#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1weu s SER 2 N 0.00 -0.25 -0.10 1.61 0.15 -1.26 -5.19 113.70 108.67 1weu s SER 2 Ca 0.00 -0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 1weu s SER 2 Cb 0.00 0.27 0.11 0.00 -1.71 0.00 0.00 66.02 64.69 1weu s SER 2 CO 0.00 -0.44 0.93 -0.55 1.20 0.00 0.00 173.24 174.38 1weu s SER 3 N -2.34 -0.39 0.00 5.45 0.15 -1.26 -5.19 113.70 110.11 1weu s SER 3 Ca 0.07 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1weu s SER 3 Cb -0.01 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1weu s SER 3 CO -0.07 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1weu n GLY 4 N 0.40 4.06 3.85 9.45 0.00 -1.26 -5.19 105.19 116.52 1weu n GLY 4 Ca -0.10 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 1weu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 5 N -0.75 -0.02 0.13 1.61 0.15 -1.26 -5.19 113.70 108.37 1weu s SER 5 Ca 0.00 -0.73 -0.24 0.00 0.70 0.00 0.00 55.95 55.68 1weu s SER 5 Cb 0.00 0.57 0.08 0.00 -1.71 0.00 0.00 66.02 64.96 1weu s SER 5 CO 0.00 -1.12 1.11 -0.55 1.20 0.00 0.00 173.24 173.88 1weu s SER 6 N -3.29 0.01 0.00 5.45 0.15 -1.26 -5.20 113.70 109.56 1weu s SER 6 Ca 0.20 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1weu s SER 6 Cb -0.03 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1weu s SER 6 CO 0.06 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1weu n GLY 7 N -0.76 0.84 3.54 9.45 0.00 -1.26 -5.16 105.19 111.84 1weu n GLY 7 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1weu n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 8 N 0.00 -1.09 0.94 1.61 1.04 -1.26 -5.17 113.70 109.77 1weu s SER 8 Ca 0.00 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1weu s SER 8 Cb 0.00 2.18 0.00 0.00 0.10 0.00 0.00 66.02 68.30 1weu s SER 8 CO 0.00 -0.21 0.00 -0.81 0.98 0.00 0.00 173.24 173.20 1weu n PRO 9 N 5.38 -0.90 -3.67 4.02 -0.04 -1.26 -5.11 135.00 133.42 1weu n PRO 9 Ca -0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1weu n PRO 9 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 1weu n PRO 9 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1weu n GLU 10 N -1.42 0.62 -4.23 0.54 0.28 -1.26 -5.19 120.64 109.99 1weu n GLU 10 Ca 0.00 -2.44 -0.13 0.00 -0.16 0.00 0.00 57.16 54.43 1weu n GLU 10 Cb 0.00 2.36 -0.10 0.00 1.43 0.00 0.00 31.44 35.13 1weu n GLU 10 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1weu s TYR 11 N -3.18 1.16 -0.12 -1.84 2.02 -1.26 -5.10 117.35 109.03 1weu s TYR 11 Ca 0.25 -0.99 -0.13 0.00 -0.37 0.00 0.00 57.07 55.84 1weu s TYR 11 Cb -0.01 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 1weu s TYR 11 CO 0.18 -0.19 -0.25 0.41 -1.57 0.00 0.00 175.55 174.13 1weu n GLY 12 N -0.21 -0.48 2.92 0.71 0.00 -1.26 -5.05 105.19 101.83 1weu n GLY 12 Ca -0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1weu n GLY 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1weu n MET 13 N -3.99 -3.54 0.00 1.61 2.81 -1.26 -5.03 117.12 107.72 1weu n MET 13 Ca -0.10 0.69 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 1weu n MET 13 Cb 0.38 -5.08 0.00 0.00 -0.71 0.00 0.00 33.22 27.80 1weu n MET 13 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1weu n PRO 14 N -3.19 0.03 -4.18 0.03 -0.04 -1.26 -5.10 135.00 121.29 1weu n PRO 14 Ca -0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1weu n PRO 14 Cb 0.62 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.98 1weu n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1weu s SER 15 N -1.51 0.98 0.04 3.54 0.15 -1.26 -5.17 113.70 110.47 1weu s SER 15 Ca 0.00 -1.10 0.02 0.00 0.70 0.00 0.00 55.95 55.57 1weu s SER 15 Cb 0.00 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1weu s SER 15 CO 0.00 -0.56 -0.07 -0.69 1.20 0.00 0.00 173.24 173.12 1weu s VAL 16 N -3.73 0.50 0.25 4.45 1.01 -1.26 -5.17 120.40 116.45 1weu s VAL 16 Ca 0.18 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1weu s VAL 16 Cb 0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 1weu s VAL 16 CO -0.01 -0.42 0.21 0.42 0.00 0.00 0.00 175.10 175.30 1weu s THR 17 N -1.48 0.00 0.05 3.92 -4.23 -1.26 -5.18 115.64 107.46 1weu s THR 17 Ca -0.10 -1.95 -0.28 0.00 -1.18 0.00 0.00 61.69 58.18 1weu s THR 17 Cb -0.09 -2.49 0.09 0.00 1.34 0.00 0.00 72.50 71.35 1weu s THR 17 CO 0.00 0.00 1.06 0.12 -0.54 0.00 0.00 174.62 175.26 1weu s PHE 18 N -3.87 -0.14 -0.04 3.99 5.36 -1.26 -5.19 117.98 116.83 1weu s PHE 18 Ca 0.38 -0.06 -0.31 0.00 -0.96 0.00 0.00 56.93 55.98 1weu s PHE 18 Cb 0.05 0.59 0.12 0.00 -0.34 0.00 0.00 43.02 43.44 1weu s PHE 18 CO 0.17 -0.58 1.34 0.20 -1.46 0.00 0.00 175.22 174.90 1weu s GLY 19 N -2.82 -0.39 -0.29 13.12 0.00 -1.26 -5.17 107.32 110.51 1weu s GLY 19 Ca 0.11 0.64 -0.17 0.00 0.00 0.00 0.00 44.72 45.31 1weu s GLY 19 CO -0.02 1.34 1.08 -1.35 0.00 0.00 0.00 173.10 174.15 1weu s SER 20 N -3.17 -0.35 0.41 1.64 1.04 -1.26 -5.18 113.70 106.83 1weu s SER 20 Ca 0.18 0.57 0.07 0.00 0.48 0.00 0.00 55.95 57.25 1weu s SER 20 Cb 0.05 1.11 -0.06 0.00 0.10 0.00 0.00 66.02 67.22 1weu s SER 20 CO -0.04 -0.09 0.15 0.68 0.98 0.00 0.00 173.24 174.92 1weu s VAL 21 N 1.17 2.29 0.06 5.02 -7.23 -1.26 -5.15 120.40 115.30 1weu s VAL 21 Ca -0.08 -1.75 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 1weu s VAL 21 Cb -0.03 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1weu s VAL 21 CO -0.13 -0.01 -0.16 -1.38 -0.31 0.00 0.00 175.10 173.11 1weu s HIS 22 N -2.61 1.38 1.08 2.82 -3.43 -1.26 -5.15 115.29 108.11 1weu s HIS 22 Ca 0.40 -0.39 -0.15 0.00 -0.80 0.00 0.00 55.06 54.12 1weu s HIS 22 Cb 0.04 -0.80 0.23 0.00 -1.43 0.00 0.00 32.58 30.62 1weu s HIS 22 CO 0.22 0.07 1.10 -1.25 -2.00 0.00 0.00 174.74 172.88 1weu s PRO 23 N -1.42 -0.20 -0.35 -0.38 0.04 -1.26 -5.02 135.00 126.42 1weu s PRO 23 Ca 0.02 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.25 1weu s PRO 23 Cb -0.09 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1weu s PRO 23 CO 0.02 -3.10 0.19 -1.12 0.04 0.00 0.00 177.00 173.03 1weu s SER 24 N -3.60 5.70 -1.02 6.66 0.01 -1.26 -5.03 113.70 115.16 1weu s SER 24 Ca 0.67 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 57.01 1weu s SER 24 Cb -0.16 -2.03 0.14 0.00 0.21 0.00 0.00 66.02 64.19 1weu s SER 24 CO 0.57 -0.30 1.23 1.51 0.41 0.00 0.00 173.24 176.66 1weu s ASP 25 N 1.60 6.78 -0.29 2.44 -4.77 -1.26 -4.92 116.67 116.25 1weu s ASP 25 Ca 0.04 -2.36 -0.21 0.00 -3.30 0.00 0.00 52.55 46.72 1weu s ASP 25 Cb -0.18 -2.40 0.13 0.00 -1.09 0.00 0.00 42.92 39.38 1weu s ASP 25 CO 0.07 -0.96 1.01 0.54 0.70 0.00 0.00 175.17 176.54 1weu s VAL 26 N 2.31 0.00 0.29 2.11 0.11 -1.26 -5.15 120.40 118.81 1weu s VAL 26 Ca 0.36 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.12 1weu s VAL 26 Cb -0.04 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.71 1weu s VAL 26 CO -0.06 0.00 1.33 -0.76 -3.33 0.00 0.00 175.10 172.28 1weu s LEU 27 N 0.75 4.42 -0.53 2.54 1.02 -1.26 -4.98 118.68 120.64 1weu s LEU 27 Ca -0.02 2.62 -0.15 0.00 0.02 0.00 0.00 54.13 56.59 1weu s LEU 27 Cb -0.04 -3.64 0.13 0.00 0.02 0.00 0.00 46.19 42.66 1weu s LEU 27 CO -0.11 -0.56 0.48 -1.81 0.02 0.00 0.00 176.35 174.37 1weu s ASP 28 N -0.15 6.13 -0.85 2.29 1.11 -1.26 -5.00 116.67 118.94 1weu s ASP 28 Ca 0.53 -1.81 -0.04 0.00 0.18 0.00 0.00 52.55 51.41 1weu s ASP 28 Cb -0.39 -2.19 0.21 0.00 1.07 0.00 0.00 42.92 41.62 1weu s ASP 28 CO 0.48 -0.84 0.73 -0.32 1.18 0.00 0.00 175.17 176.40 1weu s MET 29 N 1.57 3.24 0.87 8.23 1.75 -1.26 -5.07 119.30 128.64 1weu s MET 29 Ca 0.03 -3.02 -0.15 0.00 -1.25 0.00 0.00 55.69 51.31 1weu s MET 29 Cb -0.30 -4.02 0.22 0.00 2.84 0.00 0.00 34.83 33.58 1weu s MET 29 CO 0.03 -1.24 0.77 -0.35 -0.65 0.00 0.00 175.02 173.58 1weu n PRO 30 N 2.81 -2.55 -0.64 4.11 -0.04 -1.26 -5.00 135.00 132.43 1weu n PRO 30 Ca 0.18 -1.24 -0.31 0.00 -0.04 0.00 0.00 63.50 62.09 1weu n PRO 30 Cb 0.38 -1.16 0.18 0.00 -0.04 0.00 0.00 33.50 32.86 1weu n PRO 30 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1weu n VAL 31 N -4.19 0.00 -4.09 0.52 3.14 -1.26 -5.05 118.33 107.40 1weu n VAL 31 Ca 0.11 -0.07 -0.11 0.00 -2.96 0.00 0.00 64.34 61.31 1weu n VAL 31 Cb 0.42 -0.99 -0.11 0.00 -1.06 0.00 0.00 33.84 32.10 1weu n VAL 31 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1weu s ASP 32 N -2.59 0.80 0.00 6.55 1.11 -1.26 -5.02 116.67 116.26 1weu s ASP 32 Ca 0.67 -0.76 0.11 0.00 0.18 0.00 0.00 52.55 52.75 1weu s ASP 32 Cb -0.23 0.09 0.66 0.00 1.07 0.00 0.00 42.92 44.50 1weu s ASP 32 CO 0.59 -0.36 1.09 -0.81 1.18 0.00 0.00 175.17 176.86 1weu n PRO 33 N 0.80 0.49 0.13 8.23 -0.04 -1.26 -3.68 135.00 139.66 1weu n PRO 33 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1weu n PRO 33 Cb 0.58 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 1weu n PRO 33 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1weu h ASN 34 N 0.00 -0.84 -3.61 3.54 4.21 -2.02 -3.43 115.58 113.43 1weu h ASN 34 Ca 0.00 0.09 -0.54 0.00 1.21 0.00 0.00 56.30 57.06 1weu h ASN 34 Cb 0.00 0.31 0.19 0.00 -1.12 0.00 0.00 38.32 37.71 1weu h ASN 34 CO 0.00 -0.39 -0.19 -0.62 -1.29 0.00 0.00 177.43 174.93 1weu n GLU 35 N -5.40 0.10 -2.26 0.81 1.02 -1.24 -4.93 120.64 108.74 1weu n GLU 35 Ca -0.07 0.09 -0.38 0.00 -0.02 0.00 0.00 57.16 56.78 1weu n GLU 35 Cb 0.31 -2.05 -0.02 0.00 -0.02 0.00 0.00 31.44 29.67 1weu n GLU 35 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1weu s PRO 36 N -3.46 4.04 -0.11 3.49 0.04 -1.26 -4.77 135.00 132.97 1weu s PRO 36 Ca 0.66 1.89 -0.02 0.00 0.04 0.00 0.00 61.00 63.57 1weu s PRO 36 Cb -0.29 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1weu s PRO 36 CO 0.58 -0.34 -0.05 0.95 0.04 0.00 0.00 177.00 178.18 1weu s THR 37 N -1.39 3.83 0.03 1.26 -4.23 -1.26 -3.77 115.64 110.11 1weu s THR 37 Ca 0.57 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 1weu s THR 37 Cb -0.32 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1weu s THR 37 CO 0.40 0.55 -0.08 -1.22 -0.54 0.00 0.00 174.62 173.73 1weu n TYR 38 N 2.87 0.00 -0.94 3.99 4.02 -1.23 -4.87 117.16 121.00 1weu n TYR 38 Ca -0.18 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.39 1weu n TYR 38 Cb 0.53 -0.12 0.02 0.00 -0.02 0.00 0.00 39.34 39.76 1weu n TYR 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1weu h LEU 40 N -0.50 0.22 -1.43 0.00 4.07 -1.97 0.68 115.31 116.38 1weu h LEU 40 Ca -0.36 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1weu h LEU 40 Cb 1.16 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1weu h LEU 40 CO 0.26 0.16 0.27 0.00 -1.08 0.00 0.00 178.44 178.05 1weu n HIS 42 N -2.43 -1.24 -4.10 0.00 8.25 0.23 -5.05 115.22 110.88 1weu n HIS 42 Ca -0.01 0.52 -0.23 0.00 -0.26 0.00 0.00 57.72 57.74 1weu n HIS 42 Cb 0.30 -3.68 -0.06 0.00 1.12 0.00 0.00 29.99 27.68 1weu n HIS 42 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1weu s GLN 43 N -4.82 2.41 -0.22 -0.41 -1.52 -1.26 -4.87 119.66 108.97 1weu s GLN 43 Ca 0.02 -1.49 -0.29 0.00 -1.95 0.00 0.00 55.36 51.65 1weu s GLN 43 Cb -0.01 -2.21 -0.00 0.00 -0.22 0.00 0.00 33.01 30.57 1weu s GLN 43 CO 0.40 0.15 1.21 0.14 -0.25 0.00 0.00 175.29 176.94 1weu s VAL 44 N -2.39 4.36 0.16 1.09 -7.23 -1.26 -3.51 120.40 111.61 1weu s VAL 44 Ca 0.37 1.61 -0.34 0.00 -1.81 0.00 0.00 61.98 61.81 1weu s VAL 44 Cb -0.03 -4.13 -0.14 0.00 0.56 0.00 0.00 36.38 32.64 1weu s VAL 44 CO 0.23 -0.24 1.58 -1.54 -0.31 0.00 0.00 175.10 174.81 1weu n SER 45 N 6.78 3.09 -0.02 4.85 3.41 -1.25 -4.90 113.62 125.58 1weu n SER 45 Ca 0.14 1.08 -0.05 0.00 -0.26 0.00 0.00 58.87 59.78 1weu n SER 45 Cb 0.46 -1.42 -0.02 0.00 -0.26 0.00 0.00 64.21 62.96 1weu n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1weu n TYR 46 N 3.43 0.00 0.00 7.33 4.11 -1.26 -5.05 117.16 125.72 1weu n TYR 46 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.07 1weu n TYR 46 Cb 0.29 -0.24 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 1weu n TYR 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1weu n GLY 47 N 2.61 -0.31 3.56 -7.48 0.00 -1.26 -5.06 105.19 97.25 1weu n GLY 47 Ca -0.09 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1weu n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1weu s GLU 48 N -1.79 1.87 0.05 1.61 2.02 -1.26 -4.87 118.70 116.32 1weu s GLU 48 Ca 0.00 0.41 -0.07 0.00 0.02 0.00 0.00 54.97 55.33 1weu s GLU 48 Cb 0.00 -4.81 -0.00 0.00 0.10 0.00 0.00 34.13 29.41 1weu s GLU 48 CO 0.00 -4.08 0.15 -1.64 0.02 0.00 0.00 175.26 169.70 1weu s MET 49 N 8.40 0.68 0.00 1.61 -1.94 -1.26 -3.88 119.30 122.91 1weu s MET 49 Ca 0.88 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1weu s MET 49 Cb -0.12 0.27 0.00 0.00 2.01 0.00 0.00 34.83 36.99 1weu s MET 49 CO 0.08 -0.19 0.00 0.44 -0.01 0.00 0.00 175.02 175.34 1weu n ILE 50 N 0.54 0.00 -2.03 2.53 -0.00 -1.24 -4.78 119.36 114.37 1weu n ILE 50 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 62.75 62.56 1weu n ILE 50 Cb 0.60 -0.76 -0.01 0.00 -0.00 0.00 0.00 39.64 39.46 1weu n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1weu n GLY 51 N 2.59 -4.74 3.49 3.28 0.00 -1.26 -4.78 105.19 103.76 1weu n GLY 51 Ca 0.00 0.35 -0.54 0.00 0.00 0.00 0.00 46.02 45.83 1weu n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weu h ASP 53 N 2.63 0.00 -2.81 0.00 3.58 -1.66 -3.42 116.42 114.73 1weu h ASP 53 Ca -0.44 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.45 1weu h ASP 53 Cb 1.41 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.43 1weu h ASP 53 CO 0.64 0.14 0.96 0.21 -2.88 0.00 0.00 179.24 178.32 1weu s ASN 54 N -6.29 6.85 0.52 2.28 2.47 -1.26 -4.89 114.94 114.62 1weu s ASN 54 Ca -0.03 1.87 0.33 0.00 0.42 0.00 0.00 52.86 55.45 1weu s ASN 54 Cb 0.13 -2.54 1.36 0.00 -1.45 0.00 0.00 41.25 38.76 1weu s ASN 54 CO 0.61 -0.81 1.97 1.55 -3.72 0.00 0.00 177.10 176.69 1weu h PRO 55 N 8.63 0.00 0.07 0.43 0.13 -2.00 -2.99 132.00 136.26 1weu h PRO 55 Ca -0.31 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.54 1weu h PRO 55 Cb 1.13 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.28 1weu h PRO 55 CO 0.96 0.00 -1.16 -0.44 -0.23 0.00 0.00 178.00 177.13 1weu h ASP 56 N 0.00 0.86 -1.26 1.44 3.32 -1.95 -3.45 116.42 115.37 1weu h ASP 56 Ca 0.00 -0.75 -0.80 0.00 0.02 0.00 0.00 57.03 55.50 1weu h ASP 56 Cb 0.47 -0.27 0.02 0.00 0.22 0.00 0.00 39.33 39.77 1weu h ASP 56 CO 0.00 1.55 0.70 0.00 -1.72 0.00 0.00 179.24 179.78 1weu h SER 58 N 5.65 -0.02 0.39 0.00 0.02 -1.90 -3.30 113.55 114.40 1weu h SER 58 Ca -0.46 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.31 1weu h SER 58 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1weu h SER 58 CO 0.93 0.15 -0.19 0.40 -1.14 0.00 0.00 176.83 176.99 1weu h ILE 59 N -0.19 0.30 -7.15 3.27 2.04 -1.93 -3.46 117.51 110.40 1weu h ILE 59 Ca -0.00 -0.65 -0.62 0.00 1.00 0.00 0.00 64.86 64.58 1weu h ILE 59 Cb 0.18 0.48 -0.35 0.00 -0.74 0.00 0.00 36.82 36.39 1weu h ILE 59 CO 0.00 0.07 -0.91 -1.84 0.00 0.00 0.00 178.15 175.47 1weu n GLU 60 N -5.14 -0.99 -3.54 2.37 0.28 -1.25 -4.87 120.64 107.50 1weu n GLU 60 Ca -0.08 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1weu n GLU 60 Cb 0.26 -4.64 -0.04 0.00 1.43 0.00 0.00 31.44 28.45 1weu n GLU 60 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1weu s TRP 61 N -3.37 -1.06 0.19 -1.84 0.52 -1.26 -3.12 118.94 109.00 1weu s TRP 61 Ca 0.74 1.83 -0.02 0.00 0.02 0.00 0.00 56.10 58.67 1weu s TRP 61 Cb -0.43 0.63 0.01 0.00 -1.15 0.00 0.00 33.47 32.53 1weu s TRP 61 CO 1.02 -0.53 0.28 1.19 0.02 0.00 0.00 176.95 178.93 1weu n PHE 62 N 5.24 -1.07 -4.20 -1.98 3.72 -1.26 -2.20 117.46 115.71 1weu n PHE 62 Ca -0.11 -1.20 -0.25 0.00 -0.05 0.00 0.00 57.45 55.84 1weu n PHE 62 Cb 0.51 0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 39.28 1weu n PHE 62 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1weu s HIS 63 N -4.14 2.57 0.02 1.38 3.76 -1.26 -3.73 115.29 113.89 1weu s HIS 63 Ca 0.14 -0.61 -0.14 0.00 -0.15 0.00 0.00 55.06 54.30 1weu s HIS 63 Cb -0.01 -1.93 -0.34 0.00 1.11 0.00 0.00 32.58 31.41 1weu s HIS 63 CO 0.10 0.21 0.94 0.74 -0.85 0.00 0.00 174.74 175.88 1weu h PHE 64 N 1.46 0.91 0.00 1.40 0.04 -1.84 -3.24 116.94 115.67 1weu h PHE 64 Ca -0.43 -0.66 0.00 0.00 2.80 0.00 0.00 57.97 59.68 1weu h PHE 64 Cb 1.25 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1weu h PHE 64 CO 0.66 1.57 0.00 0.00 -0.60 0.00 0.00 178.31 179.95 1weu n ALA 65 N -2.74 2.38 0.04 2.45 0.00 -1.26 0.88 120.51 122.26 1weu n ALA 65 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1weu n ALA 65 Cb 1.10 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 1weu n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1weu n VAL 67 N -1.39 0.00 0.00 0.00 0.24 -1.08 -5.00 118.33 111.10 1weu n VAL 67 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1weu n VAL 67 Cb 0.06 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1weu n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1weu n GLY 68 N 1.34 0.74 2.40 7.63 0.00 0.25 -5.10 105.19 112.45 1weu n GLY 68 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1weu n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1weu n LEU 69 N 0.00 0.73 -0.13 0.99 4.77 -1.00 -4.98 117.00 117.38 1weu n LEU 69 Ca 0.00 -4.73 0.09 0.00 -0.03 0.00 0.00 56.01 51.34 1weu n LEU 69 Cb 0.00 0.25 0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1weu n LEU 69 CO 0.00 1.94 0.35 0.41 -1.33 0.00 0.00 177.39 178.76 1weu n THR 70 N 1.99 -0.16 -4.03 -5.08 -1.04 -1.26 -4.36 114.28 100.34 1weu n THR 70 Ca 0.26 0.81 -0.09 0.00 -2.04 0.00 0.00 64.05 62.99 1weu n THR 70 Cb 0.47 -1.25 -0.09 0.00 -1.82 0.00 0.00 70.33 67.65 1weu n THR 70 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1weu s THR 71 N -4.92 0.13 -0.07 12.58 -1.32 -1.26 -5.08 115.64 115.71 1weu s THR 71 Ca -0.04 -1.60 -0.30 0.00 -1.21 0.00 0.00 61.69 58.54 1weu s THR 71 Cb 0.12 -1.72 -0.05 0.00 -1.51 0.00 0.00 72.50 69.34 1weu s THR 71 CO 0.30 -0.59 1.66 -0.75 -2.21 0.00 0.00 174.62 173.03 1weu s LYS 72 N -3.96 4.14 0.44 7.08 2.20 -1.26 -4.88 119.74 123.50 1weu s LYS 72 Ca 0.14 2.16 0.23 0.00 -0.36 0.00 0.00 55.97 58.14 1weu s LYS 72 Cb 0.06 -4.00 0.99 0.00 -1.51 0.00 0.00 37.83 33.38 1weu s LYS 72 CO -0.04 -0.89 1.87 -1.00 -0.36 0.00 0.00 175.35 174.92 1weu h PRO 73 N 9.70 0.00 -5.66 4.03 0.13 -1.92 -3.46 132.00 134.82 1weu h PRO 73 Ca -0.39 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.35 1weu h PRO 73 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1weu h PRO 73 CO 0.96 0.24 -0.57 -2.13 -0.23 0.00 0.00 178.00 176.27 1weu n ARG 74 N -3.52 -0.83 0.00 0.86 0.63 -1.26 -4.62 116.66 107.92 1weu n ARG 74 Ca -0.01 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1weu n ARG 74 Cb 0.40 -2.86 0.00 0.00 0.45 0.00 0.00 32.46 30.45 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1weu n GLY 75 N -0.94 1.75 2.55 5.14 0.00 -1.26 -5.05 105.19 107.38 1weu n GLY 75 Ca 0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1weu n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1weu n LYS 76 N 0.00 2.12 -3.52 1.61 4.76 -1.26 -4.93 118.16 116.94 1weu n LYS 76 Ca 0.00 -4.16 -0.38 0.00 -2.87 0.00 0.00 58.31 50.89 1weu n LYS 76 Cb 0.00 -1.96 -0.10 0.00 -1.84 0.00 0.00 35.03 31.13 1weu n LYS 76 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1weu s TRP 77 N -2.80 3.23 -0.15 2.13 -0.00 -1.26 -4.99 118.94 115.10 1weu s TRP 77 Ca 0.44 0.21 -0.04 0.00 -0.00 0.00 0.00 56.10 56.71 1weu s TRP 77 Cb 0.28 -2.45 -0.03 0.00 -0.00 0.00 0.00 33.47 31.28 1weu s TRP 77 CO -0.10 -0.19 -0.03 -0.06 -0.00 0.00 0.00 176.95 176.57 1weu s PHE 78 N 1.87 3.05 0.74 5.86 0.40 -1.26 -1.75 117.98 126.89 1weu s PHE 78 Ca 0.10 -0.24 -0.16 0.00 -0.60 0.00 0.00 56.93 56.03 1weu s PHE 78 Cb -0.16 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 1weu s PHE 78 CO 0.11 0.01 0.55 0.00 0.70 0.00 0.00 175.22 176.59 1weu n PRO 80 N -0.91 0.49 -0.02 0.00 -0.04 -1.26 -2.03 135.00 131.23 1weu n PRO 80 Ca 0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1weu n PRO 80 Cb 0.50 -1.31 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 1weu n PRO 80 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1weu n ARG 81 N -0.81 0.70 -0.11 0.54 1.74 -1.26 -4.36 116.66 113.11 1weu n ARG 81 Ca 0.07 -0.13 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 1weu n ARG 81 Cb 0.03 -1.41 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 1weu n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1weu h SER 83 N -0.80 0.56 -0.99 0.00 0.87 -1.73 -0.37 113.55 111.09 1weu h SER 83 Ca -0.49 0.13 0.33 0.00 -1.23 0.00 0.00 61.79 60.52 1weu h SER 83 Cb 1.54 0.05 -0.18 0.00 -0.44 0.00 0.00 62.40 63.37 1weu h SER 83 CO -0.24 0.12 0.26 -0.61 -0.53 0.00 0.00 176.83 175.83 1weu h GLN 84 N 0.57 0.03 -0.95 2.24 5.75 -1.76 0.49 115.11 121.47 1weu h GLN 84 Ca 0.58 -0.00 0.29 0.00 -0.15 0.00 0.00 58.65 59.36 1weu h GLN 84 Cb 1.02 -0.01 -0.17 0.00 1.07 0.00 0.00 27.48 29.39 1weu h GLN 84 CO -0.46 0.02 0.22 1.49 -2.65 0.00 0.00 178.83 177.46 1weu h GLU 85 N 0.04 0.09 -7.23 1.69 4.22 -1.30 -3.40 114.58 108.67 1weu h GLU 85 Ca 0.70 -0.01 -0.51 0.00 0.08 0.00 0.00 59.36 59.62 1weu h GLU 85 Cb 1.62 -0.02 0.12 0.00 0.50 0.00 0.00 28.75 30.98 1weu h GLU 85 CO -0.83 0.06 0.35 0.45 -2.18 0.00 0.00 179.01 176.86 1weu s SER 86 N -4.94 4.71 -0.15 1.04 0.15 0.17 -4.97 113.70 109.71 1weu s SER 86 Ca -0.12 2.00 -0.29 0.00 0.70 0.00 0.00 55.95 58.24 1weu s SER 86 Cb 0.29 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 1weu s SER 86 CO 0.78 -1.90 1.06 -0.83 1.20 0.00 0.00 173.24 173.55 1weu s GLY 87 N -2.75 2.03 1.07 9.45 0.00 -1.26 -5.03 107.32 110.82 1weu s GLY 87 Ca 0.66 0.34 -0.15 0.00 0.00 0.00 0.00 44.72 45.57 1weu s GLY 87 CO 0.47 2.10 1.10 2.56 0.00 0.00 0.00 173.10 179.33 1weu s PRO 88 N 2.60 -0.18 1.02 2.90 0.04 -1.26 -5.05 135.00 135.06 1weu s PRO 88 Ca 0.48 0.30 -0.16 0.00 0.04 0.00 0.00 61.00 61.67 1weu s PRO 88 Cb -0.18 -1.68 0.21 0.00 0.04 0.00 0.00 34.50 32.88 1weu s PRO 88 CO 0.14 -3.10 1.20 -1.12 0.04 0.00 0.00 177.00 174.16 1weu s SER 89 N -3.60 2.57 0.02 6.66 0.01 -1.26 -5.09 113.70 113.01 1weu s SER 89 Ca 0.67 0.59 0.01 0.00 1.31 0.00 0.00 55.95 58.53 1weu s SER 89 Cb -0.16 -0.86 -0.02 0.00 0.21 0.00 0.00 66.02 65.19 1weu s SER 89 CO 0.57 -3.10 -0.04 -0.94 0.41 0.00 0.00 173.24 170.14 1weu s SER 90 N -4.33 0.44 0.00 2.44 1.04 -1.26 -5.32 113.70 106.71 1weu s SER 90 Ca 0.70 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1weu s SER 90 Cb -0.09 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1weu s SER 90 CO 0.54 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.17