#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgo s GLU 2 N 0.00 3.47 -0.04 0.03 8.01 -1.26 -5.07 118.70 123.84 1sgo s GLU 2 Ca 0.00 -0.53 -0.22 0.00 0.01 0.00 0.00 54.97 54.23 1sgo s GLU 2 Cb 0.00 -2.90 -0.04 0.00 -4.31 0.00 0.00 34.13 26.87 1sgo s GLU 2 CO 0.00 0.45 0.65 -0.08 0.01 0.00 0.00 175.26 176.29 1sgo s THR 3 N -1.84 4.98 0.00 3.63 -1.32 -1.26 -4.83 115.64 115.00 1sgo s THR 3 Ca 0.36 1.35 0.00 0.00 -1.21 0.00 0.00 61.69 62.19 1sgo s THR 3 Cb -0.11 -3.99 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 1sgo s THR 3 CO 0.29 0.33 0.16 -0.67 -2.21 0.00 0.00 174.62 172.52 1sgo n ASP 4 N 3.31 0.00 -4.22 8.08 2.03 -1.26 -5.04 116.55 119.45 1sgo n ASP 4 Ca -0.04 -1.02 -0.42 0.00 0.52 0.00 0.00 54.79 53.84 1sgo n ASP 4 Cb 0.51 -0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 1sgo n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sgo s ASN 6 N 1.81 6.83 -0.24 0.00 2.47 -1.26 -4.95 114.94 119.59 1sgo s ASN 6 Ca 0.14 0.99 -0.03 0.00 0.42 0.00 0.00 52.86 54.37 1sgo s ASN 6 Cb -0.18 -2.32 -0.10 0.00 -1.45 0.00 0.00 41.25 37.20 1sgo s ASN 6 CO -0.04 0.06 1.93 -2.65 -3.72 0.00 0.00 177.10 172.68 1sgo n PRO 7 N 3.13 1.18 -0.02 0.43 -0.02 -1.26 -3.73 135.00 134.71 1sgo n PRO 7 Ca -0.07 -0.73 0.07 0.00 -2.02 0.00 0.00 63.50 60.75 1sgo n PRO 7 Cb 0.51 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.91 1sgo n PRO 7 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1sgo n MET 8 N 3.28 0.65 -2.61 -0.52 1.56 -1.26 -4.91 117.12 113.30 1sgo n MET 8 Ca 0.25 -0.15 -0.42 0.00 -0.27 0.00 0.00 57.70 57.11 1sgo n MET 8 Cb 0.32 -1.45 -0.03 0.00 2.15 0.00 0.00 33.22 34.21 1sgo n MET 8 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 1sgo s GLU 9 N -3.20 4.55 -0.20 2.12 -1.05 -1.24 -5.03 118.70 114.65 1sgo s GLU 9 Ca -0.07 1.55 0.01 0.00 -0.15 0.00 0.00 54.97 56.31 1sgo s GLU 9 Cb 0.11 -3.40 0.04 0.00 -0.44 0.00 0.00 34.13 30.44 1sgo s GLU 9 CO 0.78 -0.06 -0.13 -0.51 0.95 0.00 0.00 175.26 176.29 1sgo s LEU 10 N 0.76 2.37 -0.12 1.83 1.43 -1.26 -4.94 118.68 118.75 1sgo s LEU 10 Ca 0.53 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1sgo s LEU 10 Cb -0.24 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.67 1sgo s LEU 10 CO 0.29 -0.11 0.11 -0.24 0.23 0.00 0.00 176.35 176.63 1sgo n SER 11 N 4.64 -2.05 -1.34 2.29 2.88 -1.26 -4.95 113.62 113.83 1sgo n SER 11 Ca -0.16 0.76 -0.01 0.00 -1.33 0.00 0.00 58.87 58.14 1sgo n SER 11 Cb 0.47 -3.40 0.25 0.00 -0.75 0.00 0.00 64.21 60.78 1sgo n SER 11 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1sgo n SER 12 N 0.82 3.70 0.00 -3.46 3.41 -1.26 -5.02 113.62 111.82 1sgo n SER 12 Ca -0.18 -3.34 0.00 0.00 -0.26 0.00 0.00 58.87 55.09 1sgo n SER 12 Cb 0.28 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1sgo n SER 12 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1sgo n MET 13 N -0.64 0.00 0.06 4.33 1.56 -1.26 -3.77 117.12 117.40 1sgo n MET 13 Ca 0.32 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.75 1sgo n MET 13 Cb 1.11 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.48 1sgo n MET 13 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1sgo n SER 14 N 2.97 -1.03 -3.54 6.12 7.64 -1.26 -5.16 113.62 119.35 1sgo n SER 14 Ca 0.00 0.22 -0.03 0.00 1.01 0.00 0.00 58.87 60.07 1sgo n SER 14 Cb 0.00 1.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 1sgo n SER 14 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sgo s GLY 15 N -2.08 -0.06 -0.24 0.23 0.00 -1.25 -5.03 107.32 98.89 1sgo s GLY 15 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 44.72 44.73 1sgo s GLY 15 CO 0.00 1.04 1.33 0.69 0.00 0.00 0.00 173.10 176.17 1sgo n PHE 16 N -0.58 0.53 -2.44 1.90 3.72 -1.26 -5.03 117.46 114.30 1sgo n PHE 16 Ca -0.05 -1.45 -0.41 0.00 -0.05 0.00 0.00 57.45 55.49 1sgo n PHE 16 Cb 0.60 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.76 1sgo n PHE 16 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sgo s GLU 17 N -3.18 4.51 0.00 -1.08 2.02 -1.26 -2.56 118.70 117.16 1sgo s GLU 17 Ca 0.41 1.78 0.00 0.00 0.02 0.00 0.00 54.97 57.18 1sgo s GLU 17 Cb 0.37 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1sgo s GLU 17 CO -0.02 -0.07 0.00 0.39 0.02 0.00 0.00 175.26 175.58 1sgo n GLU 18 N 2.82 -0.51 -1.38 1.61 -0.58 -1.26 -4.89 120.64 116.45 1sgo n GLU 18 Ca 0.05 0.13 -0.33 0.00 -0.42 0.00 0.00 57.16 56.59 1sgo n GLU 18 Cb 0.46 -3.52 0.06 0.00 -0.57 0.00 0.00 31.44 27.86 1sgo n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sgo n GLY 19 N -1.86 5.47 3.74 0.62 0.00 -1.06 -4.98 105.19 107.12 1sgo n GLY 19 Ca 0.00 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 1sgo n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgo s SER 20 N -1.28 7.18 -0.10 1.61 1.04 -1.26 -5.06 113.70 115.83 1sgo s SER 20 Ca 0.57 1.42 0.03 0.00 0.48 0.00 0.00 55.95 58.45 1sgo s SER 20 Cb 0.45 -2.47 0.01 0.00 0.10 0.00 0.00 66.02 64.11 1sgo s SER 20 CO -0.09 -0.04 -0.21 -1.83 0.98 0.00 0.00 173.24 172.05 1sgo s GLU 21 N 0.23 2.74 -0.22 4.02 -1.05 -1.26 -5.11 118.70 118.06 1sgo s GLU 21 Ca 0.40 -0.77 0.02 0.00 -0.15 0.00 0.00 54.97 54.47 1sgo s GLU 21 Cb -0.20 -2.15 0.04 0.00 -0.44 0.00 0.00 34.13 31.39 1sgo s GLU 21 CO 0.23 0.09 -0.13 -0.51 0.95 0.00 0.00 175.26 175.88 1sgo s LEU 22 N 0.56 2.67 -0.26 1.83 1.43 -1.26 -5.09 118.68 118.56 1sgo s LEU 22 Ca -0.14 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 51.85 1sgo s LEU 22 Cb -0.17 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1sgo s LEU 22 CO 0.05 -0.13 0.13 0.21 0.23 0.00 0.00 176.35 176.84 1sgo s ASN 23 N 1.26 5.63 -0.01 2.29 3.84 -1.26 -5.02 114.94 121.68 1sgo s ASN 23 Ca -0.02 -0.08 -0.00 0.00 0.21 0.00 0.00 52.86 52.96 1sgo s ASN 23 Cb -0.17 -2.03 -0.00 0.00 -0.55 0.00 0.00 41.25 38.50 1sgo s ASN 23 CO -0.08 -0.02 -0.01 0.61 -2.79 0.00 0.00 177.10 174.81 1sgo n GLY 24 N 4.86 -0.55 1.87 1.21 0.00 -1.26 -5.08 105.19 106.25 1sgo n GLY 24 Ca -0.15 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 1sgo n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sgo n PHE 25 N -2.38 -0.23 -2.54 1.61 3.72 -1.26 -5.06 117.46 111.31 1sgo n PHE 25 Ca -0.00 -1.56 -0.41 0.00 -0.05 0.00 0.00 57.45 55.42 1sgo n PHE 25 Cb 0.01 0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.64 1sgo n PHE 25 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1sgo s GLU 26 N -2.82 3.77 0.00 -1.08 0.41 -1.26 -4.63 118.70 113.09 1sgo s GLU 26 Ca 0.18 -1.67 0.00 0.00 -0.41 0.00 0.00 54.97 53.08 1sgo s GLU 26 Cb 0.01 -5.46 0.00 0.00 -1.78 0.00 0.00 34.13 26.90 1sgo s GLU 26 CO 0.13 -2.35 0.00 0.41 -0.49 0.00 0.00 175.26 172.96 1sgo n GLY 27 N 5.89 1.69 3.84 -1.39 0.00 -1.26 -4.79 105.19 109.17 1sgo n GLY 27 Ca 0.44 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1sgo n GLY 27 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sgo s THR 28 N 0.00 4.83 -0.93 2.61 -1.32 -1.26 -5.00 115.64 114.56 1sgo s THR 28 Ca 0.00 -0.74 0.28 0.00 -1.21 0.00 0.00 61.69 60.02 1sgo s THR 28 Cb 0.00 -3.39 0.20 0.00 -1.51 0.00 0.00 72.50 67.81 1sgo s THR 28 CO 0.00 0.05 1.79 -0.90 -2.21 0.00 0.00 174.62 173.35 1sgo n ASP 29 N 0.10 0.26 -4.66 8.08 5.75 -1.26 -4.67 116.55 120.14 1sgo n ASP 29 Ca -0.07 0.38 -0.43 0.00 -0.01 0.00 0.00 54.79 54.66 1sgo n ASP 29 Cb 0.52 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 1sgo n ASP 29 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1sgo s MET 30 N -3.03 4.21 -0.03 0.11 1.75 -1.26 -5.01 119.30 116.04 1sgo s MET 30 Ca 0.13 1.90 0.06 0.00 -1.25 0.00 0.00 55.69 56.52 1sgo s MET 30 Cb 0.17 -3.85 -0.02 0.00 2.84 0.00 0.00 34.83 33.97 1sgo s MET 30 CO 0.58 -0.76 -0.20 -1.59 -0.65 0.00 0.00 175.02 172.40 1sgo s LYS 31 N 3.66 2.30 -0.09 4.11 -2.85 -1.26 -5.00 119.74 120.61 1sgo s LYS 31 Ca 0.63 -0.82 -0.04 0.00 -1.00 0.00 0.00 55.97 54.75 1sgo s LYS 31 Cb -0.27 -2.21 -0.04 0.00 -2.06 0.00 0.00 37.83 33.25 1sgo s LYS 31 CO 0.22 0.59 0.07 0.34 0.10 0.00 0.00 175.35 176.66 1sgo s ASP 32 N -0.71 5.75 0.15 0.03 2.15 -1.26 -4.75 116.67 118.03 1sgo s ASP 32 Ca 0.11 0.28 0.05 0.00 0.43 0.00 0.00 52.55 53.41 1sgo s ASP 32 Cb -0.10 -1.73 -0.07 0.00 -0.30 0.00 0.00 42.92 40.72 1sgo s ASP 32 CO -0.00 0.38 1.34 -0.03 -0.17 0.00 0.00 175.17 176.69 1sgo h MET 33 N 4.98 0.09 -0.11 4.34 1.85 -1.72 -2.87 114.93 121.48 1sgo h MET 33 Ca -0.52 -0.12 -0.13 0.00 -0.61 0.00 0.00 59.70 58.32 1sgo h MET 33 Cb 1.21 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.26 1sgo h MET 33 CO 0.57 0.95 -0.51 -0.09 -0.40 0.00 0.00 176.91 177.43 1sgo h ARG 34 N 0.04 0.30 0.39 0.39 2.43 -1.78 0.13 114.38 116.28 1sgo h ARG 34 Ca -0.03 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1sgo h ARG 34 Cb 1.61 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.15 1sgo h ARG 34 CO 0.13 0.74 -0.40 1.25 -1.51 0.00 0.00 179.97 180.18 1sgo h LEU 35 N 0.23 -1.08 -1.47 3.80 5.85 -1.90 0.15 115.31 120.90 1sgo h LEU 35 Ca 0.01 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1sgo h LEU 35 Cb 0.98 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1sgo h LEU 35 CO 0.08 -0.54 0.40 -0.33 -0.34 0.00 0.00 178.44 177.71 1sgo h GLU 36 N -0.81 0.67 0.30 1.25 4.39 -1.36 -2.71 114.58 116.31 1sgo h GLU 36 Ca -0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1sgo h GLU 36 Cb 0.72 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1sgo h GLU 36 CO -0.07 0.44 -0.15 0.00 -1.16 0.00 0.00 179.01 178.08 1sgo h ALA 37 N 1.65 -0.41 -0.78 3.43 0.00 -0.40 -0.94 119.26 121.81 1sgo h ALA 37 Ca 0.25 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1sgo h ALA 37 Cb 0.13 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1sgo h ALA 37 CO -0.07 -0.64 0.51 1.49 0.00 0.00 0.00 179.25 180.54 1sgo h GLU 38 N -0.58 0.84 0.01 0.00 4.57 -0.52 0.17 114.58 119.07 1sgo h GLU 38 Ca -0.04 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1sgo h GLU 38 Cb 0.42 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1sgo h GLU 38 CO 0.07 0.56 -0.00 0.00 -1.18 0.00 0.00 179.01 178.45 1sgo h ALA 39 N 1.57 -0.01 -0.48 2.92 0.00 -1.30 -2.74 119.26 119.22 1sgo h ALA 39 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sgo h ALA 39 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sgo h ALA 39 CO -0.11 -0.40 0.32 0.28 0.00 0.00 0.00 179.25 179.34 1sgo h VAL 40 N -0.22 1.13 -0.41 0.00 2.07 -0.03 -0.76 116.25 118.03 1sgo h VAL 40 Ca -0.00 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1sgo h VAL 40 Cb 0.22 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1sgo h VAL 40 CO 0.00 0.12 0.27 0.58 0.02 0.00 0.00 177.57 178.57 1sgo h VAL 41 N 0.65 1.03 0.00 2.57 2.07 -0.70 -0.37 116.25 121.50 1sgo h VAL 41 Ca 0.18 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 1sgo h VAL 41 Cb -0.07 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1sgo h VAL 41 CO -0.04 0.08 -0.88 -1.13 0.02 0.00 0.00 177.57 175.62 1sgo h ASN 42 N 0.44 0.00 0.02 0.57 -0.73 -1.13 -3.20 115.58 111.55 1sgo h ASN 42 Ca 0.17 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.34 1sgo h ASN 42 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.71 1sgo h ASN 42 CO -0.04 0.42 -0.01 -0.78 -0.37 0.00 0.00 177.43 176.65 1sgo h ASP 43 N 0.00 -0.02 -0.09 1.15 3.58 0.17 -3.35 116.42 117.85 1sgo h ASP 43 Ca -0.06 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1sgo h ASP 43 Cb 1.38 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1sgo h ASP 43 CO 0.04 0.57 0.00 1.33 -2.88 0.00 0.00 179.24 178.30 1sgo n VAL 44 N -4.77 0.11 -0.27 2.25 0.24 -0.28 -3.83 118.33 111.79 1sgo n VAL 44 Ca -0.02 -0.20 0.06 0.00 -2.04 0.00 0.00 64.34 62.14 1sgo n VAL 44 Cb 0.11 0.10 0.29 0.00 -1.47 0.00 0.00 33.84 32.87 1sgo n VAL 44 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1sgo h LEU 45 N 1.30 0.80 -1.35 1.34 5.85 -1.69 -0.40 115.31 121.16 1sgo h LEU 45 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 1sgo h LEU 45 Cb 0.28 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1sgo h LEU 45 CO 0.00 0.49 -0.22 0.15 -0.34 0.00 0.00 178.44 178.53 1sgo h PHE 46 N 0.90 0.00 -0.00 1.25 3.57 -1.83 -2.59 116.94 118.24 1sgo h PHE 46 Ca 0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1sgo h PHE 46 Cb 0.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1sgo h PHE 46 CO -0.00 0.22 -0.46 0.00 -2.23 0.00 0.00 178.31 175.84 1sgo n ALA 47 N -2.26 3.46 -3.60 2.41 0.00 -0.20 -4.88 120.51 115.44 1sgo n ALA 47 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1sgo n ALA 47 Cb 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1sgo n ALA 47 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1sgo n VAL 48 N -1.38 0.00 -0.14 0.00 0.24 -0.93 -4.34 118.33 111.78 1sgo n VAL 48 Ca 0.07 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.08 1sgo n VAL 48 Cb 0.34 -0.13 -0.10 0.00 -1.47 0.00 0.00 33.84 32.47 1sgo n VAL 48 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1sgo n ASN 49 N -0.93 1.92 -4.12 -1.34 5.15 0.51 -4.61 115.26 111.85 1sgo n ASN 49 Ca 0.00 0.29 -0.08 0.00 -0.60 0.00 0.00 54.58 54.19 1sgo n ASN 49 Cb 0.00 -0.76 -0.10 0.00 -0.53 0.00 0.00 39.78 38.39 1sgo n ASN 49 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1sgo s ASN 50 N -7.35 0.60 -0.29 1.20 0.02 -0.14 -5.03 114.94 103.95 1sgo s ASN 50 Ca -0.38 -1.04 -0.16 0.00 -1.02 0.00 0.00 52.86 50.26 1sgo s ASN 50 Cb 0.14 0.19 0.15 0.00 0.02 0.00 0.00 41.25 41.76 1sgo s ASN 50 CO 0.49 -0.60 1.00 -0.32 0.02 0.00 0.00 177.10 177.69 1sgo s MET 51 N -3.93 0.35 -0.18 -0.60 1.75 -1.26 -0.30 119.30 115.14 1sgo s MET 51 Ca 0.11 0.61 -0.27 0.00 -1.25 0.00 0.00 55.69 54.89 1sgo s MET 51 Cb 0.07 0.07 0.07 0.00 2.84 0.00 0.00 34.83 37.88 1sgo s MET 51 CO -0.07 -0.07 0.68 0.12 -0.65 0.00 0.00 175.02 175.03 1sgo s PHE 52 N 1.33 -0.72 0.73 4.11 5.36 0.14 -4.99 117.98 123.94 1sgo s PHE 52 Ca -0.09 1.57 -0.12 0.00 -0.96 0.00 0.00 56.93 57.32 1sgo s PHE 52 Cb -0.04 0.31 0.04 0.00 -0.34 0.00 0.00 43.02 43.00 1sgo s PHE 52 CO -0.14 -0.46 1.10 0.14 -1.46 0.00 0.00 175.22 174.40 1sgo s VAL 53 N -0.24 3.25 0.71 3.12 -7.23 -1.26 -0.31 120.40 118.43 1sgo s VAL 53 Ca -0.04 0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.49 1sgo s VAL 53 Cb -0.03 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1sgo s VAL 53 CO 0.04 -0.46 1.09 -0.44 -0.31 0.00 0.00 175.10 175.02 1sgo s SER 54 N -3.04 5.44 0.00 4.85 0.01 -0.33 -4.66 113.70 115.96 1sgo s SER 54 Ca 0.64 1.18 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1sgo s SER 54 Cb -0.19 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1sgo s SER 54 CO 0.50 -1.35 0.00 0.29 0.41 0.00 0.00 173.24 173.09 1sgo n LYS 55 N -3.02 2.88 0.00 12.44 5.02 -1.26 -4.64 118.16 129.58 1sgo n LYS 55 Ca 0.07 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 1sgo n LYS 55 Cb 0.57 -0.67 0.17 0.00 -0.02 0.00 0.00 35.03 35.07 1sgo n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1sgo n SER 56 N -0.80 1.42 0.00 4.39 2.88 -1.26 -4.87 113.62 115.38 1sgo n SER 56 Ca 0.00 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.41 1sgo n SER 56 Cb 0.00 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1sgo n SER 56 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sgo n LEU 57 N -0.50 0.00 -3.65 2.46 4.77 -1.26 -5.10 117.00 113.72 1sgo n LEU 57 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1sgo n LEU 57 Cb 0.40 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1sgo n LEU 57 CO 0.29 0.00 0.14 0.00 -1.33 0.00 0.00 177.39 176.49 1sgo s ARG 58 N 4.32 1.01 -0.44 3.23 1.70 -1.26 -5.06 118.95 122.45 1sgo s ARG 58 Ca 0.00 -0.63 0.06 0.00 -0.47 0.00 0.00 55.73 54.69 1sgo s ARG 58 Cb 0.00 0.45 0.18 0.00 -0.57 0.00 0.00 34.95 35.00 1sgo s ARG 58 CO 0.00 -0.38 0.56 0.00 -1.08 0.00 0.00 175.30 174.40 1sgo s ALA 60 N 1.18 0.12 0.00 0.00 0.00 -0.63 -4.45 121.76 117.98 1sgo s ALA 60 Ca 0.23 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1sgo s ALA 60 Cb -0.05 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1sgo s ALA 60 CO -0.07 -1.57 0.00 -0.25 0.00 0.00 0.00 175.76 173.88 1sgo n ASP 61 N 5.28 0.00 -0.04 0.00 8.00 -1.26 -3.78 116.55 124.76 1sgo n ASP 61 Ca -0.05 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.40 1sgo n ASP 61 Cb 0.45 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.41 1sgo n ASP 61 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sgo n ASP 62 N 3.39 0.44 -4.05 -2.24 5.75 -1.26 -2.16 116.55 116.42 1sgo n ASP 62 Ca 0.00 0.20 -0.13 0.00 -0.01 0.00 0.00 54.79 54.85 1sgo n ASP 62 Cb 0.00 0.61 -0.12 0.00 -1.03 0.00 0.00 41.12 40.58 1sgo n ASP 62 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sgo s VAL 63 N -2.72 0.50 -0.19 2.12 0.11 -1.25 -4.26 120.40 114.72 1sgo s VAL 63 Ca -0.07 -1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 57.91 1sgo s VAL 63 Cb 0.08 -0.57 0.07 0.00 -1.53 0.00 0.00 36.38 34.43 1sgo s VAL 63 CO 0.83 -0.37 0.12 0.00 -3.33 0.00 0.00 175.10 172.35 1sgo s ALA 64 N -1.32 0.31 -0.26 1.54 0.00 -0.20 -1.60 121.76 120.22 1sgo s ALA 64 Ca -0.10 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.37 1sgo s ALA 64 Cb -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1sgo s ALA 64 CO 0.00 -1.22 0.76 0.71 0.00 0.00 0.00 175.76 176.02 1sgo s TYR 65 N 2.17 3.28 -0.00 0.00 2.02 -0.79 -0.64 117.35 123.39 1sgo s TYR 65 Ca 0.03 0.98 0.05 0.00 -0.37 0.00 0.00 57.07 57.77 1sgo s TYR 65 Cb -0.16 -3.01 -0.01 0.00 -0.40 0.00 0.00 41.96 38.37 1sgo s TYR 65 CO -0.12 -0.41 -0.16 0.42 -1.57 0.00 0.00 175.55 173.72 1sgo s ILE 66 N 2.76 1.24 -0.29 2.71 1.01 -0.49 -1.19 121.20 126.95 1sgo s ILE 66 Ca 0.32 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1sgo s ILE 66 Cb -0.15 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1sgo s ILE 66 CO 0.08 0.29 0.19 0.20 0.00 0.00 0.00 174.94 175.71 1sgo s ASN 67 N -0.53 5.97 -0.07 3.58 0.01 0.58 -0.26 114.94 124.22 1sgo s ASN 67 Ca 0.06 -0.11 0.04 0.00 -0.71 0.00 0.00 52.86 52.14 1sgo s ASN 67 Cb -0.06 -2.11 -0.01 0.00 0.41 0.00 0.00 41.25 39.47 1sgo s ASN 67 CO -0.00 -0.09 -0.21 0.54 -1.51 0.00 0.00 177.10 175.83 1sgo s VAL 68 N 1.74 2.40 -0.40 1.60 0.11 0.46 -0.69 120.40 125.63 1sgo s VAL 68 Ca 0.07 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1sgo s VAL 68 Cb -0.16 -1.91 0.11 0.00 -1.53 0.00 0.00 36.38 32.88 1sgo s VAL 68 CO 0.10 0.57 0.16 -0.70 -3.33 0.00 0.00 175.10 171.90 1sgo s GLU 69 N -0.13 1.82 1.27 1.54 2.12 0.59 -0.75 118.70 125.15 1sgo s GLU 69 Ca -0.04 -1.95 -0.18 0.00 0.36 0.00 0.00 54.97 53.16 1sgo s GLU 69 Cb -0.14 -3.42 0.31 0.00 0.26 0.00 0.00 34.13 31.15 1sgo s GLU 69 CO 0.04 -1.03 1.01 0.95 -0.54 0.00 0.00 175.26 175.69 1sgo s THR 70 N 0.85 1.61 -1.15 -1.70 -4.23 -1.18 -0.36 115.64 109.49 1sgo s THR 70 Ca 0.11 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.78 1sgo s THR 70 Cb -0.21 -2.18 0.19 0.00 1.34 0.00 0.00 72.50 71.64 1sgo s THR 70 CO -0.05 0.00 1.52 0.29 -0.54 0.00 0.00 174.62 175.84 1sgo n LYS 71 N -5.13 0.08 0.00 3.99 5.02 -1.26 -0.38 118.16 120.48 1sgo n LYS 71 Ca 0.08 0.18 0.14 0.00 -2.02 0.00 0.00 58.31 56.70 1sgo n LYS 71 Cb 0.58 -1.50 0.62 0.00 -0.02 0.00 0.00 35.03 34.71 1sgo n LYS 71 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1sgo n GLU 72 N -1.43 0.16 -1.07 1.97 4.07 -1.26 -4.89 120.64 118.18 1sgo n GLU 72 Ca 0.05 -0.02 -0.02 0.00 -0.06 0.00 0.00 57.16 57.11 1sgo n GLU 72 Cb 0.17 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.04 1sgo n GLU 72 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1sgo n ARG 73 N -1.41 -1.46 -3.02 5.31 1.74 0.49 -4.96 116.66 113.35 1sgo n ARG 73 Ca 0.09 0.48 -0.41 0.00 -0.77 0.00 0.00 57.85 57.25 1sgo n ARG 73 Cb 0.31 -4.63 -0.05 0.00 -1.02 0.00 0.00 32.46 27.07 1sgo n ARG 73 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1sgo s ASN 74 N -2.13 6.80 -0.20 0.55 0.01 -1.26 -4.85 114.94 113.86 1sgo s ASN 74 Ca 0.00 0.98 -0.11 0.00 -0.71 0.00 0.00 52.86 53.02 1sgo s ASN 74 Cb 0.00 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1sgo s ASN 74 CO 0.00 -0.32 0.18 -0.13 -1.51 0.00 0.00 177.10 175.32 1sgo s ARG 75 N 2.00 4.18 0.04 -0.60 0.52 -1.26 -3.12 118.95 120.72 1sgo s ARG 75 Ca 0.33 -0.14 0.06 0.00 -0.52 0.00 0.00 55.73 55.45 1sgo s ARG 75 Cb -0.16 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 1sgo s ARG 75 CO 0.11 0.23 -0.17 0.71 0.02 0.00 0.00 175.30 176.20 1sgo s TYR 76 N 0.56 1.48 -0.20 -0.53 2.02 0.07 -3.19 117.35 117.55 1sgo s TYR 76 Ca 0.10 -0.36 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1sgo s TYR 76 Cb -0.12 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 1sgo s TYR 76 CO 0.01 0.06 0.08 0.00 -1.57 0.00 0.00 175.55 174.13 1sgo s LEU 78 N 0.69 2.99 -0.70 0.00 1.43 0.64 -1.66 118.68 122.06 1sgo s LEU 78 Ca 0.04 -0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 1sgo s LEU 78 Cb -0.13 -1.66 0.14 0.00 0.03 0.00 0.00 46.19 44.57 1sgo s LEU 78 CO 0.02 0.28 0.79 -0.70 0.23 0.00 0.00 176.35 176.97 1sgo s GLU 79 N -0.35 3.27 -0.31 1.70 2.12 0.94 -1.40 118.70 124.67 1sgo s GLU 79 Ca 0.04 -1.68 -0.29 0.00 0.36 0.00 0.00 54.97 53.40 1sgo s GLU 79 Cb -0.12 -4.43 0.01 0.00 0.26 0.00 0.00 34.13 29.85 1sgo s GLU 79 CO 0.02 -1.52 1.11 -1.17 -0.54 0.00 0.00 175.26 173.16 1sgo s LEU 80 N 2.06 3.94 0.36 2.70 2.96 0.18 -2.43 118.68 128.45 1sgo s LEU 80 Ca 0.16 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 1sgo s LEU 80 Cb -0.18 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1sgo s LEU 80 CO -0.00 -0.90 0.05 0.42 -1.32 0.00 0.00 176.35 174.60 1sgo s THR 81 N 3.73 1.27 -1.03 3.68 -4.23 -0.83 -1.04 115.64 117.20 1sgo s THR 81 Ca 0.47 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 1sgo s THR 81 Cb -0.13 -2.73 0.20 0.00 1.34 0.00 0.00 72.50 71.18 1sgo s THR 81 CO 0.16 0.00 1.73 -1.84 -0.54 0.00 0.00 174.62 174.14 1sgo n GLU 82 N -0.81 0.02 0.11 3.99 -0.00 -1.26 -2.13 120.64 120.56 1sgo n GLU 82 Ca -0.04 0.10 0.08 0.00 -0.00 0.00 0.00 57.16 57.30 1sgo n GLU 82 Cb 0.66 -1.50 0.01 0.00 -0.00 0.00 0.00 31.44 30.61 1sgo n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sgo h ALA 83 N 2.81 0.64 0.00 -1.84 0.00 -1.95 -3.50 119.26 115.41 1sgo h ALA 83 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1sgo h ALA 83 Cb 0.38 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sgo h ALA 83 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1sgo n GLY 84 N 1.23 -0.00 3.67 0.00 0.00 -0.91 -4.90 105.19 104.27 1sgo n GLY 84 Ca -0.02 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1sgo n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgo s LEU 85 N 0.00 4.05 -0.02 0.99 1.02 -0.94 -1.96 118.68 121.82 1sgo s LEU 85 Ca 0.00 0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.33 1sgo s LEU 85 Cb 0.00 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.14 1sgo s LEU 85 CO 0.00 0.12 -0.18 -0.75 0.02 0.00 0.00 176.35 175.57 1sgo s LYS 86 N 0.71 1.55 0.24 1.70 2.20 -1.02 -0.92 119.74 124.19 1sgo s LYS 86 Ca 0.07 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 1sgo s LYS 86 Cb -0.13 -1.44 -0.09 0.00 -1.51 0.00 0.00 37.83 34.66 1sgo s LYS 86 CO 0.01 0.34 0.97 0.08 -0.36 0.00 0.00 175.35 176.40 1sgo s VAL 87 N -0.28 3.99 0.00 4.02 1.01 -1.26 -0.04 120.40 127.83 1sgo s VAL 87 Ca 0.04 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1sgo s VAL 87 Cb -0.08 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1sgo s VAL 87 CO 0.00 0.47 0.00 1.33 0.00 0.00 0.00 175.10 176.90 1sgo n VAL 88 N 1.51 0.00 -3.88 2.92 0.24 -0.66 -4.54 118.33 113.92 1sgo n VAL 88 Ca -0.02 -0.19 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 1sgo n VAL 88 Cb 0.47 0.68 0.01 0.00 -1.47 0.00 0.00 33.84 33.54 1sgo n VAL 88 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sgo n GLY 89 N 1.88 0.56 1.46 7.63 0.00 -1.21 -0.40 105.19 115.10 1sgo n GLY 89 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1sgo n GLY 89 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sgo n TYR 90 N -0.66 1.37 -2.94 1.61 4.01 -1.26 -2.39 117.16 116.90 1sgo n TYR 90 Ca 0.00 -1.82 0.00 0.00 -0.16 0.00 0.00 57.90 55.92 1sgo n TYR 90 Cb 0.48 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1sgo n TYR 90 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sgo n ALA 91 N -0.81 0.00 -2.72 -0.72 0.00 -1.19 -4.66 120.51 110.41 1sgo n ALA 91 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.35 1sgo n ALA 91 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.24 1sgo n ALA 91 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sgo s PHE 92 N -4.98 3.50 -1.24 0.00 0.08 -1.26 -3.38 117.98 110.69 1sgo s PHE 92 Ca 0.00 0.88 -0.00 0.00 0.12 0.00 0.00 56.93 57.93 1sgo s PHE 92 Cb 0.00 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1sgo s PHE 92 CO 0.00 0.15 0.88 -0.25 -0.10 0.00 0.00 175.22 175.90 1sgo n ASP 93 N 3.76 -1.73 -4.07 1.36 9.92 -1.26 -5.00 116.55 119.53 1sgo n ASP 93 Ca -0.07 -0.70 -0.26 0.00 -0.53 0.00 0.00 54.79 53.23 1sgo n ASP 93 Cb 0.51 -4.70 -0.17 0.00 -0.64 0.00 0.00 41.12 36.12 1sgo n ASP 93 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1sgo s GLN 94 N -5.61 1.97 -0.21 -1.24 0.74 -1.26 -4.91 119.66 109.15 1sgo s GLN 94 Ca 0.01 -0.52 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 1sgo s GLN 94 Cb -0.00 -1.59 0.06 0.00 1.10 0.00 0.00 33.01 32.57 1sgo s GLN 94 CO 0.76 0.08 0.00 0.08 -0.55 0.00 0.00 175.29 175.66 1sgo s VAL 95 N 0.55 0.89 -0.17 1.34 1.01 -1.26 -3.48 120.40 119.28 1sgo s VAL 95 Ca -0.15 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1sgo s VAL 95 Cb -0.16 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1sgo s VAL 95 CO 0.05 -0.15 0.18 -0.62 0.00 0.00 0.00 175.10 174.55 1sgo s ASP 96 N 1.69 6.30 0.00 3.32 2.15 0.46 -4.98 116.67 125.61 1sgo s ASP 96 Ca -0.03 0.35 0.29 0.00 0.43 0.00 0.00 52.55 53.59 1sgo s ASP 96 Cb -0.18 -2.11 1.22 0.00 -0.30 0.00 0.00 42.92 41.55 1sgo s ASP 96 CO -0.07 0.20 1.91 -0.90 -0.17 0.00 0.00 175.17 176.13 1sgo n ASP 97 N 3.25 0.05 0.12 -0.34 5.75 -1.26 -3.02 116.55 121.09 1sgo n ASP 97 Ca -0.16 0.35 0.08 0.00 -0.01 0.00 0.00 54.79 55.05 1sgo n ASP 97 Cb 0.52 -0.41 0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1sgo n ASP 97 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1sgo h HIS 98 N 0.01 0.00 -3.03 2.11 3.86 -1.95 -3.44 115.15 112.71 1sgo h HIS 98 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 1sgo h HIS 98 Cb 0.47 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 1sgo h HIS 98 CO 0.00 0.21 1.01 -0.51 0.86 0.00 0.00 177.93 179.51 1sgo s LEU 99 N -5.81 3.89 -0.28 2.43 1.43 -1.17 -4.88 118.68 114.29 1sgo s LEU 99 Ca 0.01 1.33 0.12 0.00 -1.03 0.00 0.00 54.13 54.57 1sgo s LEU 99 Cb 0.08 -3.54 0.48 0.00 0.03 0.00 0.00 46.19 43.24 1sgo s LEU 99 CO 0.76 -1.13 1.16 0.00 0.23 0.00 0.00 176.35 177.38 1sgo n GLN 100 N 7.40 3.01 -1.67 1.70 6.02 -1.26 -4.89 117.38 127.69 1sgo n GLN 100 Ca 0.16 -3.96 -0.45 0.00 -0.01 0.00 0.00 57.00 52.74 1sgo n GLN 100 Cb 0.46 -2.06 -0.02 0.00 1.02 0.00 0.00 30.24 29.63 1sgo n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1sgo n THR 101 N -0.67 1.08 -1.68 5.09 -2.24 -1.26 -4.86 114.28 109.74 1sgo n THR 101 Ca 0.32 -0.27 -0.45 0.00 -2.27 0.00 0.00 64.05 61.38 1sgo n THR 101 Cb 0.91 -1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 1sgo n THR 101 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1sgo n PRO 102 N 1.83 2.47 -1.67 -0.78 -0.02 -1.26 -4.60 135.00 130.97 1sgo n PRO 102 Ca 0.11 0.90 -0.50 0.00 -2.02 0.00 0.00 63.50 61.99 1sgo n PRO 102 Cb 0.32 -2.76 -0.05 0.00 -0.02 0.00 0.00 33.50 30.98 1sgo n PRO 102 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1sgo n TYR 103 N 5.81 2.16 -2.74 6.00 4.01 -1.26 -4.85 117.16 126.29 1sgo n TYR 103 Ca 0.20 0.25 -0.33 0.00 -0.16 0.00 0.00 57.90 57.85 1sgo n TYR 103 Cb 0.33 -2.55 -0.06 0.00 -0.31 0.00 0.00 39.34 36.75 1sgo n TYR 103 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1sgo s HIS 104 N 2.72 3.27 0.07 -0.72 3.76 -0.10 -4.77 115.29 119.51 1sgo s HIS 104 Ca 0.89 1.59 -0.28 0.00 -0.15 0.00 0.00 55.06 57.12 1sgo s HIS 104 Cb -0.79 -2.88 -0.13 0.00 1.11 0.00 0.00 32.58 29.89 1sgo s HIS 104 CO 0.50 -0.25 1.43 1.49 -0.85 0.00 0.00 174.74 177.07 1sgo h GLU 105 N 1.77 -0.73 -5.03 1.40 4.57 -1.89 -2.49 114.58 112.17 1sgo h GLU 105 Ca -0.49 0.05 -0.56 0.00 -1.18 0.00 0.00 59.36 57.18 1sgo h GLU 105 Cb 1.19 0.17 -0.13 0.00 -0.16 0.00 0.00 28.75 29.81 1sgo h GLU 105 CO 0.61 -0.49 -0.51 0.95 -1.18 0.00 0.00 179.01 178.39 1sgo s THR 106 N -5.21 0.55 0.36 0.32 -4.23 -1.26 -4.64 115.64 101.53 1sgo s THR 106 Ca -0.14 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.59 1sgo s THR 106 Cb 0.04 -2.33 0.21 0.00 1.34 0.00 0.00 72.50 71.76 1sgo s THR 106 CO 0.47 0.00 1.95 1.62 -0.54 0.00 0.00 174.62 178.12 1sgo h VAL 107 N 1.77 0.82 -0.01 2.29 3.04 -1.99 -2.21 116.25 119.97 1sgo h VAL 107 Ca -0.35 -0.86 -0.01 0.00 -1.01 0.00 0.00 66.70 64.48 1sgo h VAL 107 Cb 1.27 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 1sgo h VAL 107 CO 0.55 0.21 -0.02 1.88 -1.01 0.00 0.00 177.57 179.19 1sgo h TYR 108 N 0.00 0.03 0.00 3.17 0.05 -1.98 0.15 116.97 118.39 1sgo h TYR 108 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1sgo h TYR 108 Cb 0.50 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1sgo h TYR 108 CO 0.00 0.63 0.00 -1.13 -1.05 0.00 0.00 178.16 176.61 1sgo n SER 109 N -4.77 0.00 -0.09 3.88 3.41 -1.19 -1.40 113.62 113.45 1sgo n SER 109 Ca -0.09 -0.55 -0.22 0.00 -0.26 0.00 0.00 58.87 57.75 1sgo n SER 109 Cb 0.32 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 1sgo n SER 109 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sgo n LEU 110 N -1.09 2.47 0.17 1.04 7.94 -0.84 -4.40 117.00 122.29 1sgo n LEU 110 Ca 0.16 0.16 0.13 0.00 -1.11 0.00 0.00 56.01 55.35 1sgo n LEU 110 Cb 0.12 -0.95 0.47 0.00 0.53 0.00 0.00 43.42 43.58 1sgo n LEU 110 CO 0.15 0.72 0.89 0.25 -1.11 0.00 0.00 177.39 178.30 1sgo h LEU 111 N -0.39 0.00 -0.32 -1.96 5.85 -0.35 -2.28 115.31 115.86 1sgo h LEU 111 Ca -0.53 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1sgo h LEU 111 Cb 1.77 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 1sgo h LEU 111 CO -0.15 0.00 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.12 1sgo h ASP 112 N 0.00 0.00 1.23 1.25 1.82 -1.45 0.11 116.42 119.38 1sgo h ASP 112 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1sgo h ASP 112 Cb 0.59 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 1sgo h ASP 112 CO 0.00 0.05 -0.77 0.74 -1.61 0.00 0.00 179.24 177.65 1sgo h THR 113 N 0.00 0.02 0.00 2.25 2.02 -1.62 -3.38 112.91 112.20 1sgo h THR 113 Ca -0.00 -1.03 -0.34 0.00 0.77 0.00 0.00 66.41 65.81 1sgo h THR 113 Cb 0.93 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 1sgo h THR 113 CO 0.01 0.01 -2.29 0.18 0.37 0.00 0.00 175.52 173.80 1sgo n LEU 114 N -2.79 2.95 -3.60 2.58 4.77 -0.92 -4.91 117.00 115.09 1sgo n LEU 114 Ca 0.01 -0.11 -0.27 0.00 -0.03 0.00 0.00 56.01 55.61 1sgo n LEU 114 Cb 0.55 -0.79 -0.16 0.00 -2.33 0.00 0.00 43.42 40.69 1sgo n LEU 114 CO 0.39 0.87 -0.33 -0.44 -1.33 0.00 0.00 177.39 176.55 1sgo s SER 115 N -6.22 2.76 0.21 -1.43 0.01 0.33 -4.78 113.70 104.58 1sgo s SER 115 Ca -0.31 -0.84 0.18 0.00 1.31 0.00 0.00 55.95 56.29 1sgo s SER 115 Cb 0.08 -0.31 0.85 0.00 0.21 0.00 0.00 66.02 66.85 1sgo s SER 115 CO 0.52 -0.37 1.55 -2.65 0.41 0.00 0.00 173.24 172.69 1sgo n PRO 116 N 5.25 0.12 0.12 12.44 -0.02 -1.26 -1.61 135.00 150.04 1sgo n PRO 116 Ca -0.07 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1sgo n PRO 116 Cb 0.47 -1.80 0.48 0.00 -0.02 0.00 0.00 33.50 32.63 1sgo n PRO 116 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sgo n ALA 117 N -1.70 1.71 -0.20 3.55 0.00 -1.26 -2.51 120.51 120.10 1sgo n ALA 117 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1sgo n ALA 117 Cb 0.11 -1.39 0.07 0.00 0.00 0.00 0.00 19.45 18.25 1sgo n ALA 117 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sgo h TYR 118 N 0.00 0.56 0.00 0.00 3.20 -1.50 0.28 116.97 119.52 1sgo h TYR 118 Ca 0.00 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.68 1sgo h TYR 118 Cb 0.39 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1sgo h TYR 118 CO 0.00 0.27 -0.90 0.00 -1.64 0.00 0.00 178.16 175.88 1sgo h ARG 119 N 0.58 0.28 -0.11 1.82 3.08 -1.72 -2.99 114.38 115.32 1sgo h ARG 119 Ca 0.26 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1sgo h ARG 119 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1sgo h ARG 119 CO -0.17 1.02 0.05 1.49 -1.07 0.00 0.00 179.97 181.28 1sgo h GLU 120 N 0.16 0.17 -1.00 0.04 4.81 -1.40 -1.89 114.58 115.46 1sgo h GLU 120 Ca -0.06 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1sgo h GLU 120 Cb 1.54 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.84 1sgo h GLU 120 CO 0.15 0.26 0.66 0.00 -0.73 0.00 0.00 179.01 179.34 1sgo h ALA 121 N 0.90 1.29 -0.36 2.92 0.00 -0.50 -0.96 119.26 122.55 1sgo h ALA 121 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sgo h ALA 121 Cb 0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1sgo h ALA 121 CO -0.00 0.62 0.11 0.35 0.00 0.00 0.00 179.25 180.33 1sgo h PHE 122 N 1.32 0.57 -0.69 0.00 3.57 -1.37 -0.65 116.94 119.69 1sgo h PHE 122 Ca 0.38 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 1sgo h PHE 122 Cb -0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1sgo h PHE 122 CO -0.00 0.55 0.21 0.78 -2.23 0.00 0.00 178.31 177.62 1sgo h GLY 123 N 0.42 1.15 2.00 2.40 0.00 -0.81 -2.45 103.07 105.79 1sgo h GLY 123 Ca 0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1sgo h GLY 123 CO -0.00 0.63 -0.23 3.43 0.00 0.00 0.00 176.54 180.37 1sgo h ASN 124 N 1.03 0.00 0.05 0.19 2.35 -1.03 -2.81 115.58 115.35 1sgo h ASN 124 Ca 0.22 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.90 1sgo h ASN 124 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1sgo h ASN 124 CO -0.01 0.23 -0.22 0.00 -1.65 0.00 0.00 177.43 175.79 1sgo h ALA 125 N 1.77 1.31 -0.24 -0.83 0.00 -0.62 -0.69 119.26 119.96 1sgo h ALA 125 Ca -0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1sgo h ALA 125 Cb 0.89 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sgo h ALA 125 CO 0.03 0.46 -0.23 -0.07 0.00 0.00 0.00 179.25 179.44 1sgo h LEU 126 N 0.28 0.62 -0.12 0.00 -0.00 -1.37 -2.98 115.31 111.73 1sgo h LEU 126 Ca 0.05 -0.47 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1sgo h LEU 126 Cb 0.55 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1sgo h LEU 126 CO 0.04 0.96 0.00 0.00 -0.00 0.00 0.00 178.44 179.44 1sgo n LEU 127 N -4.37 0.43 0.30 1.67 -0.00 -1.12 -2.64 117.00 111.26 1sgo n LEU 127 Ca -0.05 0.56 0.20 0.00 -0.00 0.00 0.00 56.01 56.72 1sgo n LEU 127 Cb 0.43 -0.44 0.95 0.00 -0.00 0.00 0.00 43.42 44.36 1sgo n LEU 127 CO 0.43 -0.20 1.09 -0.61 -0.00 0.00 0.00 177.39 178.09 1sgo h GLN 128 N 0.00 0.00 0.00 1.47 4.15 -0.96 -0.93 115.11 118.85 1sgo h GLN 128 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1sgo h GLN 128 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1sgo h GLN 128 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.44 1sgo n ARG 129 N -3.04 0.15 -0.12 1.69 3.00 -1.08 -1.63 116.66 115.62 1sgo n ARG 129 Ca -0.01 0.44 -0.12 0.00 -0.01 0.00 0.00 57.85 58.15 1sgo n ARG 129 Cb 0.18 -1.82 -0.03 0.00 0.00 0.00 0.00 32.46 30.79 1sgo n ARG 129 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1sgo h LEU 130 N 0.00 0.77 -0.54 0.55 3.38 -1.40 0.29 115.31 118.36 1sgo h LEU 130 Ca 0.00 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.41 1sgo h LEU 130 Cb 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1sgo h LEU 130 CO 0.00 1.00 -0.48 -0.33 0.09 0.00 0.00 178.44 178.72 1sgo h GLU 131 N 0.54 0.62 -0.13 1.13 4.39 -1.47 -2.52 114.58 117.13 1sgo h GLU 131 Ca 0.08 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 1sgo h GLU 131 Cb 0.71 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1sgo h GLU 131 CO 0.05 0.96 -0.11 0.00 -1.16 0.00 0.00 179.01 178.75 1sgo h ALA 132 N 0.98 1.57 -0.25 3.43 0.00 -1.20 0.15 119.26 123.93 1sgo h ALA 132 Ca 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1sgo h ALA 132 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1sgo h ALA 132 CO 0.10 0.31 -0.07 1.25 0.00 0.00 0.00 179.25 180.84 1sgo h LEU 133 N 0.20 0.50 -1.26 0.00 6.46 -0.67 -0.32 115.31 120.21 1sgo h LEU 133 Ca 0.04 -0.37 -0.06 0.00 -0.12 0.00 0.00 57.88 57.37 1sgo h LEU 133 Cb 0.33 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 1sgo h LEU 133 CO 0.02 0.76 -0.11 0.11 -0.62 0.00 0.00 178.44 178.60 1sgo h LYS 134 N 0.23 0.37 -0.65 1.25 1.57 -1.00 -2.28 116.57 116.06 1sgo h LYS 134 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1sgo h LYS 134 Cb 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1sgo h LYS 134 CO 0.03 0.49 0.00 0.54 -0.57 0.00 0.00 179.45 179.94 1sgo n ARG 135 N -4.25 3.18 -0.07 3.15 1.74 -0.01 -4.23 116.66 116.18 1sgo n ARG 135 Ca 0.00 -2.52 -0.17 0.00 -0.77 0.00 0.00 57.85 54.39 1sgo n ARG 135 Cb 0.28 -1.74 -0.13 0.00 -1.02 0.00 0.00 32.46 29.86 1sgo n ARG 135 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1sgo h ASP 136 N 3.76 0.04 -3.88 0.55 3.58 -0.43 -3.47 116.42 116.58 1sgo h ASP 136 Ca 0.00 -0.85 -0.48 0.00 0.42 0.00 0.00 57.03 56.11 1sgo h ASP 136 Cb 1.20 -0.01 0.06 0.00 1.72 0.00 0.00 39.33 42.29 1sgo h ASP 136 CO 0.15 1.19 0.24 -0.83 -2.88 0.00 0.00 179.24 177.10 1sgo s GLY 137 N -4.44 1.61 -0.11 -0.78 0.00 -1.25 -5.09 107.32 97.26 1sgo s GLY 137 Ca -0.21 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1sgo s GLY 137 CO 0.67 -0.29 -0.18 1.20 0.00 0.00 0.00 173.10 174.50 1sgo s GLN 138 N -5.08 2.47 0.00 2.90 -0.21 -1.26 -5.02 119.66 113.45 1sgo s GLN 138 Ca 0.55 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1sgo s GLN 138 Cb -0.11 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.90 1sgo s GLN 138 CO 0.47 0.01 0.00 0.43 -2.12 0.00 0.00 175.29 174.08