#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 0.15 1.61 1.04 -1.26 -5.20 113.70 110.04 1weu s SER 2 Ca 0.00 -0.27 -0.23 0.00 0.48 0.00 0.00 55.95 55.93 1weu s SER 2 Cb 0.00 0.22 0.08 0.00 0.10 0.00 0.00 66.02 66.41 1weu s SER 2 CO 0.00 -0.42 1.07 -0.94 0.98 0.00 0.00 173.24 173.93 1weu s SER 3 N -3.52 -0.01 -0.00 7.02 1.04 -1.26 -5.20 113.70 111.78 1weu s SER 3 Ca 0.24 -0.58 -0.24 0.00 0.48 0.00 0.00 55.95 55.85 1weu s SER 3 Cb 0.00 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1weu s SER 3 CO -0.00 -0.88 1.08 0.61 0.98 0.00 0.00 173.24 175.02 1weu n GLY 4 N -0.70 0.32 3.84 7.32 0.00 -1.26 -5.19 105.19 109.51 1weu n GLY 4 Ca -0.03 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.41 -0.05 0.04 1.61 0.15 -1.26 -5.19 113.70 105.59 1weu s SER 5 Ca 0.25 -0.72 -0.27 0.00 0.70 0.00 0.00 55.95 55.91 1weu s SER 5 Cb -0.01 0.59 0.10 0.00 -1.71 0.00 0.00 66.02 64.99 1weu s SER 5 CO -0.00 -1.15 1.21 -0.94 1.20 0.00 0.00 173.24 173.56 1weu s SER 6 N -3.20 -0.03 0.00 5.45 1.04 -1.26 -5.14 113.70 110.56 1weu s SER 6 Ca 0.18 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1weu s SER 6 Cb -0.03 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1weu s SER 6 CO 0.06 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1weu n GLY 7 N -0.71 0.57 2.27 7.32 0.00 -1.26 -5.06 105.19 108.32 1weu n GLY 7 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1weu n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1weu n SER 8 N -0.04 -2.97 -3.26 1.61 2.88 -1.26 -5.04 113.62 105.53 1weu n SER 8 Ca 0.00 -0.32 -0.22 0.00 -1.33 0.00 0.00 58.87 57.00 1weu n SER 8 Cb 0.00 -2.80 0.18 0.00 -0.75 0.00 0.00 64.21 60.84 1weu n SER 8 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1weu n PRO 9 N -2.47 -2.57 -4.15 -1.46 -0.04 -1.26 -5.10 135.00 117.95 1weu n PRO 9 Ca -0.10 -1.26 -0.14 0.00 -0.04 0.00 0.00 63.50 61.96 1weu n PRO 9 Cb 0.57 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 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 -4.79 1.58 0.19 0.54 2.02 -1.26 -5.19 118.70 111.79 1weu s GLU 10 Ca 0.51 -1.68 -0.05 0.00 0.02 0.00 0.00 54.97 53.77 1weu s GLU 10 Cb -0.05 0.37 -0.03 0.00 0.10 0.00 0.00 34.13 34.52 1weu s GLU 10 CO 0.39 -0.60 0.21 0.71 0.02 0.00 0.00 175.26 175.99 1weu s TYR 11 N -3.68 0.80 0.00 1.61 2.02 -1.26 -5.18 117.35 111.66 1weu s TYR 11 Ca 0.34 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.94 1weu s TYR 11 Cb 0.03 -0.30 0.00 0.00 -0.40 0.00 0.00 41.96 41.28 1weu s TYR 11 CO 0.17 -0.70 0.00 0.41 -1.57 0.00 0.00 175.55 173.86 1weu n GLY 12 N -0.25 4.82 3.37 0.71 0.00 -1.26 -5.18 105.19 107.41 1weu n GLY 12 Ca -0.02 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.39 1.00 0.69 1.61 -1.94 -1.26 -5.18 119.30 112.83 1weu s MET 13 Ca 0.00 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 53.58 1weu s MET 13 Cb 0.00 0.45 0.17 0.00 2.01 0.00 0.00 34.83 37.46 1weu s MET 13 CO 0.00 -0.36 0.61 -0.35 -0.01 0.00 0.00 175.02 174.91 1weu n PRO 14 N 0.42 -2.21 -4.15 2.03 -0.04 -1.26 -5.10 135.00 124.69 1weu n PRO 14 Ca -0.18 -0.97 -0.11 0.00 -0.04 0.00 0.00 63.50 62.19 1weu n PRO 14 Cb 0.60 -0.91 -0.09 0.00 -0.04 0.00 0.00 33.50 33.06 1weu n PRO 14 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1weu s SER 15 N -3.15 0.15 0.02 3.54 0.01 -1.26 -5.17 113.70 107.85 1weu s SER 15 Ca 0.40 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.41 1weu s SER 15 Cb -0.04 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.54 1weu s SER 15 CO 0.30 -0.85 0.05 0.54 0.41 0.00 0.00 173.24 173.70 1weu s VAL 16 N -4.10 4.49 0.11 3.43 0.11 -1.26 -5.12 120.40 118.05 1weu s VAL 16 Ca 0.32 -0.58 0.07 0.00 -2.93 0.00 0.00 61.98 58.85 1weu s VAL 16 Cb 0.06 -3.07 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 1weu s VAL 16 CO 0.08 0.29 -0.07 0.28 -3.33 0.00 0.00 175.10 172.35 1weu s THR 17 N -1.22 3.56 0.45 5.04 -1.32 -1.26 -5.14 115.64 115.76 1weu s THR 17 Ca 0.24 -1.22 0.07 0.00 -1.21 0.00 0.00 61.69 59.56 1weu s THR 17 Cb -0.12 -2.69 -0.01 0.00 -1.51 0.00 0.00 72.50 68.17 1weu s THR 17 CO 0.15 0.09 0.31 0.12 -2.21 0.00 0.00 174.62 173.09 1weu s PHE 18 N -1.30 2.35 0.23 9.09 5.36 -1.26 -5.15 117.98 127.31 1weu s PHE 18 Ca 0.23 -0.63 -0.21 0.00 -0.96 0.00 0.00 56.93 55.35 1weu s PHE 18 Cb -0.11 -2.02 0.04 0.00 -0.34 0.00 0.00 43.02 40.59 1weu s PHE 18 CO 0.15 -0.12 0.67 0.20 -1.46 0.00 0.00 175.22 174.66 1weu s GLY 19 N -4.10 -0.28 -0.04 13.12 0.00 -1.26 -5.18 107.32 109.59 1weu s GLY 19 Ca 0.41 -0.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.80 1weu s GLY 19 CO 0.24 -0.01 1.10 -0.45 0.00 0.00 0.00 173.10 173.98 1weu s SER 20 N -2.86 -0.18 -0.11 1.64 0.15 -1.26 -5.16 113.70 105.92 1weu s SER 20 Ca 0.07 -0.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 1weu s SER 20 Cb -0.04 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1weu s SER 20 CO -0.01 -0.47 -0.08 -0.69 1.20 0.00 0.00 173.24 173.19 1weu s VAL 21 N -2.76 3.59 0.28 4.45 1.01 -1.26 -5.10 120.40 120.61 1weu s VAL 21 Ca 0.10 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1weu s VAL 21 Cb 0.00 -2.51 -0.10 0.00 0.00 0.00 0.00 36.38 33.78 1weu s VAL 21 CO -0.04 0.55 1.25 -1.00 0.00 0.00 0.00 175.10 175.86 1weu s HIS 22 N -0.21 3.26 0.30 5.22 3.76 -1.26 -4.99 115.29 121.38 1weu s HIS 22 Ca 0.02 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.08 1weu s HIS 22 Cb -0.13 -3.54 -0.10 0.00 1.11 0.00 0.00 32.58 29.92 1weu s HIS 22 CO 0.03 -1.49 1.23 -1.25 -0.85 0.00 0.00 174.74 172.41 1weu s PRO 23 N -1.18 4.46 0.94 8.40 0.04 -1.26 -4.99 135.00 141.41 1weu s PRO 23 Ca 0.50 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.47 1weu s PRO 23 Cb -0.36 -3.12 0.05 0.00 0.04 0.00 0.00 34.50 31.10 1weu s PRO 23 CO 0.45 -0.04 0.49 0.45 0.04 0.00 0.00 177.00 178.39 1weu n SER 24 N 1.05 -1.79 -3.68 6.66 2.88 -1.26 -5.01 113.62 112.47 1weu n SER 24 Ca -0.00 0.35 -0.28 0.00 -1.33 0.00 0.00 58.87 57.61 1weu n SER 24 Cb 0.43 -1.24 -0.16 0.00 -0.75 0.00 0.00 64.21 62.49 1weu n SER 24 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1weu s ASP 25 N -2.06 3.00 -0.11 -3.46 1.01 -1.26 -5.11 116.67 108.68 1weu s ASP 25 Ca 0.58 -0.94 -0.04 0.00 0.71 0.00 0.00 52.55 52.86 1weu s ASP 25 Cb -0.22 -0.52 0.06 0.00 1.01 0.00 0.00 42.92 43.25 1weu s ASP 25 CO 0.66 -0.35 0.23 0.54 0.21 0.00 0.00 175.17 176.46 1weu s VAL 26 N 1.92 -0.34 0.28 -1.27 0.11 -1.26 -5.15 120.40 114.70 1weu s VAL 26 Ca 0.02 0.29 -0.24 0.00 -2.93 0.00 0.00 61.98 59.13 1weu s VAL 26 Cb -0.17 -0.39 -0.09 0.00 -1.53 0.00 0.00 36.38 34.20 1weu s VAL 26 CO -0.14 0.12 0.86 -1.48 -3.33 0.00 0.00 175.10 171.13 1weu s LEU 27 N 2.28 4.36 -0.16 2.54 0.05 -1.26 -5.06 118.68 121.43 1weu s LEU 27 Ca 0.01 1.68 -0.04 0.00 0.05 0.00 0.00 54.13 55.83 1weu s LEU 27 Cb -0.12 -3.83 0.08 0.00 -2.05 0.00 0.00 46.19 40.27 1weu s LEU 27 CO -0.08 -0.02 0.22 -1.81 -0.55 0.00 0.00 176.35 174.12 1weu s ASP 28 N -1.60 0.93 -0.12 1.48 1.01 -1.26 -5.14 116.67 111.97 1weu s ASP 28 Ca 0.47 0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.90 1weu s ASP 28 Cb -0.18 0.46 0.01 0.00 1.01 0.00 0.00 42.92 44.21 1weu s ASP 28 CO 0.23 -0.28 -0.21 -0.32 0.21 0.00 0.00 175.17 174.80 1weu s MET 29 N 2.35 2.77 0.44 8.23 1.75 -1.26 -5.14 119.30 128.45 1weu s MET 29 Ca 0.05 -0.77 -0.07 0.00 -1.25 0.00 0.00 55.69 53.64 1weu s MET 29 Cb -0.14 -2.21 0.11 0.00 2.84 0.00 0.00 34.83 35.43 1weu s MET 29 CO -0.10 0.03 0.39 -0.35 -0.65 0.00 0.00 175.02 174.35 1weu n PRO 30 N 3.93 -1.78 -1.00 4.11 -0.04 -1.26 -4.93 135.00 134.03 1weu n PRO 30 Ca -0.20 -0.62 -0.32 0.00 -0.04 0.00 0.00 63.50 62.32 1weu n PRO 30 Cb 0.52 -0.58 0.02 0.00 -0.04 0.00 0.00 33.50 33.41 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 -3.35 0.00 -4.41 0.52 3.14 -1.26 -4.98 118.33 108.00 1weu n VAL 31 Ca 0.05 -0.42 -0.26 0.00 -2.96 0.00 0.00 64.34 60.75 1weu n VAL 31 Cb 0.21 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.89 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 -0.85 3.71 0.00 6.55 1.01 -1.26 -5.00 116.67 120.82 1weu s ASP 32 Ca 0.44 -0.85 0.00 0.00 0.71 0.00 0.00 52.55 52.85 1weu s ASP 32 Cb -0.34 -0.39 0.00 0.00 1.01 0.00 0.00 42.92 43.19 1weu s ASP 32 CO 0.60 0.08 0.46 -0.81 0.21 0.00 0.00 175.17 175.72 1weu n PRO 33 N -0.14 0.49 -0.65 8.23 -0.04 -1.26 -4.16 135.00 137.47 1weu n PRO 33 Ca -0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.31 1weu n PRO 33 Cb 0.57 -1.03 -0.08 0.00 -0.04 0.00 0.00 33.50 32.93 1weu n PRO 33 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1weu n ASN 34 N -0.41 4.47 -4.24 3.54 4.13 -1.26 -4.80 115.26 116.69 1weu n ASN 34 Ca 0.00 -2.26 -0.15 0.00 1.68 0.00 0.00 54.58 53.84 1weu n ASN 34 Cb 0.01 -1.09 -0.10 0.00 -1.54 0.00 0.00 39.78 37.06 1weu n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1weu s GLU 35 N 0.85 1.02 0.69 3.52 2.02 -1.26 -5.15 118.70 120.38 1weu s GLU 35 Ca 0.30 -1.34 -0.14 0.00 0.02 0.00 0.00 54.97 53.81 1weu s GLU 35 Cb 0.14 -0.69 0.01 0.00 0.10 0.00 0.00 34.13 33.70 1weu s GLU 35 CO 0.00 0.10 1.11 -1.25 0.02 0.00 0.00 175.26 175.24 1weu s PRO 36 N -3.29 2.67 0.14 0.39 0.04 -1.26 -4.74 135.00 128.94 1weu s PRO 36 Ca 0.13 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.58 1weu s PRO 36 Cb -0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1weu s PRO 36 CO 0.01 -1.35 -0.19 0.95 0.04 0.00 0.00 177.00 176.46 1weu s THR 37 N -2.48 1.78 0.07 1.26 -4.23 -1.26 -3.83 115.64 106.94 1weu s THR 37 Ca 0.65 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1weu s THR 37 Cb -0.20 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1weu s THR 37 CO 0.45 -0.20 0.00 -1.22 -0.54 0.00 0.00 174.62 173.11 1weu n TYR 38 N 0.65 -0.48 -0.98 3.99 4.02 -1.22 -4.89 117.16 118.25 1weu n TYR 38 Ca -0.16 0.09 -0.37 0.00 -0.01 0.00 0.00 57.90 57.45 1weu n TYR 38 Cb 0.55 0.27 0.04 0.00 -0.02 0.00 0.00 39.34 40.19 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 -1.05 0.76 -0.43 0.00 3.38 -1.97 0.37 115.31 116.37 1weu h LEU 40 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1weu h LEU 40 Cb 1.33 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1weu h LEU 40 CO 0.23 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1weu n HIS 42 N -1.78 -1.67 -4.14 0.00 8.25 0.12 -5.03 115.22 110.96 1weu n HIS 42 Ca 0.01 0.70 -0.22 0.00 -0.26 0.00 0.00 57.72 57.95 1weu n HIS 42 Cb 0.08 -4.27 -0.06 0.00 1.12 0.00 0.00 29.99 26.86 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 -5.09 2.56 0.19 -0.41 -0.21 -1.26 -4.79 119.66 110.66 1weu s GLN 43 Ca 0.03 -1.31 -0.30 0.00 0.02 0.00 0.00 55.36 53.80 1weu s GLN 43 Cb -0.02 -2.33 -0.09 0.00 1.00 0.00 0.00 33.01 31.58 1weu s GLN 43 CO 0.54 0.29 1.36 0.54 -2.12 0.00 0.00 175.29 175.91 1weu s VAL 44 N -2.28 3.10 0.07 1.09 0.11 -1.26 -3.41 120.40 117.82 1weu s VAL 44 Ca 0.34 0.88 -0.31 0.00 -2.93 0.00 0.00 61.98 59.96 1weu s VAL 44 Cb -0.06 -3.56 -0.07 0.00 -1.53 0.00 0.00 36.38 31.16 1weu s VAL 44 CO 0.23 0.12 1.37 -0.94 -3.33 0.00 0.00 175.10 172.54 1weu s SER 45 N 0.51 6.87 -0.01 3.54 1.04 -1.25 -4.92 113.70 119.48 1weu s SER 45 Ca 0.59 2.21 -0.04 0.00 0.48 0.00 0.00 55.95 59.19 1weu s SER 45 Cb -0.38 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.15 1weu s SER 45 CO 0.37 -0.65 -0.08 0.00 0.98 0.00 0.00 173.24 173.87 1weu n TYR 46 N 4.40 0.00 0.00 5.02 4.11 -1.26 -5.07 117.16 124.36 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 0.43 -0.11 0.00 0.00 -0.00 0.00 0.00 39.34 39.66 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 2.69 -0.02 3.55 -7.48 0.00 -1.26 -5.07 105.19 97.60 1weu n GLY 47 Ca -0.03 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.33 2.30 0.18 1.61 2.02 -1.26 -4.88 118.70 117.36 1weu s GLU 48 Ca 0.00 0.85 -0.20 0.00 0.02 0.00 0.00 54.97 55.63 1weu s GLU 48 Cb 0.00 -4.57 0.05 0.00 0.10 0.00 0.00 34.13 29.71 1weu s GLU 48 CO 0.00 -3.18 0.57 -1.64 0.02 0.00 0.00 175.26 171.03 1weu s MET 49 N 7.72 1.36 0.00 1.61 -1.94 -1.26 -4.01 119.30 122.79 1weu s MET 49 Ca 0.82 -0.69 0.00 0.00 -1.71 0.00 0.00 55.69 54.11 1weu s MET 49 Cb -0.14 0.56 0.00 0.00 2.01 0.00 0.00 34.83 37.26 1weu s MET 49 CO 0.20 -0.59 0.00 0.44 -0.01 0.00 0.00 175.02 175.06 1weu n ILE 50 N -0.36 0.00 -1.37 2.53 -0.00 -1.25 -4.61 119.36 114.30 1weu n ILE 50 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1weu n ILE 50 Cb 0.63 -0.34 0.00 0.00 -0.00 0.00 0.00 39.64 39.94 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 1.47 -4.51 3.68 3.28 0.00 -1.26 -4.76 105.19 103.09 1weu n GLY 51 Ca 0.00 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 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 6.56 0.00 -2.87 0.00 3.58 -1.85 -3.41 116.42 118.44 1weu h ASP 53 Ca -0.45 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.44 1weu h ASP 53 Cb 1.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 1weu h ASP 53 CO 0.91 0.00 0.92 0.21 -2.88 0.00 0.00 179.24 178.41 1weu s ASN 54 N -6.63 6.90 0.29 2.28 2.47 -1.26 -4.91 114.94 114.08 1weu s ASN 54 Ca -0.05 1.81 0.07 0.00 0.42 0.00 0.00 52.86 55.12 1weu s ASN 54 Cb 0.17 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.87 1weu s ASN 54 CO 0.63 -0.78 1.68 1.55 -3.72 0.00 0.00 177.10 176.46 1weu h PRO 55 N 8.39 0.17 -0.68 0.43 0.13 -2.02 -3.08 132.00 135.34 1weu h PRO 55 Ca -0.30 -0.09 -0.07 0.00 -0.87 0.00 0.00 66.00 64.67 1weu h PRO 55 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1weu h PRO 55 CO 0.96 0.61 0.15 -0.44 -0.23 0.00 0.00 178.00 179.05 1weu h ASP 56 N 0.14 1.03 -1.11 1.44 3.32 -1.95 -3.44 116.42 115.86 1weu h ASP 56 Ca 0.01 -0.22 -0.81 0.00 0.02 0.00 0.00 57.03 56.02 1weu h ASP 56 Cb 0.88 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.17 1weu h ASP 56 CO 0.07 1.00 0.85 0.00 -1.72 0.00 0.00 179.24 179.44 1weu h SER 58 N 6.44 -0.25 0.51 0.00 0.02 -1.90 -3.29 113.55 115.09 1weu h SER 58 Ca -0.41 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1weu h SER 58 Cb 1.35 0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.97 1weu h SER 58 CO 0.99 -0.17 -0.25 0.40 -1.14 0.00 0.00 176.83 176.66 1weu h ILE 59 N -0.28 0.00 -6.93 3.27 2.04 -1.92 -3.46 117.51 110.23 1weu h ILE 59 Ca -0.02 -0.41 -0.58 0.00 1.00 0.00 0.00 64.86 64.84 1weu h ILE 59 Cb 0.22 0.00 -0.26 0.00 -0.74 0.00 0.00 36.82 36.04 1weu h ILE 59 CO 0.04 0.00 -0.88 -1.84 0.00 0.00 0.00 178.15 175.47 1weu n GLU 60 N -5.01 -2.03 -3.64 2.37 0.28 -1.24 -4.90 120.64 106.47 1weu n GLU 60 Ca -0.09 0.26 -0.05 0.00 -0.16 0.00 0.00 57.16 57.13 1weu n GLU 60 Cb 0.27 -4.74 -0.07 0.00 1.43 0.00 0.00 31.44 28.33 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 -3.45 -0.67 0.35 -1.84 0.52 -1.26 -3.07 118.94 109.51 1weu s TRP 61 Ca 0.63 1.39 -0.17 0.00 0.02 0.00 0.00 56.10 57.97 1weu s TRP 61 Cb -0.36 0.41 0.06 0.00 -1.15 0.00 0.00 33.47 32.43 1weu s TRP 61 CO 0.97 -0.33 0.83 -0.06 0.02 0.00 0.00 176.95 178.38 1weu s PHE 62 N 1.21 0.10 0.56 -1.98 0.08 -1.26 -2.96 117.98 113.72 1weu s PHE 62 Ca -0.07 -0.72 0.08 0.00 0.12 0.00 0.00 56.93 56.33 1weu s PHE 62 Cb -0.04 0.81 0.06 0.00 -0.57 0.00 0.00 43.02 43.28 1weu s PHE 62 CO -0.14 -1.45 0.62 -1.01 -0.10 0.00 0.00 175.22 173.13 1weu s HIS 63 N -2.35 1.55 -0.14 0.36 3.76 -1.26 -3.84 115.29 113.39 1weu s HIS 63 Ca 0.16 -0.76 -0.19 0.00 -0.15 0.00 0.00 55.06 54.12 1weu s HIS 63 Cb -0.05 -2.09 -0.25 0.00 1.11 0.00 0.00 32.58 31.31 1weu s HIS 63 CO 0.10 -0.83 0.47 0.74 -0.85 0.00 0.00 174.74 174.37 1weu h PHE 64 N 0.45 0.26 -0.17 1.40 0.04 -1.85 -3.28 116.94 113.78 1weu h PHE 64 Ca -0.33 -0.19 -0.07 0.00 2.80 0.00 0.00 57.97 60.17 1weu h PHE 64 Cb 1.29 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.39 1weu h PHE 64 CO 0.66 1.48 0.09 0.00 -0.60 0.00 0.00 178.31 179.95 1weu n ALA 65 N -3.05 3.02 0.00 2.45 0.00 -1.26 -1.19 120.51 120.48 1weu n ALA 65 Ca -0.26 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1weu n ALA 65 Cb 0.79 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.24 0.49 0.00 0.00 0.24 -1.21 -5.00 118.33 111.61 1weu n VAL 67 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1weu n VAL 67 Cb 0.23 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 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 3.07 0.45 3.42 7.63 0.00 -0.72 -5.05 105.19 114.00 1weu n GLY 68 Ca -0.15 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1weu n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1weu s LEU 69 N 0.00 2.53 -0.00 0.99 1.43 -0.33 -5.06 118.68 118.25 1weu s LEU 69 Ca 0.00 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1weu s LEU 69 Cb 0.00 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 1weu s LEU 69 CO 0.00 -0.25 -0.00 0.35 0.23 0.00 0.00 176.35 176.68 1weu n THR 70 N -0.56 0.02 -3.71 5.49 -2.24 -1.26 -4.40 114.28 107.62 1weu n THR 70 Ca -0.06 -0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1weu n THR 70 Cb 0.62 -0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 68.13 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1weu s THR 71 N -2.01 -0.09 -0.45 4.28 -4.23 -1.26 -5.07 115.64 106.81 1weu s THR 71 Ca -0.01 0.15 -0.34 0.00 -1.18 0.00 0.00 61.69 60.32 1weu s THR 71 Cb 0.00 -0.43 -0.16 0.00 1.34 0.00 0.00 72.50 73.26 1weu s THR 71 CO 0.01 0.06 1.78 1.17 -0.54 0.00 0.00 174.62 177.10 1weu n LYS 72 N 4.38 0.00 0.23 3.99 4.81 -1.26 -4.75 118.16 125.56 1weu n LYS 72 Ca -0.23 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.37 1weu n LYS 72 Cb 0.53 -1.21 0.64 0.00 0.02 0.00 0.00 35.03 35.01 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 7.57 0.00 -5.00 1.64 0.13 -1.92 -3.46 132.00 130.96 1weu h PRO 73 Ca -0.08 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.77 1weu h PRO 73 Cb 1.13 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.08 1weu h PRO 73 CO 0.91 0.00 -0.42 -2.13 -0.23 0.00 0.00 178.00 176.13 1weu n ARG 74 N -2.82 -1.10 0.00 0.86 0.63 -1.26 -4.63 116.66 108.34 1weu n ARG 74 Ca 0.01 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1weu n ARG 74 Cb 0.27 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.48 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 -0.71 1.13 2.34 5.14 0.00 -1.26 -5.05 105.19 106.77 1weu n GLY 75 Ca 0.06 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 1.43 -3.47 1.61 4.76 -1.26 -4.95 118.16 116.28 1weu n LYS 76 Ca 0.00 -3.72 -0.41 0.00 -2.87 0.00 0.00 58.31 51.31 1weu n LYS 76 Cb 0.00 -1.70 -0.10 0.00 -1.84 0.00 0.00 35.03 31.39 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 -2.21 3.22 -0.19 2.13 -0.00 -1.26 -5.00 118.94 115.63 1weu s TRP 77 Ca 0.40 -0.21 -0.08 0.00 -0.00 0.00 0.00 56.10 56.21 1weu s TRP 77 Cb 0.26 -2.57 -0.04 0.00 -0.00 0.00 0.00 33.47 31.12 1weu s TRP 77 CO -0.09 -0.42 0.08 -0.06 -0.00 0.00 0.00 176.95 176.45 1weu s PHE 78 N 1.82 3.28 0.76 5.86 0.40 -1.26 -2.73 117.98 126.12 1weu s PHE 78 Ca 0.08 0.12 -0.16 0.00 -0.60 0.00 0.00 56.93 56.37 1weu s PHE 78 Cb -0.17 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 1weu s PHE 78 CO 0.11 0.18 0.50 0.00 0.70 0.00 0.00 175.22 176.71 1weu n PRO 80 N -0.85 0.49 -0.04 0.00 -0.04 -1.26 -2.12 135.00 131.17 1weu n PRO 80 Ca 0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1weu n PRO 80 Cb 0.50 -1.18 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.15 -0.11 0.54 1.74 -1.26 -4.49 116.66 113.55 1weu n ARG 81 Ca 0.04 -0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.84 1weu n ARG 81 Cb 0.02 -1.37 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 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 -1.99 -0.88 0.00 0.87 -1.76 0.30 113.55 109.09 1weu h SER 83 Ca -0.38 0.30 0.30 0.00 -1.23 0.00 0.00 61.79 60.78 1weu h SER 83 Cb 1.32 0.87 -0.16 0.00 -0.44 0.00 0.00 62.40 63.99 1weu h SER 83 CO -0.23 -0.29 0.22 1.67 -0.53 0.00 0.00 176.83 177.67 1weu n GLN 84 N -5.31 -0.06 -3.62 2.24 7.27 -1.26 -4.68 117.38 111.95 1weu n GLN 84 Ca 0.01 1.28 -0.28 0.00 0.07 0.00 0.00 57.00 58.07 1weu n GLN 84 Cb 0.30 -2.15 -0.06 0.00 2.41 0.00 0.00 30.24 30.75 1weu n GLN 84 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1weu n GLU 85 N -5.16 -0.83 -4.35 3.69 0.28 0.11 -4.86 120.64 109.52 1weu n GLU 85 Ca 0.26 0.09 -0.34 0.00 -0.16 0.00 0.00 57.16 57.02 1weu n GLU 85 Cb 0.88 -3.12 -0.15 0.00 1.43 0.00 0.00 31.44 30.48 1weu n GLU 85 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1weu s SER 86 N -2.77 3.86 0.41 -1.84 0.15 -1.26 -5.12 113.70 107.12 1weu s SER 86 Ca 0.49 -0.44 0.08 0.00 0.70 0.00 0.00 55.95 56.78 1weu s SER 86 Cb -0.28 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 1weu s SER 86 CO 0.71 0.06 0.25 -0.83 1.20 0.00 0.00 173.24 174.63 1weu s GLY 87 N 0.96 2.23 -0.56 9.45 0.00 -1.26 -5.05 107.32 113.08 1weu s GLY 87 Ca -0.02 -2.00 -0.27 0.00 0.00 0.00 0.00 44.72 42.43 1weu s GLY 87 CO -0.01 -1.82 1.83 2.56 0.00 0.00 0.00 173.10 175.66 1weu s PRO 88 N -3.98 2.77 0.29 2.90 0.04 -1.26 -4.95 135.00 130.81 1weu s PRO 88 Ca 0.43 0.74 0.02 0.00 0.04 0.00 0.00 61.00 62.24 1weu s PRO 88 Cb 0.01 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1weu s PRO 88 CO 0.24 -2.56 0.13 -1.54 0.04 0.00 0.00 177.00 173.31 1weu s SER 89 N 7.64 1.51 0.29 6.66 1.04 -1.26 -5.04 113.70 124.55 1weu s SER 89 Ca 0.69 -1.49 -0.03 0.00 0.48 0.00 0.00 55.95 55.60 1weu s SER 89 Cb -0.14 0.29 0.61 0.00 0.10 0.00 0.00 66.02 66.87 1weu s SER 89 CO 0.23 -0.82 1.58 -1.28 0.98 0.00 0.00 173.24 173.93 1weu h SER 90 N 2.25 -0.63 0.00 7.02 0.87 -2.08 -3.56 113.55 117.42 1weu h SER 90 Ca -0.36 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1weu h SER 90 Cb 1.25 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 1weu h SER 90 CO 0.56 -0.33 0.00 0.61 -0.53 0.00 0.00 176.83 177.15