#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 -0.01 0.20 1.61 0.01 -1.26 -5.20 113.70 109.05 1weu s SER 2 Ca 0.00 -0.41 -0.22 0.00 1.31 0.00 0.00 55.95 56.63 1weu s SER 2 Cb 0.00 0.32 0.07 0.00 0.21 0.00 0.00 66.02 66.62 1weu s SER 2 CO 0.00 -0.62 1.01 -0.55 0.41 0.00 0.00 173.24 173.48 1weu s SER 3 N -3.49 -0.02 0.01 2.44 0.15 -1.26 -5.19 113.70 106.33 1weu s SER 3 Ca 0.23 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 1weu s SER 3 Cb -0.01 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1weu s SER 3 CO 0.02 -1.04 0.05 0.61 1.20 0.00 0.00 173.24 174.08 1weu n GLY 4 N -0.65 1.41 3.78 9.45 0.00 -1.26 -5.19 105.19 112.72 1weu n GLY 4 Ca -0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 1weu n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 5 N -1.12 -0.07 0.14 1.61 1.04 -1.26 -5.19 113.70 108.85 1weu s SER 5 Ca 0.01 -0.38 -0.24 0.00 0.48 0.00 0.00 55.95 55.82 1weu s SER 5 Cb -0.00 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.55 1weu s SER 5 CO 0.00 -0.68 1.07 -0.55 0.98 0.00 0.00 173.24 174.06 1weu s SER 6 N -3.18 -0.04 0.00 7.02 0.15 -1.26 -5.19 113.70 111.20 1weu s SER 6 Ca 0.17 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1weu s SER 6 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1weu s SER 6 CO 0.01 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1weu n GLY 7 N -0.65 6.36 3.62 9.45 0.00 -1.26 -5.18 105.19 117.53 1weu n GLY 7 Ca -0.04 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 0.77 -0.62 1.10 1.61 1.04 -1.26 -5.18 113.70 111.16 1weu s SER 8 Ca 0.00 1.13 -0.08 0.00 0.48 0.00 0.00 55.95 57.47 1weu s SER 8 Cb 0.00 1.12 0.12 0.00 0.10 0.00 0.00 66.02 67.36 1weu s SER 8 CO 0.00 -0.26 0.43 -0.81 0.98 0.00 0.00 173.24 173.58 1weu n PRO 9 N 2.24 -1.87 -4.40 4.02 -0.04 -1.26 -5.10 135.00 128.59 1weu n PRO 9 Ca -0.14 -0.69 -0.22 0.00 -0.04 0.00 0.00 63.50 62.42 1weu n PRO 9 Cb 0.56 -0.65 -0.09 0.00 -0.04 0.00 0.00 33.50 33.28 1weu n PRO 9 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1weu s GLU 10 N -3.98 1.74 0.27 0.54 1.03 -1.26 -5.18 118.70 111.87 1weu s GLU 10 Ca 0.28 -2.02 0.02 0.00 0.03 0.00 0.00 54.97 53.28 1weu s GLU 10 Cb -0.03 -0.29 -0.04 0.00 -0.80 0.00 0.00 34.13 32.97 1weu s GLU 10 CO 0.21 -0.47 0.15 0.71 -1.33 0.00 0.00 175.26 174.53 1weu s TYR 11 N -3.42 1.48 0.00 4.83 2.02 -1.26 -5.18 117.35 115.83 1weu s TYR 11 Ca 0.32 -1.35 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 1weu s TYR 11 Cb 0.04 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 1weu s TYR 11 CO 0.17 -0.54 0.00 0.41 -1.57 0.00 0.00 175.55 174.03 1weu n GLY 12 N -0.48 1.89 3.26 0.71 0.00 -1.26 -5.15 105.19 104.16 1weu n GLY 12 Ca 0.02 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1weu n GLY 12 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1weu s MET 13 N 4.13 0.78 0.37 1.61 -1.94 -1.26 -5.18 119.30 117.81 1weu s MET 13 Ca 0.00 -0.38 -0.06 0.00 -1.71 0.00 0.00 55.69 53.54 1weu s MET 13 Cb 0.00 0.34 0.09 0.00 2.01 0.00 0.00 34.83 37.27 1weu s MET 13 CO 0.00 -0.24 0.33 -0.35 -0.01 0.00 0.00 175.02 174.74 1weu n PRO 14 N 0.80 -1.66 -4.03 2.03 -0.04 -1.26 -5.09 135.00 125.75 1weu n PRO 14 Ca -0.20 -0.52 -0.27 0.00 -0.04 0.00 0.00 63.50 62.47 1weu n PRO 14 Cb 0.58 -0.49 -0.02 0.00 -0.04 0.00 0.00 33.50 33.54 1weu n PRO 14 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1weu s SER 15 N -2.39 4.55 0.01 3.54 1.04 -1.26 -5.14 113.70 114.06 1weu s SER 15 Ca 0.21 -1.31 -0.00 0.00 0.48 0.00 0.00 55.95 55.33 1weu s SER 15 Cb -0.02 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1weu s SER 15 CO 0.16 -1.07 0.10 0.54 0.98 0.00 0.00 173.24 173.96 1weu s VAL 16 N -2.79 4.82 0.51 5.02 0.11 -1.26 -5.12 120.40 121.69 1weu s VAL 16 Ca 0.29 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.96 1weu s VAL 16 Cb -0.02 -3.24 0.02 0.00 -1.53 0.00 0.00 36.38 31.61 1weu s VAL 16 CO 0.18 0.29 0.36 0.42 -3.33 0.00 0.00 175.10 173.02 1weu s THR 17 N -1.27 1.83 0.45 5.04 -4.23 -1.26 -5.16 115.64 111.04 1weu s THR 17 Ca 0.25 -1.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1weu s THR 17 Cb -0.12 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1weu s THR 17 CO 0.17 0.00 0.08 0.72 -0.54 0.00 0.00 174.62 175.05 1weu s PHE 18 N -2.72 1.82 -0.28 3.99 -0.12 -1.26 -5.17 117.98 114.24 1weu s PHE 18 Ca 0.35 -1.17 -0.38 0.00 -0.05 0.00 0.00 56.93 55.68 1weu s PHE 18 Cb -0.01 -1.32 0.16 0.00 -0.63 0.00 0.00 43.02 41.21 1weu s PHE 18 CO 0.21 -0.11 1.38 0.20 -0.05 0.00 0.00 175.22 176.86 1weu s GLY 19 N -3.70 -0.22 0.03 1.99 0.00 -1.26 -5.19 107.32 98.97 1weu s GLY 19 Ca 0.17 1.86 -0.28 0.00 0.00 0.00 0.00 44.72 46.48 1weu s GLY 19 CO 0.11 0.61 1.22 -0.45 0.00 0.00 0.00 173.10 174.59 1weu s SER 20 N -2.08 -0.03 0.13 1.64 0.15 -1.26 -5.18 113.70 107.08 1weu s SER 20 Ca 0.12 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 56.60 1weu s SER 20 Cb -0.00 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1weu s SER 20 CO -0.03 -0.46 -0.20 0.54 1.20 0.00 0.00 173.24 174.30 1weu s VAL 21 N -2.30 2.69 -0.06 4.45 0.11 -1.26 -5.14 120.40 118.89 1weu s VAL 21 Ca 0.21 -1.62 0.01 0.00 -2.93 0.00 0.00 61.98 57.65 1weu s VAL 21 Cb 0.01 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.60 1weu s VAL 21 CO -0.01 0.07 -0.07 -1.00 -3.33 0.00 0.00 175.10 170.76 1weu s HIS 22 N -1.20 2.93 0.36 1.54 3.76 -1.26 -5.10 115.29 116.31 1weu s HIS 22 Ca 0.18 0.02 -0.27 0.00 -0.15 0.00 0.00 55.06 54.83 1weu s HIS 22 Cb -0.10 -1.70 -0.09 0.00 1.11 0.00 0.00 32.58 31.80 1weu s HIS 22 CO 0.09 0.34 1.21 -1.25 -0.85 0.00 0.00 174.74 174.28 1weu s PRO 23 N -0.90 4.26 0.34 8.40 0.04 -1.26 -5.05 135.00 140.83 1weu s PRO 23 Ca 0.13 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1weu s PRO 23 Cb -0.11 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1weu s PRO 23 CO 0.02 -0.19 0.14 -1.12 0.04 0.00 0.00 177.00 175.90 1weu s SER 24 N -0.85 4.71 -0.83 6.66 0.01 -1.26 -5.08 113.70 117.06 1weu s SER 24 Ca 0.52 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1weu s SER 24 Cb -0.34 -0.75 0.22 0.00 0.21 0.00 0.00 66.02 65.36 1weu s SER 24 CO 0.44 -0.29 0.75 -1.81 0.41 0.00 0.00 173.24 172.74 1weu s ASP 25 N -3.85 6.50 -0.03 2.44 1.11 -1.26 -5.01 116.67 116.58 1weu s ASP 25 Ca 0.38 -2.89 -0.01 0.00 0.18 0.00 0.00 52.55 50.20 1weu s ASP 25 Cb -0.03 -2.13 0.03 0.00 1.07 0.00 0.00 42.92 41.87 1weu s ASP 25 CO 0.23 -0.48 0.06 -0.69 1.18 0.00 0.00 175.17 175.47 1weu s VAL 26 N -0.14 -0.06 0.04 -1.27 1.01 -1.26 -5.14 120.40 113.57 1weu s VAL 26 Ca 0.20 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 1weu s VAL 26 Cb -0.12 -0.13 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 1weu s VAL 26 CO -0.08 0.09 0.60 -0.22 0.00 0.00 0.00 175.10 175.49 1weu s LEU 27 N 1.18 4.47 -1.24 3.92 2.96 -1.26 -4.99 118.68 123.72 1weu s LEU 27 Ca -0.08 1.23 -0.19 0.00 -0.22 0.00 0.00 54.13 54.87 1weu s LEU 27 Cb -0.13 -2.94 0.05 0.00 0.50 0.00 0.00 46.19 43.68 1weu s LEU 27 CO -0.04 0.18 1.71 -0.62 -1.32 0.00 0.00 176.35 176.26 1weu s ASP 28 N -0.61 6.60 0.20 3.68 2.15 -1.26 -4.96 116.67 122.46 1weu s ASP 28 Ca 0.31 -2.18 -0.29 0.00 0.43 0.00 0.00 52.55 50.82 1weu s ASP 28 Cb -0.19 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.68 1weu s ASP 28 CO 0.18 -1.42 0.63 0.23 -0.17 0.00 0.00 175.17 174.62 1weu n MET 29 N 8.48 0.21 -2.20 4.34 2.81 -1.26 -4.84 117.12 124.66 1weu n MET 29 Ca 0.46 0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 56.00 1weu n MET 29 Cb 0.47 -1.16 -0.03 0.00 -0.71 0.00 0.00 33.22 31.79 1weu n MET 29 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1weu s PRO 30 N -1.01 4.33 0.93 0.03 0.04 -1.26 -4.96 135.00 133.09 1weu s PRO 30 Ca 0.65 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.55 1weu s PRO 30 Cb -0.91 -3.31 -0.15 0.00 0.04 0.00 0.00 34.50 30.17 1weu s PRO 30 CO 0.57 -0.44 -0.72 1.55 0.04 0.00 0.00 177.00 178.00 1weu n VAL 31 N 4.06 0.00 -4.09 -0.36 3.14 -1.26 -5.00 118.33 114.82 1weu n VAL 31 Ca 0.11 -0.49 -0.10 0.00 -2.96 0.00 0.00 64.34 60.90 1weu n VAL 31 Cb 0.43 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.10 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 -0.99 0.73 0.00 6.55 1.01 -1.26 -5.02 116.67 117.69 1weu s ASP 32 Ca 0.42 -0.79 0.10 0.00 0.71 0.00 0.00 52.55 52.99 1weu s ASP 32 Cb -0.22 0.11 0.62 0.00 1.01 0.00 0.00 42.92 44.44 1weu s ASP 32 CO 0.80 -0.40 1.06 -0.81 0.21 0.00 0.00 175.17 176.03 1weu n PRO 33 N 0.69 0.49 -0.03 8.23 -0.04 -1.26 -3.09 135.00 139.99 1weu n PRO 33 Ca -0.18 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1weu n PRO 33 Cb 0.58 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.46 -1.79 3.54 -0.26 -2.01 -3.46 115.58 112.05 1weu h ASN 34 Ca 0.00 -0.65 -0.52 0.00 -0.56 0.00 0.00 56.30 54.58 1weu h ASN 34 Cb 0.00 -0.14 0.19 0.00 -1.06 0.00 0.00 38.32 37.31 1weu h ASN 34 CO 0.00 1.04 -1.36 -0.62 -1.06 0.00 0.00 177.43 175.43 1weu n GLU 35 N -4.37 0.00 -2.26 0.81 -0.58 -1.18 -4.86 120.64 108.21 1weu n GLU 35 Ca -0.08 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.29 1weu n GLU 35 Cb 0.53 -0.90 -0.01 0.00 -0.57 0.00 0.00 31.44 30.50 1weu n GLU 35 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1weu s PRO 36 N -1.35 3.63 -0.09 3.49 0.04 -1.26 -4.82 135.00 134.64 1weu s PRO 36 Ca 0.43 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1weu s PRO 36 Cb -0.30 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1weu s PRO 36 CO 0.67 -0.65 -0.12 0.95 0.04 0.00 0.00 177.00 177.89 1weu s THR 37 N -1.62 3.20 0.01 1.26 -4.23 -1.26 -3.84 115.64 109.17 1weu s THR 37 Ca 0.66 -0.64 -0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1weu s THR 37 Cb -0.27 -2.31 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1weu s THR 37 CO 0.32 0.56 -0.11 -1.22 -0.54 0.00 0.00 174.62 173.64 1weu n TYR 38 N 2.84 0.00 -0.93 3.99 4.02 -1.23 -4.85 117.16 120.99 1weu n TYR 38 Ca -0.18 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.40 1weu n TYR 38 Cb 0.52 -0.15 0.02 0.00 -0.02 0.00 0.00 39.34 39.72 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 -0.53 1.01 -0.29 0.00 4.07 -1.96 0.18 115.31 117.79 1weu h LEU 40 Ca -0.37 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1weu h LEU 40 Cb 1.16 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1weu h LEU 40 CO 0.26 0.62 0.00 0.00 -1.08 0.00 0.00 178.44 178.24 1weu n HIS 42 N -1.68 -1.66 -4.45 0.00 8.25 0.64 -5.04 115.22 111.28 1weu n HIS 42 Ca 0.01 0.70 -0.24 0.00 -0.26 0.00 0.00 57.72 57.92 1weu n HIS 42 Cb 0.06 -4.26 -0.10 0.00 1.12 0.00 0.00 29.99 26.82 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 -4.93 1.63 0.19 -0.41 -0.21 -1.26 -4.83 119.66 109.84 1weu s GLN 43 Ca 0.03 -1.71 -0.32 0.00 0.02 0.00 0.00 55.36 53.38 1weu s GLN 43 Cb -0.00 -1.74 -0.16 0.00 1.00 0.00 0.00 33.01 32.11 1weu s GLN 43 CO 0.55 0.33 1.10 1.55 -2.12 0.00 0.00 175.29 176.70 1weu n VAL 44 N -0.45 1.13 -2.68 1.09 3.14 -1.26 -3.56 118.33 115.73 1weu n VAL 44 Ca -0.07 -0.28 -0.42 0.00 -2.96 0.00 0.00 64.34 60.61 1weu n VAL 44 Cb 0.59 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 32.53 1weu n VAL 44 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1weu s SER 45 N -0.15 6.25 0.50 6.55 1.04 -1.25 -4.93 113.70 121.71 1weu s SER 45 Ca 0.70 -0.89 -0.00 0.00 0.48 0.00 0.00 55.95 56.25 1weu s SER 45 Cb -0.84 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 62.83 1weu s SER 45 CO 0.54 -1.60 0.35 0.00 0.98 0.00 0.00 173.24 173.51 1weu n TYR 46 N 8.54 -3.21 -0.16 5.02 4.11 -1.26 -4.99 117.16 125.21 1weu n TYR 46 Ca 0.06 -0.63 -0.02 0.00 -0.00 0.00 0.00 57.90 57.31 1weu n TYR 46 Cb 0.48 -0.26 0.05 0.00 -0.00 0.00 0.00 39.34 39.61 1weu n TYR 46 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.86 177.64 1weu h GLY 47 N -0.21 0.45 -7.33 -7.48 0.00 -2.01 -3.37 103.07 83.11 1weu h GLY 47 Ca -0.12 0.10 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 1weu h GLY 47 CO 0.13 -0.16 1.22 1.18 0.00 0.00 0.00 176.54 178.90 1weu n GLU 48 N -5.28 0.56 -3.48 4.80 4.71 -1.26 -4.82 120.64 115.86 1weu n GLU 48 Ca 0.05 -0.27 -0.14 0.00 -0.01 0.00 0.00 57.16 56.79 1weu n GLU 48 Cb 0.27 -2.83 -0.04 0.00 -1.01 0.00 0.00 31.44 27.83 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1weu s MET 49 N 8.43 1.09 0.00 3.49 -1.94 -1.26 -4.27 119.30 124.84 1weu s MET 49 Ca 1.08 -0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.96 1weu s MET 49 Cb -0.45 0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.90 1weu s MET 49 CO 0.29 -0.42 0.00 0.44 -0.01 0.00 0.00 175.02 175.32 1weu n ILE 50 N 0.25 0.00 -2.30 2.53 -0.00 -1.25 -4.86 119.36 113.73 1weu n ILE 50 Ca -0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.55 1weu n ILE 50 Cb 0.61 -0.47 -0.03 0.00 -0.00 0.00 0.00 39.64 39.75 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 2.03 -4.60 2.83 3.28 0.00 -1.26 -4.78 105.19 102.68 1weu n GLY 51 Ca 0.00 1.14 -0.50 0.00 0.00 0.00 0.00 46.02 46.67 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 3.11 0.00 -2.67 0.00 1.82 -1.44 -3.42 116.42 113.81 1weu h ASP 53 Ca -0.37 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 55.71 1weu h ASP 53 Cb 1.09 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.09 1weu h ASP 53 CO 0.63 0.04 1.11 0.21 -1.61 0.00 0.00 179.24 179.62 1weu s ASN 54 N -5.94 6.52 0.54 2.28 2.47 -1.26 -4.88 114.94 114.67 1weu s ASN 54 Ca -0.04 1.93 0.33 0.00 0.42 0.00 0.00 52.86 55.50 1weu s ASN 54 Cb 0.14 -2.53 1.36 0.00 -1.45 0.00 0.00 41.25 38.77 1weu s ASN 54 CO 0.53 -1.09 1.99 1.55 -3.72 0.00 0.00 177.10 176.36 1weu h PRO 55 N 10.15 0.00 0.01 0.43 0.13 -2.00 -2.82 132.00 137.89 1weu h PRO 55 Ca -0.36 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.55 1weu h PRO 55 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1weu h PRO 55 CO 0.98 0.03 -1.03 -0.44 -0.23 0.00 0.00 178.00 177.31 1weu h ASP 56 N 0.00 0.02 -1.15 1.44 5.19 -1.95 -3.46 116.42 116.50 1weu h ASP 56 Ca -0.00 -0.02 -0.80 0.00 -0.62 0.00 0.00 57.03 55.58 1weu h ASP 56 Cb 0.51 -0.01 0.03 0.00 0.18 0.00 0.00 39.33 40.05 1weu h ASP 56 CO 0.00 1.02 0.45 0.00 -3.12 0.00 0.00 179.24 177.59 1weu h SER 58 N 4.47 -0.07 0.03 0.00 4.64 -1.90 -3.37 113.55 117.35 1weu h SER 58 Ca -0.47 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1weu h SER 58 Cb 1.38 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1weu h SER 58 CO 0.83 0.21 -0.01 0.40 -0.87 0.00 0.00 176.83 177.38 1weu h ILE 59 N -0.35 0.00 -5.67 0.95 2.04 -1.97 -3.48 117.51 109.03 1weu h ILE 59 Ca -0.01 -0.28 -0.33 0.00 1.00 0.00 0.00 64.86 65.25 1weu h ILE 59 Cb 0.31 0.00 0.16 0.00 -0.74 0.00 0.00 36.82 36.55 1weu h ILE 59 CO 0.01 0.00 -0.80 1.21 0.00 0.00 0.00 178.15 178.57 1weu n GLU 60 N -2.88 -5.39 -3.44 2.37 2.13 -1.26 -4.99 120.64 107.18 1weu n GLU 60 Ca -0.00 0.82 0.01 0.00 0.66 0.00 0.00 57.16 58.64 1weu n GLU 60 Cb 0.01 -5.74 -0.04 0.00 0.27 0.00 0.00 31.44 25.94 1weu n GLU 60 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1weu s TRP 61 N -3.41 -0.63 0.24 4.31 0.52 -1.26 -4.04 118.94 114.68 1weu s TRP 61 Ca 0.11 1.11 -0.20 0.00 0.02 0.00 0.00 56.10 57.13 1weu s TRP 61 Cb -0.02 0.38 0.03 0.00 -1.15 0.00 0.00 33.47 32.71 1weu s TRP 61 CO 0.74 -0.31 0.65 -0.06 0.02 0.00 0.00 176.95 178.00 1weu s PHE 62 N 2.23 -0.21 0.64 -1.98 0.08 -1.26 -3.10 117.98 114.38 1weu s PHE 62 Ca -0.04 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.88 1weu s PHE 62 Cb -0.05 0.60 0.12 0.00 -0.57 0.00 0.00 43.02 43.12 1weu s PHE 62 CO -0.17 -1.11 0.88 0.72 -0.10 0.00 0.00 175.22 175.45 1weu n HIS 63 N -0.42 -2.66 -0.01 0.36 8.25 -1.26 -3.85 115.22 115.63 1weu n HIS 63 Ca -0.07 -1.87 -0.21 0.00 -0.26 0.00 0.00 57.72 55.30 1weu n HIS 63 Cb 0.61 -0.63 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1weu n HIS 63 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1weu n PHE 64 N -2.55 1.18 1.09 4.41 3.72 -1.26 -3.98 117.46 120.07 1weu n PHE 64 Ca 0.16 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 1weu n PHE 64 Cb 0.58 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.97 1weu n PHE 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1weu n ALA 65 N -3.05 2.46 -0.01 4.37 0.00 -1.26 -0.24 120.51 122.78 1weu n ALA 65 Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.11 1weu n ALA 65 Cb 1.02 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.98 0.00 0.00 0.00 0.24 -1.16 -5.04 118.33 110.39 1weu n VAL 67 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1weu n VAL 67 Cb 0.46 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 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 2.75 0.68 2.34 7.63 0.00 0.67 -5.09 105.19 114.16 1weu n GLY 68 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 1.78 -0.11 0.99 4.77 -0.72 -4.97 117.00 118.74 1weu n LEU 69 Ca 0.00 -5.07 0.03 0.00 -0.03 0.00 0.00 56.01 50.94 1weu n LEU 69 Cb 0.00 0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1weu n LEU 69 CO 0.00 2.13 0.22 0.41 -1.33 0.00 0.00 177.39 178.82 1weu n THR 70 N 0.89 -0.13 -4.03 -5.08 -1.04 -1.26 -4.16 114.28 99.48 1weu n THR 70 Ca 0.25 0.67 -0.12 0.00 -2.04 0.00 0.00 64.05 62.82 1weu n THR 70 Cb 0.50 -0.96 -0.12 0.00 -1.82 0.00 0.00 70.33 67.93 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1weu s THR 71 N -5.23 0.30 -0.22 12.58 -4.23 -1.26 -5.06 115.64 112.52 1weu s THR 71 Ca -0.04 -0.69 -0.36 0.00 -1.18 0.00 0.00 61.69 59.42 1weu s THR 71 Cb 0.08 -0.36 -0.12 0.00 1.34 0.00 0.00 72.50 73.44 1weu s THR 71 CO 0.23 -0.26 1.96 1.17 -0.54 0.00 0.00 174.62 177.18 1weu n LYS 72 N 2.04 1.59 0.22 3.99 4.81 -1.26 -4.83 118.16 124.72 1weu n LYS 72 Ca -0.20 0.54 0.09 0.00 -0.87 0.00 0.00 58.31 57.88 1weu n LYS 72 Cb 0.56 -2.49 0.50 0.00 0.02 0.00 0.00 35.03 33.62 1weu n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1weu h PRO 73 N 9.97 0.00 -6.67 1.64 0.13 -1.91 -3.47 132.00 131.69 1weu h PRO 73 Ca -0.41 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.37 1weu h PRO 73 Cb 1.30 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1weu h PRO 73 CO 0.97 0.24 -0.56 -2.13 -0.23 0.00 0.00 178.00 176.29 1weu n ARG 74 N -3.51 -0.77 0.00 0.86 0.00 -1.26 -4.67 116.66 107.31 1weu n ARG 74 Ca -0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1weu n ARG 74 Cb 0.40 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.38 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1weu n GLY 75 N -1.74 0.77 2.39 5.14 0.00 -1.26 -5.06 105.19 105.42 1weu n GLY 75 Ca -0.12 0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 1.75 -3.84 1.61 4.76 -1.26 -4.93 118.16 116.26 1weu n LYS 76 Ca 0.00 -3.98 -0.36 0.00 -2.87 0.00 0.00 58.31 51.10 1weu n LYS 76 Cb 0.00 -1.80 -0.07 0.00 -1.84 0.00 0.00 35.03 31.32 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 -2.20 3.50 -0.01 2.13 -0.00 -1.26 -4.98 118.94 116.10 1weu s TRP 77 Ca 0.40 0.42 0.07 0.00 -0.00 0.00 0.00 56.10 56.99 1weu s TRP 77 Cb 0.22 -2.03 -0.02 0.00 -0.00 0.00 0.00 33.47 31.64 1weu s TRP 77 CO -0.08 0.53 -0.23 -0.06 -0.00 0.00 0.00 176.95 177.10 1weu s PHE 78 N -0.40 2.08 0.76 5.86 0.40 -1.26 -1.16 117.98 124.26 1weu s PHE 78 Ca 0.12 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.92 1weu s PHE 78 Cb -0.12 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.14 1weu s PHE 78 CO 0.01 -0.03 1.16 0.00 0.70 0.00 0.00 175.22 177.07 1weu n PRO 80 N -3.11 0.49 -0.04 0.00 -0.04 -1.26 -2.16 135.00 128.88 1weu n PRO 80 Ca 0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.55 1weu n PRO 80 Cb 0.51 -1.11 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.61 1.63 -0.10 0.54 1.74 -1.26 -4.51 116.66 114.10 1weu n ARG 81 Ca 0.03 -0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 1weu n ARG 81 Cb 0.01 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.03 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 -0.95 -0.54 0.22 0.00 0.87 -1.76 -1.31 113.55 110.08 1weu h SER 83 Ca -0.32 0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1weu h SER 83 Cb 1.32 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 63.66 1weu h SER 83 CO -0.18 -0.23 -0.53 -0.61 -0.53 0.00 0.00 176.83 174.75 1weu h GLN 84 N 0.04 -0.80 -6.17 2.24 4.15 -1.79 -3.43 115.11 109.36 1weu h GLN 84 Ca 0.41 0.05 -0.57 0.00 0.77 0.00 0.00 58.65 59.32 1weu h GLN 84 Cb 0.70 0.18 0.21 0.00 0.21 0.00 0.00 27.48 28.77 1weu h GLN 84 CO -0.75 -0.53 -1.26 -1.91 -1.93 0.00 0.00 178.83 172.44 1weu n GLU 85 N -5.51 0.04 -0.07 1.69 2.13 -0.49 -4.93 120.64 113.50 1weu n GLU 85 Ca -0.09 0.02 -0.15 0.00 0.66 0.00 0.00 57.16 57.60 1weu n GLU 85 Cb 0.43 -1.21 -0.12 0.00 0.27 0.00 0.00 31.44 30.81 1weu n GLU 85 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1weu h SER 86 N -0.56 0.00 -5.00 4.31 0.87 -1.83 -3.49 113.55 107.84 1weu h SER 86 Ca -0.43 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.23 1weu h SER 86 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1weu h SER 86 CO 0.34 1.05 0.00 0.61 -0.53 0.00 0.00 176.83 178.30 1weu n GLY 87 N 1.59 3.08 3.68 5.77 0.00 -1.26 -5.09 105.19 112.95 1weu n GLY 87 Ca -0.13 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 1weu n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1weu s PRO 88 N -3.53 0.50 -0.06 1.61 0.04 -1.26 -5.07 135.00 127.23 1weu s PRO 88 Ca 0.00 0.55 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1weu s PRO 88 Cb 0.00 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1weu s PRO 88 CO 0.00 -2.69 -0.15 -1.12 0.04 0.00 0.00 177.00 173.07 1weu s SER 89 N -3.45 2.06 0.46 6.66 0.01 -1.26 -5.14 113.70 113.04 1weu s SER 89 Ca 0.65 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.60 1weu s SER 89 Cb -0.19 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 1weu s SER 89 CO 0.58 0.09 0.01 -0.94 0.41 0.00 0.00 173.24 173.39 1weu s SER 90 N 0.38 3.91 0.00 2.44 1.04 -1.26 -5.36 113.70 114.84 1weu s SER 90 Ca -0.11 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.78 1weu s SER 90 Cb -0.14 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1weu s SER 90 CO 0.04 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.17