO 116 Cb -0.13 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1ulp s PRO 116 CO -0.08 -0.74 0.00 0.00 0.04 0.00 0.00 177.00 176.23 1ulp n ALA 117 N -1.48 0.00 0.16 8.56 0.00 -1.02 -4.89 120.51 121.84 1ulp n ALA 117 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1ulp n ALA 117 Cb 0.52 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.00 1.18 -2.01 0.00 0.00 -1.26 -3.13 120.51 112.29 1ulp n ALA 118 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1ulp n ALA 118 Cb 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.73 -0.10 -4.15 0.00 5.68 -1.26 -5.06 116.55 109.93 1ulp n ASP 119 Ca 0.00 -1.29 -0.36 0.00 -0.50 0.00 0.00 54.79 52.64 1ulp n ASP 119 Cb 0.06 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.92 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 -0.31 5.22 0.18 -1.12 1.01 -1.18 -4.95 116.67 115.51 1ulp s ASP 120 Ca 0.01 -1.82 -0.30 0.00 0.71 0.00 0.00 52.55 51.14 1ulp s ASP 120 Cb 0.01 -1.82 -0.08 0.00 1.01 0.00 0.00 42.92 42.04 1ulp s ASP 120 CO -0.00 -0.48 1.18 -2.16 0.21 0.00 0.00 175.17 173.91 1ulp s PRO 121 N 1.19 4.51 0.00 8.23 0.04 -1.26 -2.42 135.00 145.28 1ulp s PRO 121 Ca 0.05 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1ulp s PRO 121 Cb -0.22 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1ulp s PRO 121 CO -0.03 -0.06 0.00 -0.85 0.04 0.00 0.00 177.00 176.10 1ulp n GLU 122 N 2.52 3.40 -3.75 4.56 0.28 -1.10 -3.84 120.64 122.72 1ulp n GLU 122 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.91 1ulp n GLU 122 Cb 0.45 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.23 1ulp n GLU 122 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ulp s GLY 123 N 0.00 -0.19 0.00 -1.84 0.00 -1.26 -2.04 107.32 101.99 1ulp s GLY 123 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1ulp s GLY 123 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.04 1ulp n GLN 124 N 1.70 0.00 -4.91 2.90 10.64 -0.83 -1.77 117.38 125.10 1ulp n GLN 124 Ca -0.19 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.67 1ulp n GLN 124 Cb 0.56 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.80 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ulp s ILE 125 N -2.16 2.28 -0.22 -0.39 1.01 -0.17 -2.95 121.20 118.61 1ulp s ILE 125 Ca 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 60.65 59.35 1ulp s ILE 125 Cb 0.00 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1ulp s ILE 125 CO 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 174.94 175.22 1ulp s ALA 126 N -0.80 2.56 -0.35 9.38 0.00 -0.74 -2.95 121.76 128.86 1ulp s ALA 126 Ca 0.12 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1ulp s ALA 126 Cb -0.10 -1.48 0.09 0.00 0.00 0.00 0.00 23.12 21.63 1ulp s ALA 126 CO 0.02 -0.60 0.07 -0.06 0.00 0.00 0.00 175.76 175.20 1ulp s PHE 127 N 1.32 3.57 -0.49 0.00 0.40 -0.30 -1.43 117.98 121.04 1ulp s PHE 127 Ca 0.02 -2.56 -0.23 0.00 -0.60 0.00 0.00 56.93 53.56 1ulp s PHE 127 Cb -0.15 -2.78 0.04 0.00 0.51 0.00 0.00 43.02 40.64 1ulp s PHE 127 CO -0.08 -0.93 0.80 -0.65 0.70 0.00 0.00 175.22 175.07 1ulp s GLN 128 N 1.06 3.32 -0.61 0.44 -0.21 -0.09 -0.37 119.66 123.20 1ulp s GLN 128 Ca 0.05 -0.32 0.01 0.00 0.02 0.00 0.00 55.36 55.12 1ulp s GLN 128 Cb -0.20 -4.01 0.42 0.00 1.00 0.00 0.00 33.01 30.22 1ulp s GLN 128 CO -0.05 -1.25 1.76 1.28 -2.12 0.00 0.00 175.29 174.90 1ulp n LEU 129 N 6.84 6.77 -4.59 2.90 4.77 0.17 -2.32 117.00 131.54 1ulp n LEU 129 Ca 0.00 -4.62 -0.41 0.00 -0.03 0.00 0.00 56.01 50.95 1ulp n LEU 129 Cb 0.47 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.68 1ulp n LEU 129 CO 0.59 1.76 0.32 -0.83 -1.33 0.00 0.00 177.39 177.90 1ulp s GLY 130 N -2.21 1.79 -0.03 -0.72 0.00 -1.12 -2.63 107.32 102.41 1ulp s GLY 130 Ca 0.57 -0.78 -0.00 0.00 0.00 0.00 0.00 44.72 44.51 1ulp s GLY 130 CO -0.12 1.38 0.00 0.61 0.00 0.00 0.00 173.10 174.97 1ulp n GLY 131 N 4.57 -0.42 2.00 0.20 0.00 -0.10 -4.87 105.19 106.56 1ulp n GLY 131 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.24 -1.52 -2.28 1.61 3.72 -1.26 -4.99 117.46 113.97 1ulp n PHE 132 Ca -0.00 0.27 -0.18 0.00 -0.05 0.00 0.00 57.45 57.48 1ulp n PHE 132 Cb 0.45 0.56 0.11 0.00 -0.94 0.00 0.00 39.48 39.65 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp n SER 133 N -3.07 0.75 0.00 4.37 2.88 -1.26 -4.60 113.62 112.69 1ulp n SER 133 Ca 0.00 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 1ulp n SER 133 Cb 0.00 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 -3.13 0.01 -2.02 -1.46 0.00 -1.26 -3.93 120.51 108.72 1ulp n ALA 134 Ca -0.13 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 1ulp n ALA 134 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.43 6.62 0.28 0.00 1.01 -1.26 0.13 116.67 121.02 1ulp s ASP 135 Ca 0.00 1.36 -0.26 0.00 0.71 0.00 0.00 52.55 54.37 1ulp s ASP 135 Cb 0.00 -2.42 -0.16 0.00 1.01 0.00 0.00 42.92 41.35 1ulp s ASP 135 CO 0.00 -0.45 0.42 0.00 0.21 0.00 0.00 175.17 175.36 1ulp n ALA 136 N -1.25 -2.68 -3.00 5.23 0.00 -1.26 -4.15 120.51 113.40 1ulp n ALA 136 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1ulp n ALA 136 Cb 0.54 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.33 0.00 -3.82 0.00 2.14 -0.95 -4.88 117.44 109.58 1ulp n TRP 137 Ca 0.15 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.64 1ulp n TRP 137 Cb 0.31 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.82 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 -0.10 -1.67 2.01 -1.26 -1.41 115.64 110.89 1ulp s THR 138 Ca 0.00 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.98 1ulp s THR 138 Cb 0.00 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 69.93 1ulp s THR 138 CO 0.00 0.00 0.03 -0.76 -0.69 0.00 0.00 174.62 173.20 1ulp s LEU 139 N -3.03 0.58 -0.36 4.42 1.02 -1.15 -3.69 118.68 116.47 1ulp s LEU 139 Ca 0.14 -0.23 -0.10 0.00 0.02 0.00 0.00 54.13 53.96 1ulp s LEU 139 Cb -0.05 -0.39 0.02 0.00 0.02 0.00 0.00 46.19 45.79 1ulp s LEU 139 CO 0.10 -0.24 0.18 0.00 0.02 0.00 0.00 176.35 176.41 1ulp n LEU 141 N 4.96 0.00 0.00 0.00 4.77 -1.11 -0.35 117.00 125.27 1ulp n LEU 141 Ca -0.12 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 1ulp n LEU 141 Cb 0.46 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ulp n LEU 141 CO 0.35 -0.70 0.00 -0.90 -1.33 0.00 0.00 177.39 174.81 1ulp n ASP 142 N -2.29 0.00 0.00 -1.43 5.68 -1.07 -2.04 116.55 115.40 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 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1ulp n ASP 142 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ulp n ASP 143 N 0.00 0.00 -4.63 -1.12 9.92 -1.08 -3.85 116.55 115.79 1ulp n ASP 143 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1ulp n ASP 143 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ulp s VAL 144 N 0.00 4.97 -0.09 2.53 1.01 -0.65 -1.32 120.40 126.84 1ulp s VAL 144 Ca 0.00 1.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.90 1ulp s VAL 144 Cb 0.00 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.49 1ulp s VAL 144 CO 0.00 0.02 0.60 0.00 0.00 0.00 0.00 175.10 175.72 1ulp s ALA 145 N 2.54 -1.54 -0.01 5.51 0.00 -1.04 -4.04 121.76 123.17 1ulp s ALA 145 Ca 0.27 1.27 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 1ulp s ALA 145 Cb -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1ulp s ALA 145 CO 0.08 -0.33 0.12 -1.17 0.00 0.00 0.00 175.76 174.47 1ulp s LEU 146 N -0.81 1.58 -0.27 0.00 2.96 -1.26 -2.87 118.68 118.01 1ulp s LEU 146 Ca -0.09 -0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 53.44 1ulp s LEU 146 Cb -0.02 0.57 0.18 0.00 0.50 0.00 0.00 46.19 47.41 1ulp s LEU 146 CO 0.07 -0.26 1.32 -0.62 -1.32 0.00 0.00 176.35 175.53 1ulp s ASP 147 N -0.93 -0.07 0.62 3.68 -1.08 -1.26 -4.89 116.67 112.73 1ulp s ASP 147 Ca -0.10 0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 51.98 1ulp s ASP 147 Cb -0.06 0.06 0.09 0.00 -1.46 0.00 0.00 42.92 41.55 1ulp s ASP 147 CO 0.01 -0.07 0.63 -1.54 0.52 0.00 0.00 175.17 174.71 1ulp n SER 148 N 0.42 0.81 -4.30 -0.34 3.41 -1.23 -2.83 113.62 109.56 1ulp n SER 148 Ca -0.00 -1.69 -0.32 0.00 -0.26 0.00 0.00 58.87 56.60 1ulp n SER 148 Cb 0.58 -0.41 0.18 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.17 -1.69 -1.47 4.33 2.13 -1.26 -4.81 120.64 115.70 1ulp n GLU 149 Ca 0.10 -0.47 -0.41 0.00 0.66 0.00 0.00 57.16 57.04 1ulp n GLU 149 Cb 0.37 -1.75 0.01 0.00 0.27 0.00 0.00 31.44 30.34 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 -4.48 1.92 -2.70 6.31 3.14 -1.26 -4.93 118.33 116.33 1ulp n VAL 150 Ca 0.01 -0.50 -0.06 0.00 -2.96 0.00 0.00 64.34 60.83 1ulp n VAL 150 Cb 0.61 -0.64 0.10 0.00 -1.06 0.00 0.00 33.84 32.86 1ulp n VAL 150 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1ulp n GLU 151 N 0.44 0.56 -0.53 1.45 2.13 -1.26 -5.22 120.64 118.21 1ulp n GLU 151 Ca 0.11 -1.29 0.00 0.00 0.66 0.00 0.00 57.16 56.64 1ulp n GLU 151 Cb 0.41 -0.61 0.00 0.00 0.27 0.00 0.00 31.44 31.51 1ulp n GLU 151 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61