#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 -0.15 -0.01 0.00 0.15 -1.19 -3.47 113.70 109.02 1ulp s SER 2 Ca 0.00 0.09 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1ulp s SER 2 Cb 0.00 1.13 0.04 0.00 -1.71 0.00 0.00 66.02 65.48 1ulp s SER 2 CO 0.00 -0.03 0.58 -0.81 1.20 0.00 0.00 173.24 174.18 1ulp n PRO 3 N 5.47 1.19 0.00 5.44 -0.04 -1.26 -3.80 135.00 141.99 1ulp n PRO 3 Ca -0.08 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1ulp n PRO 3 Cb 0.55 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -4.77 119.36 108.51 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 0.29 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 1.33 2.86 3.58 3.28 0.00 -1.25 -4.86 105.19 110.13 1ulp n GLY 5 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1ulp n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ulp s GLU 6 N 0.00 3.02 0.00 1.61 2.02 -1.26 -4.08 118.70 120.01 1ulp s GLU 6 Ca 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1ulp s GLU 6 Cb 0.00 -5.32 0.00 0.00 0.10 0.00 0.00 34.13 28.91 1ulp s GLU 6 CO 0.00 -3.28 0.00 0.41 0.02 0.00 0.00 175.26 172.41 1ulp n GLY 7 N 5.88 0.35 3.94 -1.39 0.00 -1.19 -5.02 105.19 107.76 1ulp n GLY 7 Ca 0.45 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 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 2.00 0.24 2.61 -4.23 -1.24 0.24 115.64 115.25 1ulp s THR 8 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 1ulp s THR 8 Cb 0.00 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1ulp s THR 8 CO 0.00 0.00 1.64 -0.26 -0.54 0.00 0.00 174.62 175.46 1ulp h PHE 9 N -1.67 0.67 -6.83 3.99 0.04 -1.74 -3.43 116.94 107.97 1ulp h PHE 9 Ca -0.44 -0.17 -0.57 0.00 2.80 0.00 0.00 57.97 59.59 1ulp h PHE 9 Cb 1.22 -0.15 -0.31 0.00 2.20 0.00 0.00 35.95 38.91 1ulp h PHE 9 CO -1.30 0.83 -0.84 -3.47 -0.60 0.00 0.00 178.31 172.94 1ulp n ASP 10 N -4.07 -0.96 0.00 2.17 2.03 -1.26 -4.62 116.55 109.84 1ulp n ASP 10 Ca -0.01 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.16 1ulp n ASP 10 Cb 0.47 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1ulp n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ulp n ASP 11 N -2.27 0.00 -0.17 1.67 2.03 -1.26 -5.00 116.55 111.55 1ulp n ASP 11 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ulp n ASP 11 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.07 3.58 0.27 0.00 -1.26 -3.41 105.19 104.30 1ulp n GLY 12 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 3.15 0.02 1.61 0.04 -1.26 -4.83 135.00 133.74 1ulp s PRO 13 Ca 0.00 -1.43 -0.05 0.00 0.04 0.00 0.00 61.00 59.57 1ulp s PRO 13 Cb 0.00 -5.35 -0.01 0.00 0.04 0.00 0.00 34.50 29.18 1ulp s PRO 13 CO 0.00 -3.16 0.67 0.39 0.04 0.00 0.00 177.00 174.94 1ulp n GLU 14 N 8.41 -0.06 -0.01 4.56 -0.58 -1.22 -3.93 120.64 127.80 1ulp n GLU 14 Ca 0.45 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.86 1ulp n GLU 14 Cb 0.47 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 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 -1.04 -1.79 3.56 0.62 0.00 -1.26 -5.02 105.19 100.27 1ulp n GLY 15 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 2.42 0.24 1.61 0.52 -1.25 -4.33 118.94 118.14 1ulp s TRP 16 Ca 0.00 -0.63 -0.20 0.00 0.02 0.00 0.00 56.10 55.29 1ulp s TRP 16 Cb 0.00 -4.58 -0.08 0.00 -1.15 0.00 0.00 33.47 27.66 1ulp s TRP 16 CO 0.00 -1.88 0.75 0.14 0.02 0.00 0.00 176.95 175.97 1ulp s VAL 17 N 5.90 4.54 -0.07 4.03 -7.23 -0.99 -4.91 120.40 121.67 1ulp s VAL 17 Ca 0.51 1.31 0.02 0.00 -1.81 0.00 0.00 61.98 62.01 1ulp s VAL 17 Cb -0.01 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 33.09 1ulp s VAL 17 CO -0.06 0.17 -0.12 0.00 -0.31 0.00 0.00 175.10 174.78 1ulp s ALA 18 N -1.56 1.29 0.03 1.32 0.00 -1.26 -0.62 121.76 120.95 1ulp s ALA 18 Ca 0.44 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1ulp s ALA 18 Cb -0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1ulp s ALA 18 CO 0.21 0.05 -0.12 1.52 0.00 0.00 0.00 175.76 177.43 1ulp s TYR 19 N 0.78 2.74 0.00 0.00 -0.85 -0.73 -4.87 117.35 114.42 1ulp s TYR 19 Ca -0.12 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1ulp s TYR 19 Cb -0.15 -1.52 0.00 0.00 0.38 0.00 0.00 41.96 40.66 1ulp s TYR 19 CO 0.02 0.33 0.00 0.41 -1.52 0.00 0.00 175.55 174.80 1ulp n GLY 20 N 1.42 -0.90 0.45 5.49 0.00 -1.26 -2.69 105.19 107.69 1ulp n GLY 20 Ca -0.15 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.01 2.61 -2.24 -1.26 -5.09 114.28 104.29 1ulp n THR 21 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1ulp n THR 21 Cb 0.00 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 1ulp n THR 21 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ulp s ASP 22 N -0.36 5.94 0.00 3.42 1.47 -1.25 -4.88 116.67 121.01 1ulp s ASP 22 Ca 0.00 0.18 0.00 0.00 1.18 0.00 0.00 52.55 53.91 1ulp s ASP 22 Cb 0.00 -1.75 0.00 0.00 -0.34 0.00 0.00 42.92 40.83 1ulp s ASP 22 CO 0.00 0.22 0.00 0.61 0.68 0.00 0.00 175.17 176.68 1ulp n GLY 23 N 0.76 -1.19 3.73 2.12 0.00 -1.26 -4.90 105.19 104.45 1ulp n GLY 23 Ca -0.10 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 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 4.49 -0.45 1.61 0.04 -1.26 -4.88 135.00 134.54 1ulp s PRO 24 Ca 0.00 1.82 -0.43 0.00 0.04 0.00 0.00 61.00 62.43 1ulp s PRO 24 Cb 0.00 -3.28 -0.18 0.00 0.04 0.00 0.00 34.50 31.08 1ulp s PRO 24 CO 0.00 -0.12 1.97 1.28 0.04 0.00 0.00 177.00 180.17 1ulp n LEU 25 N 2.97 1.25 -4.56 -3.56 4.77 -1.26 -4.75 117.00 111.86 1ulp n LEU 25 Ca 0.06 0.81 -0.38 0.00 -0.03 0.00 0.00 56.01 56.46 1ulp n LEU 25 Cb 0.45 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1ulp n LEU 25 CO 0.55 -0.74 1.73 -0.62 -1.33 0.00 0.00 177.39 176.98 1ulp s ASP 26 N 5.20 5.09 0.00 -1.43 2.15 -0.56 -4.73 116.67 122.39 1ulp s ASP 26 Ca 1.12 0.71 0.00 0.00 0.43 0.00 0.00 52.55 54.82 1ulp s ASP 26 Cb -1.36 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 38.74 1ulp s ASP 26 CO 0.67 -2.45 0.00 0.35 -0.17 0.00 0.00 175.17 173.57 1ulp n THR 27 N 7.49 0.00 -3.71 1.71 -2.24 -1.26 -1.29 114.28 114.99 1ulp n THR 27 Ca 0.26 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.78 1ulp n THR 27 Cb 0.52 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1ulp n THR 27 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ulp n SER 28 N -0.88 -2.03 0.00 3.42 3.41 -1.26 -4.05 113.62 112.23 1ulp n SER 28 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1ulp n SER 28 Cb 0.00 -1.77 0.00 0.00 -0.26 0.00 0.00 64.21 62.18 1ulp n SER 28 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ulp n THR 29 N -3.60 0.00 0.00 6.66 5.66 -1.26 -4.99 114.28 116.75 1ulp n THR 29 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1ulp n THR 29 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.16 0.44 3.24 1.09 0.00 -1.26 -4.63 105.19 103.91 1ulp n GLY 30 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.36 2.97 -0.53 4.61 0.00 -1.26 -3.11 121.76 123.07 1ulp s ALA 31 Ca 0.00 -1.76 -0.27 0.00 0.00 0.00 0.00 51.96 49.93 1ulp s ALA 31 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1ulp s ALA 31 CO 0.00 -1.32 1.90 -1.17 0.00 0.00 0.00 175.76 175.16 1ulp s LEU 32 N 1.35 3.35 -0.42 0.00 2.96 -0.74 -4.00 118.68 121.19 1ulp s LEU 32 Ca -0.03 0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 54.44 1ulp s LEU 32 Cb -0.20 -2.76 0.09 0.00 0.50 0.00 0.00 46.19 43.82 1ulp s LEU 32 CO 0.01 -2.27 0.25 0.00 -1.32 0.00 0.00 176.35 173.03 1ulp s VAL 34 N 1.36 4.93 -0.49 0.00 -7.23 -0.47 -1.50 120.40 117.00 1ulp s VAL 34 Ca 0.04 0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 60.33 1ulp s VAL 34 Cb -0.23 -3.75 0.11 0.00 0.56 0.00 0.00 36.38 33.07 1ulp s VAL 34 CO 0.00 -0.46 0.39 0.00 -0.31 0.00 0.00 175.10 174.73 1ulp s ALA 35 N -2.26 3.48 -0.18 1.32 0.00 -1.26 -2.98 121.76 119.87 1ulp s ALA 35 Ca 0.47 -2.44 -0.25 0.00 0.00 0.00 0.00 51.96 49.74 1ulp s ALA 35 Cb -0.10 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.03 1ulp s ALA 35 CO 0.32 -1.89 0.83 0.08 0.00 0.00 0.00 175.76 175.11 1ulp s VAL 36 N 1.48 4.87 0.50 0.00 1.01 -0.02 -3.80 120.40 124.45 1ulp s VAL 36 Ca 0.04 1.63 -0.22 0.00 0.00 0.00 0.00 61.98 63.43 1ulp s VAL 36 Cb -0.27 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 1ulp s VAL 36 CO 0.02 0.01 1.19 -2.16 0.00 0.00 0.00 175.10 174.16 1ulp s PRO 37 N 2.26 3.52 -0.33 2.72 0.04 -1.26 -2.14 135.00 139.80 1ulp s PRO 37 Ca 0.38 1.83 -0.40 0.00 0.04 0.00 0.00 61.00 62.85 1ulp s PRO 37 Cb -0.16 -2.27 -0.15 0.00 0.04 0.00 0.00 34.50 31.95 1ulp s PRO 37 CO 0.11 -0.77 1.89 0.00 0.04 0.00 0.00 177.00 178.28 1ulp n ALA 38 N -0.81 0.11 -1.72 8.56 0.00 -1.26 -2.59 120.51 122.80 1ulp n ALA 38 Ca 0.09 0.26 -0.00 0.00 0.00 0.00 0.00 53.44 53.79 1ulp n ALA 38 Cb 0.48 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 5.15 -0.50 1.91 0.00 0.00 0.11 -4.77 105.19 107.08 1ulp n GLY 39 Ca 0.34 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.99 5.88 0.00 1.61 3.41 -1.07 -4.81 113.62 117.65 1ulp n SER 40 Ca 0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1ulp n SER 40 Cb 0.42 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1ulp n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ulp n ALA 41 N 1.24 0.00 -0.14 7.33 0.00 -1.26 -1.57 120.51 126.11 1ulp n ALA 41 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1ulp n ALA 41 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1ulp n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ulp n GLN 42 N 0.00 0.00 -0.15 0.00 0.00 -1.26 -0.60 117.38 115.37 1ulp n GLN 42 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 57.00 57.15 1ulp n GLN 42 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 30.24 30.51 1ulp n GLN 42 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1ulp n TYR 43 N 12.63 0.50 0.00 2.61 0.18 -1.26 -4.79 117.16 127.04 1ulp n TYR 43 Ca 0.00 0.50 0.00 0.00 1.88 0.00 0.00 57.90 60.28 1ulp n TYR 43 Cb 0.00 -0.95 0.00 0.00 -0.38 0.00 0.00 39.34 38.01 1ulp n TYR 43 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1ulp n GLY 44 N -1.13 -0.75 3.99 -7.48 0.00 0.23 -4.99 105.19 95.06 1ulp n GLY 44 Ca 0.17 -1.23 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 1ulp n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 45 N -0.81 2.02 -1.61 1.61 1.01 -1.16 -4.77 120.40 116.70 1ulp s VAL 45 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1ulp s VAL 45 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1ulp s VAL 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1ulp n GLY 46 N -3.08 -1.59 3.24 4.51 0.00 -1.10 -0.35 105.19 106.82 1ulp n GLY 46 Ca 0.17 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1ulp n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ulp s VAL 47 N -2.24 -0.02 -0.09 1.61 1.01 0.25 -1.78 120.40 119.14 1ulp s VAL 47 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1ulp s VAL 47 Cb 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 1ulp s VAL 47 CO 0.00 0.03 -0.24 0.68 0.00 0.00 0.00 175.10 175.57 1ulp s VAL 48 N 1.09 2.12 -0.47 2.92 -7.23 0.21 -1.51 120.40 117.52 1ulp s VAL 48 Ca -0.07 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 1ulp s VAL 48 Cb -0.07 -1.80 0.13 0.00 0.56 0.00 0.00 36.38 35.20 1ulp s VAL 48 CO -0.09 0.56 0.24 -0.22 -0.31 0.00 0.00 175.10 175.28 1ulp s LEU 49 N 0.18 3.65 0.40 1.32 2.96 -1.18 -2.36 118.68 123.64 1ulp s LEU 49 Ca -0.14 -2.78 -0.24 0.00 -0.22 0.00 0.00 54.13 50.75 1ulp s LEU 49 Cb -0.17 -1.39 -0.09 0.00 0.50 0.00 0.00 46.19 45.05 1ulp s LEU 49 CO 0.07 -0.26 1.05 0.54 -1.32 0.00 0.00 176.35 176.44 1ulp s ASN 50 N 0.07 6.77 0.00 3.68 2.20 -1.26 -2.70 114.94 123.70 1ulp s ASN 50 Ca 0.17 2.04 0.00 0.00 -0.94 0.00 0.00 52.86 54.13 1ulp s ASN 50 Cb -0.25 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.42 1ulp s ASN 50 CO -0.01 -0.48 0.00 0.61 -2.94 0.00 0.00 177.10 174.28 1ulp n GLY 51 N 0.36 0.38 3.61 0.45 0.00 -1.24 -4.99 105.19 103.75 1ulp n GLY 51 Ca 0.05 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 1.63 -0.42 1.61 1.01 -1.24 -4.55 120.40 118.45 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 -2.78 0.19 0.00 0.00 0.00 0.00 36.38 33.79 1ulp s VAL 52 CO 0.00 0.00 0.41 0.00 0.00 0.00 0.00 175.10 175.51 1ulp n ALA 53 N -0.97 2.34 -2.66 5.51 0.00 -1.22 -4.52 120.51 119.00 1ulp n ALA 53 Ca -0.07 -2.97 -0.23 0.00 0.00 0.00 0.00 53.44 50.17 1ulp n ALA 53 Cb 0.67 -0.83 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 1ulp n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ulp s ILE 54 N -0.10 3.54 -0.19 0.00 -1.09 -1.02 -4.87 121.20 117.46 1ulp s ILE 54 Ca 0.33 -1.82 -0.12 0.00 -2.23 0.00 0.00 60.65 56.81 1ulp s ILE 54 Cb 0.07 -2.88 0.06 0.00 -1.58 0.00 0.00 42.46 38.13 1ulp s ILE 54 CO -0.17 -0.34 0.48 -0.70 -1.23 0.00 0.00 174.94 172.98 1ulp s GLU 55 N -3.58 0.49 0.00 2.79 2.12 -1.22 -1.10 118.70 118.20 1ulp s GLU 55 Ca 0.31 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.48 1ulp s GLU 55 Cb -0.07 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.39 1ulp s GLU 55 CO 0.20 -0.14 0.00 -0.85 -0.54 0.00 0.00 175.26 173.93 1ulp n GLU 56 N 3.95 0.00 -2.80 4.30 0.28 0.43 -3.01 120.64 123.78 1ulp n GLU 56 Ca -0.21 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.36 1ulp n GLU 56 Cb 0.56 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.43 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 2.08 0.48 -1.84 0.00 -1.22 -2.12 107.32 104.70 1ulp s GLY 57 Ca 0.00 -3.14 0.07 0.00 0.00 0.00 0.00 44.72 41.65 1ulp s GLY 57 CO 0.00 2.31 0.48 -1.59 0.00 0.00 0.00 173.10 174.30 1ulp s THR 58 N 2.67 2.33 0.34 0.90 2.01 -0.66 -4.86 115.64 118.37 1ulp s THR 58 Ca 0.46 -1.29 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1ulp s THR 58 Cb -0.00 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 1ulp s THR 58 CO 0.02 0.00 0.65 -0.89 -0.69 0.00 0.00 174.62 173.71 1ulp s THR 59 N -2.58 4.92 0.38 -0.82 2.01 -1.26 -0.33 115.64 117.97 1ulp s THR 59 Ca 0.48 0.29 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 1ulp s THR 59 Cb -0.04 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.79 1ulp s THR 59 CO 0.29 -0.41 0.78 -0.31 -0.69 0.00 0.00 174.62 174.28 1ulp s TYR 60 N -2.21 0.12 -0.16 4.92 2.02 -0.48 -3.87 117.35 117.69 1ulp s TYR 60 Ca 0.47 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 56.32 1ulp s TYR 60 Cb -0.11 0.83 0.07 0.00 -0.40 0.00 0.00 41.96 42.35 1ulp s TYR 60 CO 0.31 -1.56 0.36 0.99 -1.57 0.00 0.00 175.55 174.08 1ulp s THR 61 N -2.37 -0.37 -0.28 -0.71 2.01 -1.24 -2.52 115.64 110.15 1ulp s THR 61 Ca 0.15 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.12 1ulp s THR 61 Cb -0.05 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 1ulp s THR 61 CO 0.11 0.07 0.65 -0.22 -0.69 0.00 0.00 174.62 174.55 1ulp s LEU 62 N 2.11 4.10 -0.18 4.42 2.96 -0.30 -4.27 118.68 127.52 1ulp s LEU 62 Ca -0.04 0.60 -0.00 0.00 -0.22 0.00 0.00 54.13 54.47 1ulp s LEU 62 Cb -0.11 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 43.75 1ulp s LEU 62 CO -0.11 -0.45 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.81 1ulp s ARG 63 N 2.61 1.55 -0.22 1.98 6.06 -1.10 -2.46 118.95 127.37 1ulp s ARG 63 Ca 0.27 -0.62 -0.23 0.00 -2.50 0.00 0.00 55.73 52.64 1ulp s ARG 63 Cb -0.15 -2.15 0.06 0.00 0.06 0.00 0.00 34.95 32.78 1ulp s ARG 63 CO 0.10 -0.45 0.64 1.52 -2.50 0.00 0.00 175.30 174.61 1ulp s TYR 64 N 1.57 -0.69 -0.37 5.12 -0.85 -0.95 -1.09 117.35 120.09 1ulp s TYR 64 Ca -0.00 1.64 0.03 0.00 -0.52 0.00 0.00 57.07 58.22 1ulp s TYR 64 Cb -0.16 0.26 0.10 0.00 0.38 0.00 0.00 41.96 42.54 1ulp s TYR 64 CO -0.08 -0.37 0.09 0.99 -1.52 0.00 0.00 175.55 174.66 1ulp s THR 65 N 0.16 2.40 0.11 -3.49 2.01 -1.26 0.45 115.64 116.02 1ulp s THR 65 Ca -0.01 -2.43 0.03 0.00 0.31 0.00 0.00 61.69 59.58 1ulp s THR 65 Cb -0.04 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1ulp s THR 65 CO 0.02 -0.63 0.16 0.00 -0.69 0.00 0.00 174.62 173.48 1ulp s ALA 66 N 0.79 3.72 -0.25 7.40 0.00 -0.95 -3.02 121.76 129.46 1ulp s ALA 66 Ca 0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 1ulp s ALA 66 Cb -0.20 -1.55 0.13 0.00 0.00 0.00 0.00 23.12 21.50 1ulp s ALA 66 CO -0.07 0.65 0.35 0.99 0.00 0.00 0.00 175.76 177.69 1ulp s THR 67 N -1.58 -0.55 -0.05 0.00 2.01 -0.88 -2.53 115.64 112.07 1ulp s THR 67 Ca 0.32 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 1ulp s THR 67 Cb -0.11 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 1ulp s THR 67 CO 0.25 -0.17 0.43 0.00 -0.69 0.00 0.00 174.62 174.43 1ulp s ALA 68 N 2.50 3.61 0.59 7.40 0.00 -1.13 -2.48 121.76 132.27 1ulp s ALA 68 Ca 0.11 -0.21 0.30 0.00 0.00 0.00 0.00 51.96 52.16 1ulp s ALA 68 Cb -0.15 -2.48 1.24 0.00 0.00 0.00 0.00 23.12 21.72 1ulp s ALA 68 CO -0.18 0.29 1.57 1.03 0.00 0.00 0.00 175.76 178.47 1ulp h SER 69 N 5.49 0.00 -5.53 0.00 0.87 -1.76 -2.98 113.55 109.63 1ulp h SER 69 Ca -0.47 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.48 1ulp h SER 69 Cb 1.20 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.08 1ulp h SER 69 CO 0.67 0.00 -0.35 1.07 -0.53 0.00 0.00 176.83 177.69 1ulp n THR 70 N -3.53 0.00 -2.62 2.23 5.66 -1.26 -3.92 114.28 110.84 1ulp n THR 70 Ca 0.20 -2.27 -0.43 0.00 -3.05 0.00 0.00 64.05 58.51 1ulp n THR 70 Cb 1.25 0.17 0.01 0.00 -1.55 0.00 0.00 70.33 70.21 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 -1.63 5.83 -4.87 1.09 2.03 -1.26 -2.26 116.55 115.49 1ulp n ASP 71 Ca -0.09 -3.26 -0.33 0.00 0.52 0.00 0.00 54.79 51.62 1ulp n ASP 71 Cb 0.63 -1.37 -0.05 0.00 -0.72 0.00 0.00 41.12 39.61 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 -1.21 4.98 -0.45 5.18 0.11 -1.19 -4.80 120.40 123.02 1ulp s VAL 72 Ca 0.36 0.51 0.02 0.00 -2.93 0.00 0.00 61.98 59.95 1ulp s VAL 72 Cb 0.08 -3.66 0.14 0.00 -1.53 0.00 0.00 36.38 31.41 1ulp s VAL 72 CO 0.05 0.12 0.25 -0.89 -3.33 0.00 0.00 175.10 171.30 1ulp s THR 73 N -1.59 1.55 0.00 5.04 2.01 -1.26 -0.09 115.64 121.29 1ulp s THR 73 Ca 0.40 -2.68 0.00 0.00 0.31 0.00 0.00 61.69 59.72 1ulp s THR 73 Cb -0.13 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1ulp s THR 73 CO 0.20 -0.89 0.00 1.33 -0.69 0.00 0.00 174.62 174.57 1ulp n VAL 74 N 3.44 0.00 -4.71 3.82 0.24 -1.18 -4.87 118.33 115.07 1ulp n VAL 74 Ca 0.09 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.15 1ulp n VAL 74 Cb 0.35 -0.18 -0.16 0.00 -1.47 0.00 0.00 33.84 32.38 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 1.87 1.39 0.04 7.34 0.52 -1.07 -3.47 118.95 125.57 1ulp s ARG 75 Ca 0.00 -0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1ulp s ARG 75 Cb 0.00 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.16 1ulp s ARG 75 CO 0.00 0.26 -0.04 0.00 0.02 0.00 0.00 175.30 175.55 1ulp s ALA 76 N -0.12 0.41 0.00 2.13 0.00 -1.14 -2.18 121.76 120.85 1ulp s ALA 76 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ulp s ALA 76 Cb -0.08 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1ulp s ALA 76 CO 0.01 -0.25 0.00 1.47 0.00 0.00 0.00 175.76 176.99 1ulp n LEU 77 N 0.77 0.00 -4.03 0.00 -0.00 -0.85 -3.12 117.00 109.77 1ulp n LEU 77 Ca -0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.73 1ulp n LEU 77 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.93 1ulp n LEU 77 CO 0.25 0.00 0.02 -0.69 -0.00 0.00 0.00 177.39 176.97 1ulp s VAL 78 N -3.26 0.02 -0.05 1.47 1.01 -1.25 -1.78 120.40 116.56 1ulp s VAL 78 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 1ulp s VAL 78 Cb 0.00 -2.16 0.11 0.00 0.00 0.00 0.00 36.38 34.33 1ulp s VAL 78 CO 0.00 -0.09 1.33 -0.83 0.00 0.00 0.00 175.10 175.51 1ulp s GLY 79 N -3.03 -0.25 -0.12 4.51 0.00 -1.18 -3.57 107.32 103.68 1ulp s GLY 79 Ca 0.25 0.31 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 1ulp s GLY 79 CO 0.07 4.34 -0.01 1.62 0.00 0.00 0.00 173.10 179.13 1ulp s GLN 80 N -2.07 3.33 -0.38 2.90 2.00 -1.08 -2.41 119.66 121.94 1ulp s GLN 80 Ca 0.26 -0.44 0.03 0.00 -2.00 0.00 0.00 55.36 53.21 1ulp s GLN 80 Cb 0.02 -2.88 0.11 0.00 0.80 0.00 0.00 33.01 31.06 1ulp s GLN 80 CO -0.03 0.50 0.12 -0.80 -0.50 0.00 0.00 175.29 174.58 1ulp s ASN 81 N -0.31 4.41 0.00 6.67 -0.87 0.13 -4.26 114.94 120.71 1ulp s ASN 81 Ca 0.06 -2.30 0.00 0.00 -1.57 0.00 0.00 52.86 49.06 1ulp s ASN 81 Cb -0.12 -1.43 0.00 0.00 -0.02 0.00 0.00 41.25 39.68 1ulp s ASN 81 CO 0.02 -0.34 0.00 0.61 -2.57 0.00 0.00 177.10 174.82 1ulp n GLY 82 N 4.04 0.56 1.69 0.66 0.00 -1.26 0.21 105.19 111.09 1ulp n GLY 82 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.99 0.93 4.61 0.00 -1.26 -4.73 120.51 118.07 1ulp n ALA 83 Ca 0.00 0.50 0.01 0.00 0.00 0.00 0.00 53.44 53.94 1ulp n ALA 83 Cb 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.00 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 -1.57 1.40 -1.34 0.00 -0.04 -1.26 -4.94 135.00 127.24 1ulp n PRO 84 Ca 0.00 -0.34 0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1ulp n PRO 84 Cb 0.20 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.02 -3.32 0.00 0.54 4.01 -1.26 -5.05 117.16 112.10 1ulp n TYR 85 Ca 0.03 1.74 0.00 0.00 -0.16 0.00 0.00 57.90 59.51 1ulp n TYR 85 Cb 0.31 -3.02 0.00 0.00 -0.31 0.00 0.00 39.34 36.32 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 -4.03 3.43 3.89 2.72 0.00 -1.26 -4.69 105.19 105.25 1ulp n GLY 86 Ca -0.03 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1ulp n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ulp s THR 87 N 0.00 5.31 0.00 2.61 -4.23 -1.26 -2.63 115.64 115.44 1ulp s THR 87 Ca 0.00 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1ulp s THR 87 Cb 0.00 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1ulp s THR 87 CO 0.00 0.31 0.00 1.33 -0.54 0.00 0.00 174.62 175.72 1ulp n VAL 88 N 0.94 0.00 -4.45 2.29 0.24 -1.23 -4.78 118.33 111.33 1ulp n VAL 88 Ca -0.10 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.34 61.76 1ulp n VAL 88 Cb 0.53 0.55 -0.11 0.00 -1.47 0.00 0.00 33.84 33.34 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 -2.20 3.37 -0.45 1.34 1.02 -1.26 -4.87 118.68 115.64 1ulp s LEU 89 Ca 0.00 0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.22 1ulp s LEU 89 Cb 0.00 -1.77 0.18 0.00 0.02 0.00 0.00 46.19 44.61 1ulp s LEU 89 CO 0.00 0.31 0.53 -0.62 0.02 0.00 0.00 176.35 176.59 1ulp s ASP 90 N -0.49 -0.02 0.32 2.29 -1.08 -1.26 -3.89 116.67 112.54 1ulp s ASP 90 Ca 0.08 -2.14 0.07 0.00 -0.52 0.00 0.00 52.55 50.04 1ulp s ASP 90 Cb -0.12 0.86 -0.03 0.00 -1.46 0.00 0.00 42.92 42.17 1ulp s ASP 90 CO 0.02 -0.13 0.27 0.42 0.52 0.00 0.00 175.17 176.27 1ulp s THR 91 N 0.72 0.00 -0.25 1.71 -4.23 -1.18 -5.09 115.64 107.33 1ulp s THR 91 Ca 0.28 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.82 1ulp s THR 91 Cb -0.01 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1ulp s THR 91 CO -0.10 0.00 -0.12 -0.44 -0.54 0.00 0.00 174.62 173.42 1ulp s SER 92 N -3.35 4.21 -0.63 3.99 0.01 -1.26 -2.90 113.70 113.76 1ulp s SER 92 Ca 0.41 -1.25 -0.26 0.00 1.31 0.00 0.00 55.95 56.16 1ulp s SER 92 Cb 0.03 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.69 1ulp s SER 92 CO 0.26 -0.15 1.85 -2.16 0.41 0.00 0.00 173.24 173.45 1ulp s PRO 93 N 1.14 2.64 0.54 12.44 0.04 -1.23 -4.93 135.00 145.65 1ulp s PRO 93 Ca -0.06 0.54 -0.17 0.00 0.04 0.00 0.00 61.00 61.35 1ulp s PRO 93 Cb -0.19 -4.41 -0.06 0.00 0.04 0.00 0.00 34.50 29.88 1ulp s PRO 93 CO -0.06 -2.75 1.03 0.00 0.04 0.00 0.00 177.00 175.26 1ulp s ALA 94 N 9.03 2.87 0.19 8.56 0.00 -1.26 -3.13 121.76 138.02 1ulp s ALA 94 Ca 0.66 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 1ulp s ALA 94 Cb -0.12 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1ulp s ALA 94 CO 0.20 -0.49 0.19 -0.51 0.00 0.00 0.00 175.76 175.15 1ulp s LEU 95 N -4.07 1.10 0.00 0.00 1.43 0.87 -4.89 118.68 113.13 1ulp s LEU 95 Ca 0.63 -1.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 1ulp s LEU 95 Cb -0.14 0.66 0.08 0.00 0.03 0.00 0.00 46.19 46.82 1ulp s LEU 95 CO 0.30 -0.87 1.15 1.07 0.23 0.00 0.00 176.35 178.22 1ulp n THR 96 N -0.25 0.00 0.39 5.49 5.66 -0.96 -3.13 114.28 121.48 1ulp n THR 96 Ca -0.01 -0.12 0.05 0.00 -3.05 0.00 0.00 64.05 60.92 1ulp n THR 96 Cb 0.65 0.50 0.23 0.00 -1.55 0.00 0.00 70.33 70.16 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 -0.96 0.00 -4.88 1.09 2.88 -1.13 -2.82 113.62 107.80 1ulp n SER 97 Ca 0.04 0.35 -0.21 0.00 -1.33 0.00 0.00 58.87 57.73 1ulp n SER 97 Cb 0.51 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1ulp n SER 97 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ulp s GLU 98 N -2.82 2.62 0.08 -1.46 2.02 -1.26 -4.97 118.70 112.91 1ulp s GLU 98 Ca 0.07 -1.43 -0.31 0.00 0.02 0.00 0.00 54.97 53.32 1ulp s GLU 98 Cb 0.07 -2.44 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 1ulp s GLU 98 CO 0.17 -0.09 1.25 -1.25 0.02 0.00 0.00 175.26 175.35 1ulp s PRO 99 N -4.10 4.41 -0.48 0.39 0.04 -1.26 -4.68 135.00 129.32 1ulp s PRO 99 Ca 0.46 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.39 1ulp s PRO 99 Cb -0.05 -3.32 0.12 0.00 0.04 0.00 0.00 34.50 31.30 1ulp s PRO 99 CO 0.28 -0.29 0.21 0.50 0.04 0.00 0.00 177.00 177.74 1ulp s ARG 100 N 1.00 1.87 0.55 4.56 3.52 -1.05 -5.03 118.95 124.37 1ulp s ARG 100 Ca 0.60 -2.45 -0.17 0.00 -0.13 0.00 0.00 55.73 53.58 1ulp s ARG 100 Cb -0.31 -3.30 -0.06 0.00 -1.56 0.00 0.00 34.95 29.72 1ulp s ARG 100 CO 0.30 -1.07 1.04 -0.65 -0.81 0.00 0.00 175.30 174.11 1ulp s GLN 101 N -0.01 3.54 -0.04 5.12 -0.21 -1.26 -2.23 119.66 124.56 1ulp s GLN 101 Ca 0.16 1.22 0.03 0.00 0.02 0.00 0.00 55.36 56.79 1ulp s GLN 101 Cb -0.24 -2.06 0.01 0.00 1.00 0.00 0.00 33.01 31.71 1ulp s GLN 101 CO -0.02 -0.63 -0.11 0.08 -2.12 0.00 0.00 175.29 172.49 1ulp s VAL 102 N -2.33 0.97 -0.17 1.09 1.01 0.17 -4.91 120.40 116.24 1ulp s VAL 102 Ca 0.64 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1ulp s VAL 102 Cb -0.15 -0.87 0.07 0.00 0.00 0.00 0.00 36.38 35.42 1ulp s VAL 102 CO 0.31 0.30 0.37 0.42 0.00 0.00 0.00 175.10 176.50 1ulp s THR 103 N 0.36 -0.33 0.04 3.92 -4.23 -1.23 -2.24 115.64 111.93 1ulp s THR 103 Ca -0.07 0.16 -0.24 0.00 -1.18 0.00 0.00 61.69 60.36 1ulp s THR 103 Cb -0.12 -0.58 0.06 0.00 1.34 0.00 0.00 72.50 73.21 1ulp s THR 103 CO 0.02 0.07 0.56 -1.61 -0.54 0.00 0.00 174.62 173.12 1ulp s GLU 104 N 2.04 1.07 -0.24 3.99 2.02 -1.03 -4.96 118.70 121.59 1ulp s GLU 104 Ca -0.05 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1ulp s GLU 104 Cb -0.11 0.49 0.03 0.00 0.10 0.00 0.00 34.13 34.65 1ulp s GLU 104 CO -0.12 -0.39 -0.10 0.99 0.02 0.00 0.00 175.26 175.66 1ulp s THR 105 N -2.38 2.53 0.15 3.63 2.01 -1.26 -1.15 115.64 119.17 1ulp s THR 105 Ca -0.06 -1.18 0.07 0.00 0.31 0.00 0.00 61.69 60.84 1ulp s THR 105 Cb -0.01 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 1ulp s THR 105 CO -0.01 0.20 -0.16 0.72 -0.69 0.00 0.00 174.62 174.68 1ulp s PHE 106 N 1.26 1.61 -0.92 4.92 -0.71 -1.05 -4.96 117.98 118.12 1ulp s PHE 106 Ca -0.01 -0.52 -0.17 0.00 -1.04 0.00 0.00 56.93 55.19 1ulp s PHE 106 Cb -0.17 -0.81 0.17 0.00 -1.21 0.00 0.00 43.02 40.99 1ulp s PHE 106 CO -0.06 0.24 1.04 0.99 -1.34 0.00 0.00 175.22 176.08 1ulp s THR 107 N -2.19 5.07 -0.93 -4.49 2.01 -1.26 -1.38 115.64 112.47 1ulp s THR 107 Ca 0.13 -1.99 -0.30 0.00 0.31 0.00 0.00 61.69 59.84 1ulp s THR 107 Cb -0.05 -4.69 -0.20 0.00 0.01 0.00 0.00 72.50 67.58 1ulp s THR 107 CO 0.05 -1.36 2.66 0.00 -0.69 0.00 0.00 174.62 175.28 1ulp n ALA 108 N 5.56 0.35 -1.50 7.40 0.00 0.55 -4.56 120.51 128.32 1ulp n ALA 108 Ca 0.22 -0.36 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 1ulp n ALA 108 Cb 0.48 -2.39 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 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 11.20 6.61 0.00 0.00 3.41 -1.26 -1.65 113.62 131.93 1ulp n SER 109 Ca 0.62 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1ulp n SER 109 Cb 0.10 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 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 1.31 0.00 -3.62 7.33 0.00 -0.90 -4.77 120.51 119.86 1ulp n ALA 110 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.88 1ulp n ALA 110 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.48 -0.71 -0.62 0.00 2.01 -1.26 0.16 115.64 113.74 1ulp s THR 111 Ca 0.00 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.11 1ulp s THR 111 Cb 0.00 -0.74 0.16 0.00 0.01 0.00 0.00 72.50 71.93 1ulp s THR 111 CO 0.00 0.04 0.42 -0.31 -0.69 0.00 0.00 174.62 174.09 1ulp s TYR 112 N 2.66 3.37 0.00 4.92 2.02 -0.25 -4.70 117.35 125.37 1ulp s TYR 112 Ca -0.01 -2.83 0.00 0.00 -0.37 0.00 0.00 57.07 53.86 1ulp s TYR 112 Cb -0.12 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.32 1ulp s TYR 112 CO -0.14 -0.81 0.00 -0.35 -1.57 0.00 0.00 175.55 172.68 1ulp n PRO 113 N 3.32 1.21 -2.23 -1.71 -0.04 -1.26 -2.42 135.00 131.87 1ulp n PRO 113 Ca 0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1ulp n PRO 113 Cb 0.37 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.88 1ulp n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ulp n ALA 114 N -3.00 2.98 -3.54 0.55 0.00 -1.26 -3.72 120.51 112.51 1ulp n ALA 114 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 53.44 51.60 1ulp n ALA 114 Cb 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.73 4.43 0.04 0.00 2.01 -1.26 -4.98 115.64 115.14 1ulp s THR 115 Ca 0.13 -2.27 -0.30 0.00 0.31 0.00 0.00 61.69 59.56 1ulp s THR 115 Cb 0.32 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1ulp s THR 115 CO -0.09 -0.87 1.26 -2.16 -0.69 0.00 0.00 174.62 172.07 1ulp s PRO 116 N 0.68 4.38 0.00 4.92 0.04 -1.15 -4.37 135.00 139.50 1ulp s PRO 116 Ca 0.12 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1ulp s PRO 116 Cb -0.21 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1ulp s PRO 116 CO -0.03 -0.37 0.00 0.00 0.04 0.00 0.00 177.00 176.64 1ulp n ALA 117 N 4.39 0.00 0.29 8.56 0.00 -1.10 -4.89 120.51 127.76 1ulp n ALA 117 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1ulp n ALA 117 Cb 0.45 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.21 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 1.39 -1.99 0.00 0.00 -1.26 -3.52 120.51 112.13 1ulp n ALA 118 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1ulp n ALA 118 Cb 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1ulp n ALA 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ulp n ASP 119 N -1.78 -0.19 -3.38 0.00 -0.08 -1.26 -5.01 116.55 104.85 1ulp n ASP 119 Ca 0.01 -1.18 -0.27 0.00 -1.51 0.00 0.00 54.79 51.85 1ulp n ASP 119 Cb 0.12 0.06 -0.08 0.00 2.34 0.00 0.00 41.12 43.56 1ulp n ASP 119 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ulp n ASP 120 N 0.00 3.28 -0.40 1.67 8.00 -1.23 -4.61 116.55 123.26 1ulp n ASP 120 Ca -0.05 -3.35 0.00 0.00 0.71 0.00 0.00 54.79 52.10 1ulp n ASP 120 Cb 0.53 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1ulp n ASP 120 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1ulp n PRO 121 N 0.90 0.82 -0.00 -0.24 -0.04 -0.88 -2.70 135.00 132.86 1ulp n PRO 121 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1ulp n PRO 121 Cb 0.43 -1.33 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.03 -0.00 -4.11 0.54 0.28 0.55 -4.56 120.64 113.31 1ulp n GLU 122 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1ulp n GLU 122 Cb 0.17 -0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.99 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 -0.25 1.48 0.00 -1.84 0.00 -1.24 0.18 107.32 105.64 1ulp s GLY 123 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1ulp s GLY 123 CO 0.00 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.29 1ulp n GLN 124 N -1.00 0.00 -4.65 2.90 10.64 -1.01 -3.63 117.38 120.63 1ulp n GLN 124 Ca -0.08 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.79 1ulp n GLN 124 Cb 0.57 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.82 1ulp n GLN 124 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1ulp s ILE 125 N -0.41 2.42 -0.25 -0.39 1.01 -1.10 -3.09 121.20 119.39 1ulp s ILE 125 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 60.65 59.21 1ulp s ILE 125 Cb 0.00 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.49 1ulp s ILE 125 CO 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 174.94 175.13 1ulp s ALA 126 N -0.93 2.66 -0.68 9.38 0.00 -0.73 -3.13 121.76 128.31 1ulp s ALA 126 Ca 0.14 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.67 1ulp s ALA 126 Cb -0.10 -1.64 0.21 0.00 0.00 0.00 0.00 23.12 21.58 1ulp s ALA 126 CO 0.05 -0.83 0.61 1.19 0.00 0.00 0.00 175.76 176.78 1ulp n PHE 127 N 4.64 3.45 -3.08 0.00 3.01 -0.57 -2.01 117.46 122.90 1ulp n PHE 127 Ca -0.16 -4.24 -0.40 0.00 1.01 0.00 0.00 57.45 53.65 1ulp n PHE 127 Cb 0.47 -0.61 -0.06 0.00 -0.01 0.00 0.00 39.48 39.27 1ulp n PHE 127 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ulp s GLN 128 N -1.92 4.22 -0.72 -1.08 -0.21 -0.93 0.87 119.66 119.89 1ulp s GLN 128 Ca 0.31 0.68 0.01 0.00 0.02 0.00 0.00 55.36 56.38 1ulp s GLN 128 Cb 0.04 -3.58 0.37 0.00 1.00 0.00 0.00 33.01 30.84 1ulp s GLN 128 CO -0.10 -0.26 1.64 1.28 -2.12 0.00 0.00 175.29 175.73 1ulp n LEU 129 N 5.12 6.41 -4.74 2.90 4.77 0.52 -2.59 117.00 129.40 1ulp n LEU 129 Ca -0.00 -5.08 -0.36 0.00 -0.03 0.00 0.00 56.01 50.53 1ulp n LEU 129 Cb 0.49 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 1ulp n LEU 129 CO 0.45 1.99 -0.01 -0.83 -1.33 0.00 0.00 177.39 177.65 1ulp s GLY 130 N -2.06 2.22 -0.15 -0.72 0.00 -1.15 -2.99 107.32 102.47 1ulp s GLY 130 Ca 0.49 -0.45 -0.03 0.00 0.00 0.00 0.00 44.72 44.74 1ulp s GLY 130 CO -0.30 0.40 0.06 0.61 0.00 0.00 0.00 173.10 173.87 1ulp n GLY 131 N 3.29 -2.64 0.35 0.20 0.00 -0.61 -4.89 105.19 100.89 1ulp n GLY 131 Ca -0.12 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 1.39 -0.42 -2.51 1.61 3.72 -1.26 -4.95 117.46 115.04 1ulp n PHE 132 Ca -0.09 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.07 1ulp n PHE 132 Cb 0.28 0.09 0.04 0.00 -0.94 0.00 0.00 39.48 38.95 1ulp n PHE 132 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1ulp s SER 133 N 1.39 5.26 0.00 4.37 0.15 -1.26 -4.74 113.70 118.86 1ulp s SER 133 Ca 0.00 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1ulp s SER 133 Cb 0.00 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1ulp s SER 133 CO 0.00 -1.21 0.00 0.00 1.20 0.00 0.00 173.24 173.23 1ulp n ALA 134 N -2.53 0.00 -0.99 5.45 0.00 -1.26 -4.44 120.51 116.74 1ulp n ALA 134 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 1ulp n ALA 134 Cb 0.59 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.12 1ulp n ALA 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ulp n ASP 135 N 0.00 -3.50 -4.66 0.00 9.92 -1.26 -0.71 116.55 116.33 1ulp n ASP 135 Ca 0.00 0.35 -0.47 0.00 -0.53 0.00 0.00 54.79 54.14 1ulp n ASP 135 Cb 0.00 -1.02 -0.04 0.00 -0.64 0.00 0.00 41.12 39.42 1ulp n ASP 135 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ulp n ALA 136 N -2.81 1.04 -3.08 2.24 0.00 -1.26 -4.34 120.51 112.30 1ulp n ALA 136 Ca 0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ulp n ALA 136 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 3.74 0.00 -3.82 0.00 2.14 -0.91 -4.83 117.44 113.76 1ulp n TRP 137 Ca 0.18 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.67 1ulp n TRP 137 Cb 0.28 0.00 0.01 0.00 -0.81 0.00 0.00 31.31 30.79 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 -0.94 0.00 -0.06 -1.67 2.01 -1.26 -0.84 115.64 112.88 1ulp s THR 138 Ca 0.00 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1ulp s THR 138 Cb 0.00 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.88 1ulp s THR 138 CO 0.00 0.00 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.13 1ulp s LEU 139 N -3.06 1.16 -0.36 4.42 1.02 -1.16 -3.69 118.68 117.02 1ulp s LEU 139 Ca 0.15 -0.16 0.03 0.00 0.02 0.00 0.00 54.13 54.18 1ulp s LEU 139 Cb -0.05 -0.53 0.10 0.00 0.02 0.00 0.00 46.19 45.73 1ulp s LEU 139 CO 0.10 -0.09 0.08 0.00 0.02 0.00 0.00 176.35 176.46 1ulp n LEU 141 N 4.20 0.00 0.00 0.00 4.77 -0.58 -2.06 117.00 123.33 1ulp n LEU 141 Ca 0.03 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1ulp n LEU 141 Cb 0.41 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1ulp n LEU 141 CO 0.22 -1.10 0.00 -0.90 -1.33 0.00 0.00 177.39 174.28 1ulp n ASP 142 N -3.11 0.00 -2.66 -1.43 5.68 -1.17 -1.78 116.55 112.08 1ulp n ASP 142 Ca 0.17 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.42 1ulp n ASP 142 Cb 0.60 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.61 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 -1.25 -4.64 -1.12 -0.08 -1.21 -3.73 116.55 104.51 1ulp n ASP 143 Ca 0.00 -1.81 -0.40 0.00 -1.51 0.00 0.00 54.79 51.06 1ulp n ASP 143 Cb 0.00 1.06 -0.06 0.00 2.34 0.00 0.00 41.12 44.46 1ulp n ASP 143 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ulp s VAL 144 N 0.05 4.99 -0.05 5.18 1.01 0.65 -2.43 120.40 129.80 1ulp s VAL 144 Ca 0.09 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 1ulp s VAL 144 Cb 0.15 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1ulp s VAL 144 CO -0.06 0.05 0.16 0.00 0.00 0.00 0.00 175.10 175.25 1ulp s ALA 145 N 2.31 -0.38 -0.14 5.51 0.00 -0.25 -3.18 121.76 125.63 1ulp s ALA 145 Ca 0.28 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1ulp s ALA 145 Cb -0.16 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.80 1ulp s ALA 145 CO 0.09 -0.09 0.30 -1.17 0.00 0.00 0.00 175.76 174.89 1ulp s LEU 146 N -0.05 -0.14 0.00 0.00 2.96 -1.26 -2.69 118.68 117.51 1ulp s LEU 146 Ca -0.01 0.67 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 1ulp s LEU 146 Cb -0.02 0.88 -0.02 0.00 0.50 0.00 0.00 46.19 47.53 1ulp s LEU 146 CO 0.00 -0.21 0.17 -0.67 -1.32 0.00 0.00 176.35 174.32 1ulp n ASP 147 N 4.93 0.16 -4.09 3.68 -0.08 -1.23 -3.20 116.55 116.73 1ulp n ASP 147 Ca -0.14 -2.65 -0.19 0.00 -1.51 0.00 0.00 54.79 50.30 1ulp n ASP 147 Cb 0.51 1.07 -0.09 0.00 2.34 0.00 0.00 41.12 44.95 1ulp n ASP 147 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1ulp s SER 148 N -2.82 1.64 -0.69 1.67 1.04 -1.26 -3.71 113.70 109.58 1ulp s SER 148 Ca 0.24 -1.53 -0.00 0.00 0.48 0.00 0.00 55.95 55.14 1ulp s SER 148 Cb 0.01 0.33 0.40 0.00 0.10 0.00 0.00 66.02 66.86 1ulp s SER 148 CO 0.17 -0.85 1.84 1.21 0.98 0.00 0.00 173.24 176.59 1ulp n GLU 149 N -0.60 2.90 -3.65 4.02 4.07 -1.25 -4.93 120.64 121.20 1ulp n GLU 149 Ca -0.00 -3.63 -0.02 0.00 -0.06 0.00 0.00 57.16 53.44 1ulp n GLU 149 Cb 0.65 -2.27 -0.07 0.00 -0.06 0.00 0.00 31.44 29.69 1ulp n GLU 149 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1ulp s VAL 150 N -5.01 0.00 0.99 6.31 0.11 -1.26 -4.97 120.40 116.57 1ulp s VAL 150 Ca 0.56 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.43 1ulp s VAL 150 Cb 0.45 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 34.21 1ulp s VAL 150 CO -0.21 0.00 -0.54 -0.62 -3.33 0.00 0.00 175.10 170.40 1ulp n GLU 151 N 1.55 -0.17 0.00 1.54 1.02 -1.26 -5.08 120.64 118.23 1ulp n GLU 151 Ca -0.10 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1ulp n GLU 151 Cb 0.57 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1ulp n GLU 151 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20