#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 -0.08 0.03 1.61 0.01 -1.26 -5.19 113.70 108.81 1weu s SER 2 Ca 0.00 -0.24 -0.28 0.00 1.31 0.00 0.00 55.95 56.75 1weu s SER 2 Cb 0.00 0.26 0.10 0.00 0.21 0.00 0.00 66.02 66.59 1weu s SER 2 CO 0.00 -0.49 1.23 -0.44 0.41 0.00 0.00 173.24 173.95 1weu s SER 3 N -3.05 -0.01 0.24 2.44 0.01 -1.26 -5.20 113.70 106.87 1weu s SER 3 Ca 0.15 -0.28 -0.19 0.00 1.31 0.00 0.00 55.95 56.94 1weu s SER 3 Cb 0.03 0.22 0.07 0.00 0.21 0.00 0.00 66.02 66.55 1weu s SER 3 CO -0.02 -0.44 0.93 0.61 0.41 0.00 0.00 173.24 174.73 1weu n GLY 4 N -0.76 0.74 3.84 3.44 0.00 -1.26 -5.19 105.19 106.01 1weu n GLY 4 Ca -0.01 -1.18 0.01 0.00 0.00 0.00 0.00 46.02 44.84 1weu n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1weu s SER 5 N -3.26 -0.02 0.10 1.61 0.01 -1.26 -5.19 113.70 105.68 1weu s SER 5 Ca 0.20 -0.29 -0.26 0.00 1.31 0.00 0.00 55.95 56.91 1weu s SER 5 Cb -0.03 0.24 0.09 0.00 0.21 0.00 0.00 66.02 66.52 1weu s SER 5 CO 0.07 -0.47 1.12 -0.94 0.41 0.00 0.00 173.24 173.43 1weu s SER 6 N -3.43 -0.06 0.00 2.44 1.04 -1.26 -5.19 113.70 107.24 1weu s SER 6 Ca 0.22 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1weu s SER 6 Cb 0.01 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1weu s SER 6 CO -0.00 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1weu n GLY 7 N -0.62 3.06 3.29 7.32 0.00 -1.26 -5.16 105.19 111.83 1weu n GLY 7 Ca -0.04 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.30 1.14 1.61 1.04 -1.26 -5.18 113.70 110.76 1weu s SER 8 Ca 0.00 0.41 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1weu s SER 8 Cb 0.00 1.33 0.17 0.00 0.10 0.00 0.00 66.02 67.62 1weu s SER 8 CO 0.00 -0.06 0.62 -0.81 0.98 0.00 0.00 173.24 173.97 1weu n PRO 9 N 4.69 -2.22 -3.65 4.02 -0.04 -1.26 -5.10 135.00 131.45 1weu n PRO 9 Ca -0.08 -0.98 -0.04 0.00 -0.04 0.00 0.00 63.50 62.35 1weu n PRO 9 Cb 0.54 -0.92 -0.07 0.00 -0.04 0.00 0.00 33.50 33.01 1weu n PRO 9 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1weu s GLU 10 N -4.40 0.21 0.03 0.54 2.56 -1.26 -5.19 118.70 111.19 1weu s GLU 10 Ca 0.40 0.26 -0.28 0.00 0.00 0.00 0.00 54.97 55.35 1weu s GLU 10 Cb -0.04 0.09 0.10 0.00 2.00 0.00 0.00 34.13 36.28 1weu s GLU 10 CO 0.31 -0.03 1.22 0.71 -0.56 0.00 0.00 175.26 176.91 1weu s TYR 11 N 0.26 -0.01 0.00 5.30 2.02 -1.26 -5.17 117.35 118.48 1weu s TYR 11 Ca 0.04 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 1weu s TYR 11 Cb -0.05 0.58 0.00 0.00 -0.40 0.00 0.00 41.96 42.10 1weu s TYR 11 CO -0.12 -0.42 0.00 0.41 -1.57 0.00 0.00 175.55 173.84 1weu n GLY 12 N -0.65 2.91 2.96 0.71 0.00 -1.26 -5.18 105.19 104.69 1weu n GLY 12 Ca -0.04 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.15 0.12 0.34 1.61 -1.94 -1.26 -5.17 119.30 111.86 1weu s MET 13 Ca 0.00 0.02 -0.06 0.00 -1.71 0.00 0.00 55.69 53.94 1weu s MET 13 Cb 0.00 0.05 0.08 0.00 2.01 0.00 0.00 34.83 36.98 1weu s MET 13 CO 0.00 -0.02 0.30 -0.35 -0.01 0.00 0.00 175.02 174.94 1weu n PRO 14 N 2.85 -1.61 -3.59 2.03 -0.04 -1.26 -5.10 135.00 128.28 1weu n PRO 14 Ca -0.14 -0.48 -0.10 0.00 -0.04 0.00 0.00 63.50 62.74 1weu n PRO 14 Cb 0.59 -0.45 -0.06 0.00 -0.04 0.00 0.00 33.50 33.54 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 -2.32 -0.39 0.00 3.54 0.15 -1.26 -5.18 113.70 108.24 1weu s SER 15 Ca 0.20 0.52 -0.06 0.00 0.70 0.00 0.00 55.95 57.30 1weu s SER 15 Cb -0.02 0.44 -0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1weu s SER 15 CO 0.15 -0.30 0.12 -0.69 1.20 0.00 0.00 173.24 173.71 1weu s VAL 16 N -0.79 0.08 0.01 4.45 1.01 -1.26 -5.17 120.40 118.73 1weu s VAL 16 Ca -0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1weu s VAL 16 Cb -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1weu s VAL 16 CO -0.00 -0.37 0.19 -0.89 0.00 0.00 0.00 175.10 174.03 1weu s THR 17 N -1.32 0.08 0.45 3.92 2.01 -1.26 -5.18 115.64 114.35 1weu s THR 17 Ca -0.14 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1weu s THR 17 Cb -0.08 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1weu s THR 17 CO 0.01 -0.37 0.09 0.12 -0.69 0.00 0.00 174.62 173.78 1weu s PHE 18 N -1.60 1.82 0.00 4.92 5.36 -1.26 -5.16 117.98 122.05 1weu s PHE 18 Ca -0.13 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.67 1weu s PHE 18 Cb -0.06 -1.31 0.00 0.00 -0.34 0.00 0.00 43.02 41.31 1weu s PHE 18 CO 0.01 -0.12 0.00 0.41 -1.46 0.00 0.00 175.22 174.06 1weu n GLY 19 N -1.04 3.62 3.54 13.12 0.00 -1.26 -5.19 105.19 117.99 1weu n GLY 19 Ca -0.11 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 0.07 -0.15 1.61 0.15 -1.26 -5.18 113.70 108.94 1weu s SER 20 Ca 0.00 -1.06 -0.26 0.00 0.70 0.00 0.00 55.95 55.33 1weu s SER 20 Cb 0.00 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 1weu s SER 20 CO 0.00 -1.15 0.65 0.54 1.20 0.00 0.00 173.24 174.48 1weu s VAL 21 N -3.85 0.00 0.33 4.45 0.11 -1.26 -5.17 120.40 115.01 1weu s VAL 21 Ca 0.25 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.25 1weu s VAL 21 Cb -0.00 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1weu s VAL 21 CO 0.11 -0.02 0.55 -1.00 -3.33 0.00 0.00 175.10 171.41 1weu s HIS 22 N -0.41 3.50 -0.97 1.54 3.76 -1.26 -4.99 115.29 116.46 1weu s HIS 22 Ca -0.06 0.46 -0.24 0.00 -0.15 0.00 0.00 55.06 55.08 1weu s HIS 22 Cb -0.03 -1.98 -0.06 0.00 1.11 0.00 0.00 32.58 31.63 1weu s HIS 22 CO 0.05 0.13 1.95 -1.25 -0.85 0.00 0.00 174.74 174.77 1weu s PRO 23 N -4.04 2.53 1.12 8.40 0.04 -1.26 -4.96 135.00 136.84 1weu s PRO 23 Ca 0.41 -0.50 -0.16 0.00 0.04 0.00 0.00 61.00 60.79 1weu s PRO 23 Cb -0.10 -5.11 0.16 0.00 0.04 0.00 0.00 34.50 29.49 1weu s PRO 23 CO 0.34 -3.54 0.40 0.45 0.04 0.00 0.00 177.00 174.69 1weu n SER 24 N 14.10 -2.06 -4.41 6.66 2.88 -1.26 -4.89 113.62 124.64 1weu n SER 24 Ca 0.41 -0.07 -0.45 0.00 -1.33 0.00 0.00 58.87 57.43 1weu n SER 24 Cb 0.47 -1.09 -0.01 0.00 -0.75 0.00 0.00 64.21 62.82 1weu n SER 24 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1weu s ASP 25 N -2.06 6.90 -0.29 -3.46 2.15 -1.26 -4.93 116.67 113.73 1weu s ASP 25 Ca 0.60 -2.72 -0.15 0.00 0.43 0.00 0.00 52.55 50.71 1weu s ASP 25 Cb -0.17 -2.33 0.14 0.00 -0.30 0.00 0.00 42.92 40.26 1weu s ASP 25 CO 0.66 -0.73 0.89 0.54 -0.17 0.00 0.00 175.17 176.36 1weu s VAL 26 N 1.14 -0.20 0.97 1.11 0.11 -1.26 -5.17 120.40 117.10 1weu s VAL 26 Ca 0.32 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 1weu s VAL 26 Cb -0.06 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.96 1weu s VAL 26 CO -0.06 0.00 1.09 -1.48 -3.33 0.00 0.00 175.10 171.31 1weu s LEU 27 N 1.79 1.84 -0.27 2.54 2.34 -1.26 -5.08 118.68 120.57 1weu s LEU 27 Ca -0.08 1.35 -0.25 0.00 0.06 0.00 0.00 54.13 55.21 1weu s LEU 27 Cb -0.05 -3.61 0.08 0.00 -0.56 0.00 0.00 46.19 42.05 1weu s LEU 27 CO -0.17 -3.00 0.79 -1.81 -1.06 0.00 0.00 176.35 171.10 1weu s ASP 28 N -3.37 -0.69 -0.29 1.48 1.01 -1.26 -5.12 116.67 108.44 1weu s ASP 28 Ca 0.65 1.32 -0.34 0.00 0.71 0.00 0.00 52.55 54.89 1weu s ASP 28 Cb -0.19 1.34 -0.15 0.00 1.01 0.00 0.00 42.92 44.93 1weu s ASP 28 CO 0.58 -0.23 1.10 0.23 0.21 0.00 0.00 175.17 177.06 1weu n MET 29 N 2.61 0.00 -2.26 8.23 2.81 -1.26 -4.85 117.12 122.40 1weu n MET 29 Ca -0.14 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.40 1weu n MET 29 Cb 0.55 -1.12 -0.00 0.00 -0.71 0.00 0.00 33.22 31.94 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 1.72 3.48 0.16 0.03 0.04 -1.26 -4.99 135.00 134.18 1weu s PRO 30 Ca 0.76 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 1weu s PRO 30 Cb -1.08 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 1weu s PRO 30 CO 0.57 -0.76 1.24 0.54 0.04 0.00 0.00 177.00 178.64 1weu s VAL 31 N -1.71 3.53 0.11 -0.36 0.11 -1.26 -5.03 120.40 115.80 1weu s VAL 31 Ca 0.70 1.23 -0.00 0.00 -2.93 0.00 0.00 61.98 60.98 1weu s VAL 31 Cb -0.25 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.77 1weu s VAL 31 CO 0.29 0.17 0.27 -1.81 -3.33 0.00 0.00 175.10 170.69 1weu s ASP 32 N 0.44 6.37 0.02 3.54 1.01 -1.26 -5.03 116.67 121.76 1weu s ASP 32 Ca 0.56 0.30 -0.22 0.00 0.71 0.00 0.00 52.55 53.90 1weu s ASP 32 Cb -0.33 -1.97 -0.16 0.00 1.01 0.00 0.00 42.92 41.47 1weu s ASP 32 CO 0.35 0.10 1.32 1.55 0.21 0.00 0.00 175.17 178.71 1weu h PRO 33 N 2.69 0.26 -3.27 8.23 0.13 -2.06 -3.46 132.00 134.52 1weu h PRO 33 Ca -0.46 -0.14 -0.19 0.00 -0.87 0.00 0.00 66.00 64.34 1weu h PRO 33 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1weu h PRO 33 CO 0.73 0.67 -0.22 -1.71 -0.23 0.00 0.00 178.00 177.24 1weu n ASN 34 N -4.64 -2.94 -4.95 1.44 5.15 -1.26 -4.92 115.26 103.15 1weu n ASN 34 Ca -0.07 0.26 -0.23 0.00 -0.60 0.00 0.00 54.58 53.94 1weu n ASN 34 Cb 0.33 -2.64 -0.01 0.00 -0.53 0.00 0.00 39.78 36.93 1weu n ASN 34 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1weu s GLU 35 N -4.28 3.46 0.49 1.20 2.02 -1.26 -5.08 118.70 115.25 1weu s GLU 35 Ca 0.00 -0.40 -0.21 0.00 0.02 0.00 0.00 54.97 54.38 1weu s GLU 35 Cb 0.00 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.48 1weu s GLU 35 CO 0.00 0.16 1.15 -1.25 0.02 0.00 0.00 175.26 175.34 1weu s PRO 36 N -4.29 3.59 -0.13 0.39 0.04 -1.26 -4.77 135.00 128.57 1weu s PRO 36 Ca 0.40 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1weu s PRO 36 Cb -0.10 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1weu s PRO 36 CO 0.35 -0.68 -0.06 0.95 0.04 0.00 0.00 177.00 177.60 1weu s THR 37 N -1.64 3.67 -0.00 1.26 -4.23 -1.26 -4.08 115.64 109.36 1weu s THR 37 Ca 0.67 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.67 1weu s THR 37 Cb -0.27 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1weu s THR 37 CO 0.31 0.52 -0.13 -1.22 -0.54 0.00 0.00 174.62 173.57 1weu n TYR 38 N 3.24 0.00 -0.93 3.99 4.02 -1.23 -4.82 117.16 121.42 1weu n TYR 38 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.41 1weu n TYR 38 Cb 0.53 -0.19 0.02 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.31 0.74 -0.21 0.00 4.07 -1.97 0.24 115.31 117.88 1weu h LEU 40 Ca -0.34 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1weu h LEU 40 Cb 1.13 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1weu h LEU 40 CO 0.28 0.45 0.00 0.00 -1.08 0.00 0.00 178.44 178.09 1weu n HIS 42 N -1.64 -1.90 -4.38 0.00 8.25 0.83 -5.04 115.22 111.34 1weu n HIS 42 Ca 0.01 0.74 -0.20 0.00 -0.26 0.00 0.00 57.72 58.01 1weu n HIS 42 Cb 0.08 -4.19 -0.10 0.00 1.12 0.00 0.00 29.99 26.90 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 -4.64 1.42 0.31 -0.41 -1.52 -1.26 -4.88 119.66 108.68 1weu s GLN 43 Ca 0.18 -1.65 -0.29 0.00 -1.95 0.00 0.00 55.36 51.65 1weu s GLN 43 Cb -0.02 -1.20 -0.11 0.00 -0.22 0.00 0.00 33.01 31.46 1weu s GLN 43 CO 0.60 0.17 1.44 0.54 -0.25 0.00 0.00 175.29 177.79 1weu s VAL 44 N -2.93 2.43 -0.10 1.09 0.11 -1.26 -3.52 120.40 116.21 1weu s VAL 44 Ca 0.25 0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 59.40 1weu s VAL 44 Cb -0.00 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1weu s VAL 44 CO 0.09 0.08 1.48 -0.94 -3.33 0.00 0.00 175.10 172.48 1weu s SER 45 N 0.03 6.79 -0.62 3.54 1.04 -1.26 -4.96 113.70 118.26 1weu s SER 45 Ca 0.55 2.00 0.05 0.00 0.48 0.00 0.00 55.95 59.03 1weu s SER 45 Cb -0.43 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.32 1weu s SER 45 CO 0.52 -0.85 0.44 -0.72 0.98 0.00 0.00 173.24 173.60 1weu s TYR 46 N 3.77 2.94 0.00 5.02 -0.85 -1.26 -5.01 117.35 121.96 1weu s TYR 46 Ca 0.65 -3.07 0.00 0.00 -0.52 0.00 0.00 57.07 54.14 1weu s TYR 46 Cb -0.28 -2.28 0.00 0.00 0.38 0.00 0.00 41.96 39.77 1weu s TYR 46 CO 0.23 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 1weu n GLY 47 N 2.30 0.25 2.29 5.49 0.00 -1.26 -4.74 105.19 109.52 1weu n GLY 47 Ca 0.21 0.70 -0.19 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 0.00 -3.60 1.61 4.71 -1.26 -4.79 120.64 117.30 1weu n GLU 48 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 1weu n GLU 48 Cb 0.00 -0.78 -0.07 0.00 -1.01 0.00 0.00 31.44 29.59 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 5.07 0.93 0.00 3.49 -1.94 -1.26 -4.19 119.30 121.41 1weu s MET 49 Ca 0.87 0.05 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 1weu s MET 49 Cb -0.66 0.43 0.00 0.00 2.01 0.00 0.00 34.83 36.61 1weu s MET 49 CO 0.35 -0.29 0.00 0.44 -0.01 0.00 0.00 175.02 175.52 1weu n ILE 50 N 0.97 0.00 -2.39 2.53 -0.00 -1.24 -4.78 119.36 114.44 1weu n ILE 50 Ca -0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.54 1weu n ILE 50 Cb 0.57 -0.33 -0.01 0.00 -0.00 0.00 0.00 39.64 39.87 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 2.31 -5.50 3.41 3.28 0.00 -1.26 -4.79 105.19 102.63 1weu n GLY 51 Ca 0.00 0.33 -0.47 0.00 0.00 0.00 0.00 46.02 45.88 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 1.95 0.17 -4.65 0.00 2.03 -0.60 -4.69 116.55 110.77 1weu n ASP 53 Ca 0.16 0.53 -0.42 0.00 0.52 0.00 0.00 54.79 55.59 1weu n ASP 53 Cb 0.28 -0.57 -0.04 0.00 -0.72 0.00 0.00 41.12 40.07 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 -3.32 6.88 0.50 1.67 2.47 -1.26 -4.93 114.94 116.95 1weu s ASN 54 Ca 0.09 1.10 0.28 0.00 0.42 0.00 0.00 52.86 54.75 1weu s ASN 54 Cb 0.12 -2.45 1.19 0.00 -1.45 0.00 0.00 41.25 38.66 1weu s ASN 54 CO 0.39 -0.52 1.93 1.55 -3.72 0.00 0.00 177.10 176.73 1weu h PRO 55 N 7.60 0.00 0.09 0.43 0.13 -2.01 -2.95 132.00 135.28 1weu h PRO 55 Ca -0.23 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.64 1weu h PRO 55 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1weu h PRO 55 CO 0.88 0.13 -1.14 -0.44 -0.23 0.00 0.00 178.00 177.20 1weu h ASP 56 N 0.00 0.44 -1.43 1.44 5.19 -1.97 -3.46 116.42 116.64 1weu h ASP 56 Ca -0.00 -0.43 -0.74 0.00 -0.62 0.00 0.00 57.03 55.24 1weu h ASP 56 Cb 0.59 -0.14 0.04 0.00 0.18 0.00 0.00 39.33 39.99 1weu h ASP 56 CO 0.02 1.29 0.53 0.00 -3.12 0.00 0.00 179.24 177.96 1weu h SER 58 N 5.06 0.01 0.22 0.00 0.87 -1.89 -3.32 113.55 114.50 1weu h SER 58 Ca -0.48 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 59.70 1weu h SER 58 Cb 1.35 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1weu h SER 58 CO 0.83 0.38 -0.10 0.40 -0.53 0.00 0.00 176.83 177.80 1weu h ILE 59 N -0.36 0.81 -6.01 2.23 2.04 -1.92 -3.46 117.51 110.84 1weu h ILE 59 Ca 0.00 -0.89 -0.40 0.00 1.00 0.00 0.00 64.86 64.57 1weu h ILE 59 Cb 0.37 1.27 -0.25 0.00 -0.74 0.00 0.00 36.82 37.48 1weu h ILE 59 CO 0.00 0.18 -0.58 -1.84 0.00 0.00 0.00 178.15 175.91 1weu n GLU 60 N -5.01 -1.25 -3.62 2.37 0.28 -1.25 -4.83 120.64 107.33 1weu n GLU 60 Ca -0.08 0.09 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1weu n GLU 60 Cb 0.26 -3.95 -0.05 0.00 1.43 0.00 0.00 31.44 29.12 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 -2.60 -1.06 0.19 -1.84 0.52 -1.26 -3.09 118.94 109.80 1weu s TRP 61 Ca 0.53 1.97 -0.04 0.00 0.02 0.00 0.00 56.10 58.58 1weu s TRP 61 Cb -0.31 0.63 0.01 0.00 -1.15 0.00 0.00 33.47 32.66 1weu s TRP 61 CO 0.65 -0.53 0.31 1.19 0.02 0.00 0.00 176.95 178.60 1weu n PHE 62 N 4.73 -1.26 -4.19 -1.98 3.72 -1.26 -2.56 117.46 114.66 1weu n PHE 62 Ca -0.16 -1.10 -0.29 0.00 -0.05 0.00 0.00 57.45 55.86 1weu n PHE 62 Cb 0.54 0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 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 -4.60 1.67 -0.12 1.38 3.76 -1.26 -3.73 115.29 112.38 1weu s HIS 63 Ca 0.12 -0.89 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 1weu s HIS 63 Cb -0.01 -1.80 -0.25 0.00 1.11 0.00 0.00 32.58 31.62 1weu s HIS 63 CO 0.09 -0.25 0.36 1.19 -0.85 0.00 0.00 174.74 175.27 1weu n PHE 64 N -1.61 1.16 0.87 1.40 3.72 -1.26 -3.94 117.46 117.80 1weu n PHE 64 Ca -0.08 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1weu n PHE 64 Cb 0.65 -1.16 0.03 0.00 -0.94 0.00 0.00 39.48 38.06 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 -2.97 2.59 0.00 4.37 0.00 -1.26 -0.29 120.51 122.95 1weu n ALA 65 Ca -0.31 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1weu n ALA 65 Cb 1.05 -1.01 0.00 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 -1.55 0.00 0.00 0.00 0.24 -1.17 -5.03 118.33 110.82 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 0.16 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 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 2.30 0.56 2.41 7.63 0.00 0.60 -5.09 105.19 113.58 1weu n GLY 68 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 1.96 -0.21 0.99 4.77 -0.85 -4.95 117.00 118.72 1weu n LEU 69 Ca 0.00 -5.17 0.19 0.00 -0.03 0.00 0.00 56.01 51.00 1weu n LEU 69 Cb 0.00 0.22 0.34 0.00 -2.33 0.00 0.00 43.42 41.65 1weu n LEU 69 CO 0.00 2.24 0.60 1.07 -1.33 0.00 0.00 177.39 179.97 1weu n THR 70 N 0.43 -0.19 -4.07 -5.08 5.66 -1.26 -4.04 114.28 105.73 1weu n THR 70 Ca 0.26 1.04 -0.15 0.00 -3.05 0.00 0.00 64.05 62.16 1weu n THR 70 Cb 0.54 -1.70 -0.14 0.00 -1.55 0.00 0.00 70.33 67.48 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1weu s THR 71 N -4.68 0.29 -0.04 1.09 -4.23 -1.26 -5.06 115.64 101.75 1weu s THR 71 Ca -0.04 -0.15 -0.35 0.00 -1.18 0.00 0.00 61.69 59.97 1weu s THR 71 Cb 0.18 -0.25 -0.13 0.00 1.34 0.00 0.00 72.50 73.64 1weu s THR 71 CO 0.43 0.08 1.80 1.17 -0.54 0.00 0.00 174.62 177.56 1weu n LYS 72 N 2.99 2.09 0.24 3.99 4.81 -1.26 -4.85 118.16 126.17 1weu n LYS 72 Ca -0.13 0.76 0.11 0.00 -0.87 0.00 0.00 58.31 58.19 1weu n LYS 72 Cb 0.59 -2.58 0.55 0.00 0.02 0.00 0.00 35.03 33.60 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 8.29 0.00 -6.49 1.64 0.13 -1.90 -3.46 132.00 130.20 1weu h PRO 73 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 1weu h PRO 73 Cb 1.27 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 1weu h PRO 73 CO 0.93 0.19 -0.70 -2.13 -0.23 0.00 0.00 178.00 176.06 1weu n ARG 74 N -3.42 -0.95 0.00 0.86 3.00 -1.26 -4.65 116.66 110.24 1weu n ARG 74 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1weu n ARG 74 Cb 0.37 -2.65 0.00 0.00 0.00 0.00 0.00 32.46 30.18 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 -2.07 1.02 2.95 5.14 0.00 -1.26 -5.08 105.19 105.88 1weu n GLY 75 Ca -0.22 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1weu n GLY 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1weu s LYS 76 N 1.54 2.21 -0.30 1.61 2.47 -1.26 -4.85 119.74 121.17 1weu s LYS 76 Ca 0.00 -2.88 0.03 0.00 -1.56 0.00 0.00 55.97 51.55 1weu s LYS 76 Cb 0.00 -3.40 0.08 0.00 -1.46 0.00 0.00 37.83 33.06 1weu s LYS 76 CO 0.00 -1.18 -0.01 -0.46 0.16 0.00 0.00 175.35 173.86 1weu s TRP 77 N -0.71 3.20 -0.34 4.03 -0.00 -1.26 -5.00 118.94 118.86 1weu s TRP 77 Ca 0.20 -2.49 -0.15 0.00 -0.00 0.00 0.00 56.10 53.66 1weu s TRP 77 Cb -0.18 -2.30 -0.01 0.00 -0.00 0.00 0.00 33.47 30.97 1weu s TRP 77 CO -0.06 -0.89 0.35 -0.06 -0.00 0.00 0.00 176.95 176.28 1weu s PHE 78 N 1.11 3.21 0.64 5.86 0.40 -1.26 -1.56 117.98 126.37 1weu s PHE 78 Ca 0.02 -0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.14 1weu s PHE 78 Cb -0.19 -2.64 -0.14 0.00 0.51 0.00 0.00 43.02 40.56 1weu s PHE 78 CO -0.08 -0.42 -0.36 0.00 0.70 0.00 0.00 175.22 175.05 1weu n PRO 80 N 1.73 0.49 -0.02 0.00 -0.04 -1.26 -2.04 135.00 133.86 1weu n PRO 80 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1weu n PRO 80 Cb 0.46 -1.15 -0.09 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.65 0.98 -0.07 0.54 1.74 -1.26 -4.55 116.66 113.39 1weu n ARG 81 Ca 0.03 -0.07 -0.09 0.00 -0.77 0.00 0.00 57.85 56.96 1weu n ARG 81 Cb 0.02 -1.28 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 1weu n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1weu n SER 83 N -4.61 -0.40 -1.76 0.00 2.88 -1.15 -4.81 113.62 103.77 1weu n SER 83 Ca -0.12 1.69 -0.11 0.00 -1.33 0.00 0.00 58.87 59.00 1weu n SER 83 Cb 0.32 -0.49 0.03 0.00 -0.75 0.00 0.00 64.21 63.32 1weu n SER 83 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1weu n GLN 84 N -5.57 -2.97 -3.65 -1.46 7.27 -1.26 -3.16 117.38 106.58 1weu n GLN 84 Ca 0.15 0.43 -0.23 0.00 0.07 0.00 0.00 57.00 57.42 1weu n GLN 84 Cb 0.47 -4.28 0.06 0.00 2.41 0.00 0.00 30.24 28.91 1weu n GLN 84 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1weu n GLU 85 N -2.48 -6.49 0.19 3.69 -0.58 -1.26 -4.88 120.64 108.83 1weu n GLU 85 Ca -0.03 0.74 0.09 0.00 -0.42 0.00 0.00 57.16 57.53 1weu n GLU 85 Cb 0.55 -5.65 0.15 0.00 -0.57 0.00 0.00 31.44 25.92 1weu n GLU 85 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1weu h SER 86 N -2.21 0.00 -4.21 1.62 4.64 -1.92 -3.46 113.55 108.01 1weu h SER 86 Ca -0.59 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.20 1weu h SER 86 Cb 1.36 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.62 1weu h SER 86 CO 0.57 0.20 0.34 -0.83 -0.87 0.00 0.00 176.83 176.24 1weu s GLY 87 N -4.30 2.15 -0.16 -0.77 0.00 -1.26 -4.91 107.32 98.06 1weu s GLY 87 Ca 0.05 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.28 1weu s GLY 87 CO 0.69 1.21 1.57 2.56 0.00 0.00 0.00 173.10 179.13 1weu s PRO 88 N -4.16 3.99 0.06 2.90 0.04 -1.26 -5.00 135.00 131.58 1weu s PRO 88 Ca 0.72 1.83 -0.00 0.00 0.04 0.00 0.00 61.00 63.59 1weu s PRO 88 Cb -0.27 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1weu s PRO 88 CO 0.50 -1.05 -0.04 -1.54 0.04 0.00 0.00 177.00 174.90 1weu s SER 89 N 3.57 0.67 -0.08 6.66 1.04 -1.26 -5.10 113.70 119.19 1weu s SER 89 Ca 0.69 -0.94 -0.41 0.00 0.48 0.00 0.00 55.95 55.78 1weu s SER 89 Cb -0.27 0.16 -0.19 0.00 0.10 0.00 0.00 66.02 65.81 1weu s SER 89 CO 0.27 -0.52 1.23 -1.20 0.98 0.00 0.00 173.24 174.00 1weu n SER 90 N 0.25 0.58 -0.29 7.02 7.64 -1.26 -5.24 113.62 122.32 1weu n SER 90 Ca -0.15 1.15 0.15 0.00 1.01 0.00 0.00 58.87 61.03 1weu n SER 90 Cb 0.60 -0.97 0.69 0.00 -1.01 0.00 0.00 64.21 63.52 1weu n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64