#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 -0.23 -0.28 1.61 1.04 -1.26 -5.18 113.70 109.40 1weu s SER 2 Ca 0.00 -0.27 -0.25 0.00 0.48 0.00 0.00 55.95 55.91 1weu s SER 2 Cb 0.00 0.44 0.15 0.00 0.10 0.00 0.00 66.02 66.71 1weu s SER 2 CO 0.00 -0.78 1.20 -0.55 0.98 0.00 0.00 173.24 174.09 1weu s SER 3 N -2.80 -0.28 0.06 7.02 0.15 -1.26 -5.19 113.70 111.40 1weu s SER 3 Ca 0.10 0.52 0.01 0.00 0.70 0.00 0.00 55.95 57.28 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 -0.11 0.02 0.61 1.20 0.00 0.00 173.24 174.95 1weu n GLY 4 N 1.84 3.98 3.88 9.45 0.00 -1.26 -5.18 105.19 117.90 1weu n GLY 4 Ca -0.11 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.38 -0.02 0.11 1.61 0.15 -1.26 -5.20 113.70 107.72 1weu s SER 5 Ca 0.03 -0.34 -0.25 0.00 0.70 0.00 0.00 55.95 56.10 1weu s SER 5 Cb 0.00 0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 1weu s SER 5 CO 0.02 -0.53 1.13 -0.94 1.20 0.00 0.00 173.24 174.13 1weu s SER 6 N -3.50 -0.00 0.02 5.45 1.04 -1.26 -5.20 113.70 110.26 1weu s SER 6 Ca 0.24 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 1weu s SER 6 Cb -0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1weu s SER 6 CO 0.01 -0.72 0.03 0.61 0.98 0.00 0.00 173.24 174.14 1weu n GLY 7 N -0.76 2.38 3.64 7.32 0.00 -1.26 -5.18 105.19 111.33 1weu n GLY 7 Ca -0.01 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 1weu n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weu s SER 8 N -1.09 -0.68 0.98 1.61 0.01 -1.26 -5.18 113.70 108.09 1weu s SER 8 Ca 0.01 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1weu s SER 8 Cb -0.00 1.24 0.00 0.00 0.21 0.00 0.00 66.02 67.47 1weu s SER 8 CO 0.01 -0.20 0.00 -0.81 0.41 0.00 0.00 173.24 172.65 1weu n PRO 9 N 3.28 -0.98 -3.87 12.44 -0.04 -1.26 -5.11 135.00 139.47 1weu n PRO 9 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 1weu n PRO 9 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1weu n PRO 9 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1weu s GLU 10 N -2.94 2.02 0.31 0.54 0.41 -1.26 -5.19 118.70 112.60 1weu s GLU 10 Ca 0.00 -1.33 0.01 0.00 -0.41 0.00 0.00 54.97 53.25 1weu s GLU 10 Cb 0.00 0.59 -0.02 0.00 -1.78 0.00 0.00 34.13 32.92 1weu s GLU 10 CO 0.00 -0.93 0.35 0.71 -0.49 0.00 0.00 175.26 174.90 1weu s TYR 11 N -2.98 1.34 0.00 1.61 2.02 -1.26 -5.19 117.35 112.89 1weu s TYR 11 Ca 0.16 -1.44 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 1weu s TYR 11 Cb -0.05 -0.40 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 1weu s TYR 11 CO 0.11 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.54 1weu n GLY 12 N -0.54 4.74 3.64 0.71 0.00 -1.26 -5.18 105.19 107.30 1weu n GLY 12 Ca 0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.60 1weu n GLY 12 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1weu s MET 13 N 0.33 0.40 0.88 1.61 1.75 -1.26 -5.18 119.30 117.82 1weu s MET 13 Ca 0.00 0.60 -0.15 0.00 -1.25 0.00 0.00 55.69 54.89 1weu s MET 13 Cb 0.00 0.12 0.22 0.00 2.84 0.00 0.00 34.83 38.01 1weu s MET 13 CO 0.00 -0.07 0.77 -0.35 -0.65 0.00 0.00 175.02 174.73 1weu n PRO 14 N 3.12 -2.55 -3.47 4.11 -0.04 -1.26 -5.10 135.00 129.82 1weu n PRO 14 Ca -0.16 -1.24 -0.13 0.00 -0.04 0.00 0.00 63.50 61.93 1weu n PRO 14 Cb 0.57 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 1weu n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1weu n SER 15 N -4.34 -0.64 -4.06 3.54 3.41 -1.26 -5.17 113.62 105.10 1weu n SER 15 Ca 0.11 -2.47 -0.22 0.00 -0.26 0.00 0.00 58.87 56.03 1weu n SER 15 Cb 0.42 1.36 -0.15 0.00 -0.26 0.00 0.00 64.21 65.58 1weu n SER 15 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1weu s VAL 16 N -2.87 0.99 0.45 -3.33 1.01 -1.26 -5.15 120.40 110.23 1weu s VAL 16 Ca 0.26 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.81 1weu s VAL 16 Cb 0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1weu s VAL 16 CO 0.18 0.29 0.42 0.42 0.00 0.00 0.00 175.10 176.41 1weu s THR 17 N -0.04 2.47 0.32 3.92 -4.23 -1.26 -5.14 115.64 111.67 1weu s THR 17 Ca 0.00 -1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 58.99 1weu s THR 17 Cb -0.07 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1weu s THR 17 CO 0.00 0.00 0.78 0.12 -0.54 0.00 0.00 174.62 174.98 1weu s PHE 18 N -2.53 -0.03 0.00 3.99 5.36 -1.26 -5.19 117.98 118.32 1weu s PHE 18 Ca 0.47 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 1weu s PHE 18 Cb -0.03 0.77 0.00 0.00 -0.34 0.00 0.00 43.02 43.42 1weu s PHE 18 CO 0.28 -1.37 0.00 0.41 -1.46 0.00 0.00 175.22 173.08 1weu n GLY 19 N -0.50 2.78 3.51 13.12 0.00 -1.26 -5.19 105.19 117.65 1weu n GLY 19 Ca -0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1weu n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 20 N 0.00 -0.37 -0.01 1.61 0.15 -1.26 -5.17 113.70 108.64 1weu s SER 20 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1weu s SER 20 Cb 0.00 0.38 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 1weu s SER 20 CO 0.00 -0.60 -0.00 -0.69 1.20 0.00 0.00 173.24 173.15 1weu s VAL 21 N -2.87 0.09 0.20 4.45 1.01 -1.26 -5.16 120.40 116.86 1weu s VAL 21 Ca 0.04 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.18 1weu s VAL 21 Cb -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1weu s VAL 21 CO -0.08 0.08 -0.24 -1.00 0.00 0.00 0.00 175.10 173.86 1weu s HIS 22 N 0.50 2.29 0.19 5.22 3.76 -1.26 -5.12 115.29 120.88 1weu s HIS 22 Ca -0.05 -0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 1weu s HIS 22 Cb -0.07 -1.12 -0.09 0.00 1.11 0.00 0.00 32.58 32.41 1weu s HIS 22 CO -0.01 0.51 1.30 -1.25 -0.85 0.00 0.00 174.74 174.45 1weu s PRO 23 N -2.74 4.39 0.19 8.40 0.04 -1.26 -5.03 135.00 138.99 1weu s PRO 23 Ca 0.21 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1weu s PRO 23 Cb -0.08 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.28 1weu s PRO 23 CO 0.10 -0.25 0.45 0.45 0.04 0.00 0.00 177.00 177.79 1weu s SER 24 N 0.35 -0.16 -0.32 6.66 0.15 -1.26 -5.14 113.70 113.98 1weu s SER 24 Ca 0.57 -0.61 0.01 0.00 0.70 0.00 0.00 55.95 56.62 1weu s SER 24 Cb -0.36 0.53 0.10 0.00 -1.71 0.00 0.00 66.02 64.58 1weu s SER 24 CO 0.38 -1.00 0.08 -0.62 1.20 0.00 0.00 173.24 173.27 1weu s ASP 25 N -2.90 4.34 -0.14 5.45 2.15 -1.26 -5.08 116.67 119.22 1weu s ASP 25 Ca 0.12 -1.85 -0.03 0.00 0.43 0.00 0.00 52.55 51.22 1weu s ASP 25 Cb 0.00 -1.19 0.05 0.00 -0.30 0.00 0.00 42.92 41.48 1weu s ASP 25 CO -0.02 -0.40 0.04 -0.69 -0.17 0.00 0.00 175.17 173.93 1weu s VAL 26 N 1.31 0.30 1.04 1.11 1.01 -1.26 -5.14 120.40 118.77 1weu s VAL 26 Ca 0.10 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1weu s VAL 26 Cb -0.18 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.54 1weu s VAL 26 CO -0.18 -0.07 0.22 0.18 0.00 0.00 0.00 175.10 175.25 1weu n LEU 27 N 5.15 -1.28 -3.70 3.92 4.77 -1.26 -5.02 117.00 119.57 1weu n LEU 27 Ca -0.08 0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.76 1weu n LEU 27 Cb 0.49 -1.08 -0.17 0.00 -2.33 0.00 0.00 43.42 40.32 1weu n LEU 27 CO 0.11 -3.37 -0.36 1.51 -1.33 0.00 0.00 177.39 173.96 1weu s ASP 28 N -1.93 1.95 0.67 -1.43 -4.77 -1.26 -5.13 116.67 104.77 1weu s ASP 28 Ca 0.57 -0.33 -0.17 0.00 -3.30 0.00 0.00 52.55 49.31 1weu s ASP 28 Cb -0.17 -0.35 -0.13 0.00 -1.09 0.00 0.00 42.92 41.18 1weu s ASP 28 CO 0.67 -0.27 -0.19 0.23 0.70 0.00 0.00 175.17 176.31 1weu n MET 29 N 5.19 0.06 -2.05 2.11 2.81 -1.26 -4.75 117.12 119.23 1weu n MET 29 Ca -0.06 0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.46 1weu n MET 29 Cb 0.49 -1.15 -0.03 0.00 -0.71 0.00 0.00 33.22 31.82 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 -1.59 2.84 1.25 0.03 0.04 -1.26 -4.98 135.00 131.34 1weu s PRO 30 Ca 0.54 0.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.22 1weu s PRO 30 Cb -0.39 -4.32 0.28 0.00 0.04 0.00 0.00 34.50 30.11 1weu s PRO 30 CO 0.69 -2.46 0.70 1.33 0.04 0.00 0.00 177.00 177.29 1weu n VAL 31 N 7.25 0.00 -4.29 -0.36 0.24 -1.26 -5.05 118.33 114.86 1weu n VAL 31 Ca 0.21 -0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 62.05 1weu n VAL 31 Cb 0.51 -0.86 -0.11 0.00 -1.47 0.00 0.00 33.84 31.90 1weu n VAL 31 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1weu s ASP 32 N -2.44 2.31 0.00 -1.34 1.01 -1.26 -5.02 116.67 109.93 1weu s ASP 32 Ca 0.62 -0.85 0.11 0.00 0.71 0.00 0.00 52.55 53.14 1weu s ASP 32 Cb -0.17 -0.11 0.66 0.00 1.01 0.00 0.00 42.92 44.32 1weu s ASP 32 CO 0.59 -0.11 1.10 -0.81 0.21 0.00 0.00 175.17 176.15 1weu n PRO 33 N 0.36 0.49 -0.13 8.23 -0.04 -1.26 -3.35 135.00 139.29 1weu n PRO 33 Ca -0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 1weu n PRO 33 Cb 0.57 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.53 -1.94 3.54 4.21 -2.03 -3.45 115.58 116.44 1weu h ASN 34 Ca 0.00 -0.14 -0.56 0.00 1.21 0.00 0.00 56.30 56.81 1weu h ASN 34 Cb 0.00 -0.14 0.20 0.00 -1.12 0.00 0.00 38.32 37.26 1weu h ASN 34 CO 0.00 0.52 -1.43 -0.62 -1.29 0.00 0.00 177.43 174.62 1weu n GLU 35 N -4.68 0.00 -1.58 0.81 -0.58 -1.21 -4.89 120.64 108.51 1weu n GLU 35 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 1weu n GLU 35 Cb 0.12 -0.97 0.06 0.00 -0.57 0.00 0.00 31.44 30.08 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 -1.40 2.61 0.07 3.49 0.04 -1.26 -4.83 135.00 133.72 1weu s PRO 36 Ca 0.48 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.90 1weu s PRO 36 Cb -0.35 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1weu s PRO 36 CO 0.71 -1.39 -0.18 0.95 0.04 0.00 0.00 177.00 177.14 1weu s THR 37 N -2.53 1.42 0.11 1.26 -4.23 -1.26 -4.11 115.64 106.29 1weu s THR 37 Ca 0.65 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1weu s THR 37 Cb -0.19 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1weu s THR 37 CO 0.47 -0.06 0.00 -1.22 -0.54 0.00 0.00 174.62 173.26 1weu n TYR 38 N 1.39 -0.40 -0.96 3.99 4.02 -1.19 -4.90 117.16 119.11 1weu n TYR 38 Ca -0.19 0.07 -0.33 0.00 -0.01 0.00 0.00 57.90 57.44 1weu n TYR 38 Cb 0.54 0.11 0.03 0.00 -0.02 0.00 0.00 39.34 40.00 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 -0.57 0.66 -1.96 0.00 4.07 -1.96 0.93 115.31 116.48 1weu h LEU 40 Ca -0.38 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1weu h LEU 40 Cb 1.19 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1weu h LEU 40 CO 0.26 0.41 0.12 0.00 -1.08 0.00 0.00 178.44 178.15 1weu n HIS 42 N -2.62 -0.73 -4.26 0.00 -0.00 0.32 -5.06 115.22 102.87 1weu n HIS 42 Ca -0.02 0.29 -0.25 0.00 0.46 0.00 0.00 57.72 58.20 1weu n HIS 42 Cb 0.16 -2.60 -0.08 0.00 -0.12 0.00 0.00 29.99 27.35 1weu n HIS 42 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1weu s GLN 43 N -4.82 2.30 0.31 1.57 -0.21 -1.26 -4.83 119.66 112.71 1weu s GLN 43 Ca 0.07 -1.29 -0.29 0.00 0.02 0.00 0.00 55.36 53.87 1weu s GLN 43 Cb -0.03 -2.23 -0.10 0.00 1.00 0.00 0.00 33.01 31.65 1weu s GLN 43 CO 0.21 0.40 1.31 0.54 -2.12 0.00 0.00 175.29 175.64 1weu s VAL 44 N -2.03 2.81 -0.06 1.09 0.11 -1.26 -3.14 120.40 117.92 1weu s VAL 44 Ca 0.29 0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 59.82 1weu s VAL 44 Cb -0.08 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1weu s VAL 44 CO 0.19 0.17 1.27 -0.94 -3.33 0.00 0.00 175.10 172.46 1weu s SER 45 N -0.34 6.97 -0.07 3.54 1.04 -1.26 -4.92 113.70 118.67 1weu s SER 45 Ca 0.50 1.88 -0.11 0.00 0.48 0.00 0.00 55.95 58.70 1weu s SER 45 Cb -0.39 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.14 1weu s SER 45 CO 0.50 -0.65 -0.21 0.00 0.98 0.00 0.00 173.24 173.85 1weu n TYR 46 N 5.53 0.00 0.12 5.02 4.11 -1.26 -5.08 117.16 125.60 1weu n TYR 46 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.02 1weu n TYR 46 Cb 0.45 -0.30 0.00 0.00 -0.00 0.00 0.00 39.34 39.49 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 2.20 -1.33 3.54 -7.48 0.00 -1.26 -5.06 105.19 95.80 1weu n GLY 47 Ca -0.08 0.33 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 1weu n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1weu n GLU 48 N -3.03 0.39 -3.95 1.61 4.71 -1.26 -4.83 120.64 114.28 1weu n GLU 48 Ca 0.00 -0.59 -0.08 0.00 -0.01 0.00 0.00 57.16 56.47 1weu n GLU 48 Cb 0.00 -2.88 -0.09 0.00 -1.01 0.00 0.00 31.44 27.46 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 8.35 0.68 0.00 3.49 -1.94 -1.26 -3.88 119.30 124.74 1weu s MET 49 Ca 1.05 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 1weu s MET 49 Cb -0.35 0.26 0.00 0.00 2.01 0.00 0.00 34.83 36.75 1weu s MET 49 CO 0.23 -0.18 0.00 0.44 -0.01 0.00 0.00 175.02 175.50 1weu n ILE 50 N 0.29 0.00 -2.12 2.53 -0.00 -1.25 -4.76 119.36 114.05 1weu n ILE 50 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1weu n ILE 50 Cb 0.61 -0.63 0.00 0.00 -0.00 0.00 0.00 39.64 39.61 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 2.48 -5.44 3.46 3.28 0.00 -1.26 -4.69 105.19 103.01 1weu n GLY 51 Ca 0.00 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1weu n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1weu n ASP 53 N -0.76 4.71 -4.46 0.00 2.03 -1.17 -4.91 116.55 111.98 1weu n ASP 53 Ca 0.09 -2.71 -0.37 0.00 0.52 0.00 0.00 54.79 52.31 1weu n ASP 53 Cb 0.51 -0.58 -0.12 0.00 -0.72 0.00 0.00 41.12 40.22 1weu n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1weu s ASN 54 N -1.15 5.41 0.00 1.67 2.47 -1.26 -4.96 114.94 117.13 1weu s ASN 54 Ca 0.48 -0.30 0.14 0.00 0.42 0.00 0.00 52.86 53.60 1weu s ASN 54 Cb 0.34 -1.98 0.84 0.00 -1.45 0.00 0.00 41.25 39.01 1weu s ASN 54 CO 0.17 -0.10 1.26 -0.81 -3.72 0.00 0.00 177.10 173.90 1weu n PRO 55 N 4.96 0.49 -0.02 0.43 -0.04 -1.26 -2.09 135.00 137.47 1weu n PRO 55 Ca -0.15 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.34 1weu n PRO 55 Cb 0.51 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 1weu n PRO 55 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1weu n ASP 56 N -0.95 1.63 -4.52 3.54 9.92 -1.26 -5.01 116.55 119.89 1weu n ASP 56 Ca 0.11 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.99 1weu n ASP 56 Cb 0.05 1.42 0.05 0.00 -0.64 0.00 0.00 41.12 42.00 1weu n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1weu n SER 58 N -0.16 1.63 -0.11 0.00 2.88 -1.26 -4.63 113.62 111.96 1weu n SER 58 Ca 0.12 0.06 -0.22 0.00 -1.33 0.00 0.00 58.87 57.51 1weu n SER 58 Cb 0.48 -0.33 -0.11 0.00 -0.75 0.00 0.00 64.21 63.51 1weu n SER 58 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1weu n ILE 59 N -3.24 1.53 -4.34 2.46 5.41 -1.26 -4.96 119.36 114.96 1weu n ILE 59 Ca -0.36 -0.06 -0.39 0.00 1.00 0.00 0.00 62.75 62.94 1weu n ILE 59 Cb 1.04 -2.04 -0.06 0.00 -0.71 0.00 0.00 39.64 37.87 1weu n ILE 59 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1weu n GLU 60 N -4.42 -1.54 -3.62 0.38 0.28 -1.26 -4.88 120.64 105.58 1weu n GLU 60 Ca -0.34 0.20 -0.04 0.00 -0.16 0.00 0.00 57.16 56.83 1weu n GLU 60 Cb 0.68 -4.83 -0.06 0.00 1.43 0.00 0.00 31.44 28.66 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 -3.19 -0.87 0.39 -1.84 0.52 -1.26 -3.06 118.94 109.62 1weu s TRP 61 Ca 0.77 1.68 -0.13 0.00 0.02 0.00 0.00 56.10 58.44 1weu s TRP 61 Cb -0.44 0.52 0.05 0.00 -1.15 0.00 0.00 33.47 32.45 1weu s TRP 61 CO 0.94 -0.43 0.74 -0.06 0.02 0.00 0.00 176.95 178.16 1weu s PHE 62 N 1.76 0.32 0.48 -1.98 0.08 -1.26 -2.83 117.98 114.55 1weu s PHE 62 Ca -0.08 -0.93 0.07 0.00 0.12 0.00 0.00 56.93 56.10 1weu s PHE 62 Cb -0.05 0.68 0.01 0.00 -0.57 0.00 0.00 43.02 43.08 1weu s PHE 62 CO -0.18 -1.52 0.39 -1.01 -0.10 0.00 0.00 175.22 172.80 1weu s HIS 63 N -2.33 2.11 -0.05 0.36 3.76 -1.26 -3.76 115.29 114.12 1weu s HIS 63 Ca 0.18 -0.68 -0.10 0.00 -0.15 0.00 0.00 55.06 54.31 1weu s HIS 63 Cb -0.04 -2.03 -0.30 0.00 1.11 0.00 0.00 32.58 31.32 1weu s HIS 63 CO 0.14 -0.31 0.66 0.74 -0.85 0.00 0.00 174.74 175.12 1weu h PHE 64 N 0.90 0.70 0.00 1.40 0.04 -1.83 -3.30 116.94 114.85 1weu h PHE 64 Ca -0.39 -0.51 0.00 0.00 2.80 0.00 0.00 57.97 59.87 1weu h PHE 64 Cb 1.28 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1weu h PHE 64 CO 0.74 1.68 0.00 0.00 -0.60 0.00 0.00 178.31 180.13 1weu n ALA 65 N -2.86 2.39 0.08 2.45 0.00 -1.26 0.67 120.51 121.98 1weu n ALA 65 Ca -0.25 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.22 1weu n ALA 65 Cb 1.07 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.46 0.00 0.00 0.00 0.24 -1.09 -5.01 118.33 111.02 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 0.11 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 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 1.53 0.63 2.40 7.63 0.00 0.21 -5.10 105.19 112.50 1weu n GLY 68 Ca 0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 1.59 -0.10 0.99 4.77 -0.93 -4.99 117.00 118.33 1weu n LEU 69 Ca 0.00 -4.94 -0.00 0.00 -0.03 0.00 0.00 56.01 51.03 1weu n LEU 69 Cb 0.00 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1weu n LEU 69 CO 0.00 1.98 0.15 0.41 -1.33 0.00 0.00 177.39 178.60 1weu n THR 70 N 1.58 -0.14 -4.36 -5.08 -1.04 -1.26 -4.40 114.28 99.57 1weu n THR 70 Ca 0.25 0.60 -0.18 0.00 -2.04 0.00 0.00 64.05 62.68 1weu n THR 70 Cb 0.46 -0.80 -0.10 0.00 -1.82 0.00 0.00 70.33 68.07 1weu n THR 70 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1weu s THR 71 N -5.24 0.85 -0.11 12.58 2.01 -1.26 -5.03 115.64 119.44 1weu s THR 71 Ca -0.04 -2.01 -0.29 0.00 0.31 0.00 0.00 61.69 59.67 1weu s THR 71 Cb 0.05 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 1weu s THR 71 CO 0.18 -0.07 1.92 -0.75 -0.69 0.00 0.00 174.62 175.22 1weu s LYS 72 N -3.95 3.76 0.09 4.92 2.20 -1.26 -4.89 119.74 120.61 1weu s LYS 72 Ca 0.35 2.16 -0.16 0.00 -0.36 0.00 0.00 55.97 57.97 1weu s LYS 72 Cb 0.08 -4.18 -0.10 0.00 -1.51 0.00 0.00 37.83 32.12 1weu s LYS 72 CO 0.13 -1.37 1.41 -1.00 -0.36 0.00 0.00 175.35 174.16 1weu h PRO 73 N 11.83 0.64 -3.53 4.03 0.13 -1.91 -3.46 132.00 139.74 1weu h PRO 73 Ca -0.42 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1weu h PRO 73 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1weu h PRO 73 CO 0.96 0.94 0.00 2.89 -0.23 0.00 0.00 178.00 182.56 1weu n ARG 74 N -4.32 -2.02 -2.68 0.86 1.85 -1.26 -4.74 116.66 104.35 1weu n ARG 74 Ca -0.04 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.54 1weu n ARG 74 Cb 0.45 -4.25 -0.02 0.00 -1.05 0.00 0.00 32.46 27.59 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1weu n GLY 75 N -0.25 5.84 3.17 2.89 0.00 -1.26 -4.88 105.19 110.69 1weu n GLY 75 Ca 0.00 -2.78 -0.19 0.00 0.00 0.00 0.00 46.02 43.05 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 -0.38 -6.34 -2.40 1.61 4.76 -1.26 -4.93 118.16 109.22 1weu n LYS 76 Ca 0.36 0.67 -0.43 0.00 -2.87 0.00 0.00 58.31 56.03 1weu n LYS 76 Cb 0.54 -5.22 -0.02 0.00 -1.84 0.00 0.00 35.03 28.49 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 -3.26 2.59 -0.20 2.13 -0.00 -1.26 -4.86 118.94 114.08 1weu s TRP 77 Ca 0.44 0.79 -0.13 0.00 -0.00 0.00 0.00 56.10 57.20 1weu s TRP 77 Cb -0.19 -4.06 -0.05 0.00 -0.00 0.00 0.00 33.47 29.17 1weu s TRP 77 CO 0.59 -1.80 0.26 -0.06 -0.00 0.00 0.00 176.95 175.93 1weu s PHE 78 N 4.74 3.39 0.81 5.86 0.40 -1.26 -3.03 117.98 128.88 1weu s PHE 78 Ca 0.58 0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 57.21 1weu s PHE 78 Cb -0.15 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 1weu s PHE 78 CO 0.27 0.13 0.34 0.00 0.70 0.00 0.00 175.22 176.66 1weu n PRO 80 N -0.65 0.49 -0.06 0.00 -0.04 -1.26 -2.21 135.00 131.27 1weu n PRO 80 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1weu n PRO 80 Cb 0.51 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.68 1.40 -0.09 0.54 1.74 -1.26 -4.47 116.66 113.84 1weu n ARG 81 Ca 0.04 -0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.91 1weu n ARG 81 Cb 0.02 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.00 0.08 -0.69 0.00 0.87 -1.76 0.39 113.55 111.43 1weu h SER 83 Ca -0.24 0.03 -0.41 0.00 -1.23 0.00 0.00 61.79 59.94 1weu h SER 83 Cb 1.13 0.02 -0.17 0.00 -0.44 0.00 0.00 62.40 62.94 1weu h SER 83 CO -0.15 -0.02 0.47 1.67 -0.53 0.00 0.00 176.83 178.28 1weu n GLN 84 N -4.23 2.06 -3.75 2.24 -0.06 -1.26 -4.85 117.38 107.54 1weu n GLN 84 Ca 0.32 -1.98 -0.13 0.00 -2.00 0.00 0.00 57.00 53.22 1weu n GLN 84 Cb 1.44 -1.83 -0.11 0.00 -4.06 0.00 0.00 30.24 25.69 1weu n GLN 84 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1weu s GLU 85 N -2.06 0.42 -0.21 3.69 0.41 0.14 -5.04 118.70 116.05 1weu s GLU 85 Ca 0.42 0.52 0.01 0.00 -0.41 0.00 0.00 54.97 55.51 1weu s GLU 85 Cb 0.31 0.19 0.04 0.00 -1.78 0.00 0.00 34.13 32.90 1weu s GLU 85 CO -0.06 -0.06 -0.11 0.45 -0.49 0.00 0.00 175.26 174.99 1weu s SER 86 N 0.25 3.55 0.32 -0.19 0.15 -1.26 -5.03 113.70 111.49 1weu s SER 86 Ca -0.00 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.69 1weu s SER 86 Cb -0.03 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 1weu s SER 86 CO -0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1weu n GLY 87 N 4.64 -1.71 3.58 9.45 0.00 -1.26 -4.49 105.19 115.40 1weu n GLY 87 Ca -0.15 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.16 3.15 1.02 1.61 0.04 -1.26 -4.97 135.00 131.44 1weu s PRO 88 Ca 0.00 1.09 -0.20 0.00 0.04 0.00 0.00 61.00 61.93 1weu s PRO 88 Cb 0.00 -4.23 -0.06 0.00 0.04 0.00 0.00 34.50 30.25 1weu s PRO 88 CO 0.00 -2.08 -0.58 -1.13 0.04 0.00 0.00 177.00 173.25 1weu n SER 89 N 10.80 -3.35 -3.80 6.66 3.41 -1.26 -5.01 113.62 121.08 1weu n SER 89 Ca 0.21 0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.73 1weu n SER 89 Cb 0.49 -0.82 -0.16 0.00 -0.26 0.00 0.00 64.21 63.46 1weu n SER 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1weu s SER 90 N -1.43 0.18 0.00 4.04 0.01 -1.26 -5.23 113.70 110.01 1weu s SER 90 Ca 0.46 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1weu s SER 90 Cb -0.08 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1weu s SER 90 CO 0.70 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.86