#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 0.43 0.02 1.61 0.01 -1.26 -5.19 113.70 109.31 1weu s SER 2 Ca 0.00 -1.26 -0.28 0.00 1.31 0.00 0.00 55.95 55.72 1weu s SER 2 Cb 0.00 0.72 0.10 0.00 0.21 0.00 0.00 66.02 67.05 1weu s SER 2 CO 0.00 -1.41 1.24 -0.55 0.41 0.00 0.00 173.24 172.93 1weu s SER 3 N -3.14 -0.02 0.00 2.44 0.15 -1.26 -5.20 113.70 106.67 1weu s SER 3 Ca 0.24 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1weu s SER 3 Cb -0.02 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1weu s SER 3 CO 0.15 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1weu n GLY 4 N -0.70 -0.66 3.73 9.45 0.00 -1.26 -5.19 105.19 110.56 1weu n GLY 4 Ca -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -0.09 -0.15 1.61 0.15 -1.26 -5.19 113.70 108.76 1weu s SER 5 Ca 0.00 -0.32 -0.33 0.00 0.70 0.00 0.00 55.95 56.00 1weu s SER 5 Cb 0.00 0.34 0.13 0.00 -1.71 0.00 0.00 66.02 64.78 1weu s SER 5 CO 0.00 -0.63 1.13 -0.55 1.20 0.00 0.00 173.24 174.38 1weu s SER 6 N -3.08 -0.20 0.00 5.45 0.15 -1.26 -5.19 113.70 109.57 1weu s SER 6 Ca 0.15 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1weu s SER 6 Cb 0.01 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1weu s SER 6 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1weu n GLY 7 N 0.00 4.51 3.41 9.45 0.00 -1.26 -5.17 105.19 116.13 1weu n GLY 7 Ca -0.03 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.63 -0.46 1.07 1.61 0.01 -1.26 -5.18 113.70 108.87 1weu s SER 8 Ca 0.00 0.65 -0.06 0.00 1.31 0.00 0.00 55.95 57.85 1weu s SER 8 Cb 0.00 1.47 0.09 0.00 0.21 0.00 0.00 66.02 67.79 1weu s SER 8 CO 0.00 -0.09 0.32 -0.81 0.41 0.00 0.00 173.24 173.07 1weu n PRO 9 N 4.64 -1.65 -3.89 12.44 -0.04 -1.26 -5.10 135.00 140.13 1weu n PRO 9 Ca -0.10 -0.52 -0.09 0.00 -0.04 0.00 0.00 63.50 62.75 1weu n PRO 9 Cb 0.54 -0.49 -0.02 0.00 -0.04 0.00 0.00 33.50 33.50 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 -3.74 1.88 0.08 0.54 1.03 -1.26 -5.19 118.70 112.05 1weu s GLU 10 Ca 0.21 -1.24 -0.26 0.00 0.03 0.00 0.00 54.97 53.71 1weu s GLU 10 Cb -0.02 0.57 0.09 0.00 -0.80 0.00 0.00 34.13 33.97 1weu s GLU 10 CO 0.16 -0.85 1.16 0.71 -1.33 0.00 0.00 175.26 175.11 1weu s TYR 11 N -3.40 0.02 0.33 4.83 2.02 -1.26 -5.19 117.35 114.70 1weu s TYR 11 Ca 0.16 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1weu s TYR 11 Cb -0.04 0.62 0.01 0.00 -0.40 0.00 0.00 41.96 42.15 1weu s TYR 11 CO 0.10 -0.58 0.46 0.41 -1.57 0.00 0.00 175.55 174.36 1weu n GLY 12 N -0.72 2.18 3.23 0.71 0.00 -1.26 -5.19 105.19 104.14 1weu n GLY 12 Ca -0.02 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.75 0.84 0.44 1.61 -1.94 -1.26 -5.18 119.30 111.06 1weu s MET 13 Ca 0.27 -0.75 -0.07 0.00 -1.71 0.00 0.00 55.69 53.43 1weu s MET 13 Cb -0.01 0.35 0.11 0.00 2.01 0.00 0.00 34.83 37.29 1weu s MET 13 CO 0.20 -0.27 0.39 -0.35 -0.01 0.00 0.00 175.02 174.97 1weu n PRO 14 N 0.22 -1.78 -4.23 2.03 -0.04 -1.26 -5.10 135.00 124.84 1weu n PRO 14 Ca -0.17 -0.63 -0.15 0.00 -0.04 0.00 0.00 63.50 62.51 1weu n PRO 14 Cb 0.61 -0.59 -0.09 0.00 -0.04 0.00 0.00 33.50 33.40 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 -2.57 0.86 0.06 3.54 0.01 -1.26 -5.17 113.70 109.18 1weu s SER 15 Ca 0.25 -1.55 0.04 0.00 1.31 0.00 0.00 55.95 56.00 1weu s SER 15 Cb -0.02 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1weu s SER 15 CO 0.20 -0.97 0.01 0.54 0.41 0.00 0.00 173.24 173.43 1weu s VAL 16 N -3.79 4.11 0.13 3.43 0.11 -1.26 -5.12 120.40 118.01 1weu s VAL 16 Ca 0.39 -0.86 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1weu s VAL 16 Cb 0.04 -2.93 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 1weu s VAL 16 CO 0.19 0.19 0.22 -0.89 -3.33 0.00 0.00 175.10 171.48 1weu s THR 17 N -1.26 5.07 0.43 5.04 2.01 -1.26 -5.12 115.64 120.56 1weu s THR 17 Ca 0.24 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1weu s THR 17 Cb -0.12 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1weu s THR 17 CO 0.17 -0.04 0.62 -0.36 -0.69 0.00 0.00 174.62 174.31 1weu s PHE 18 N -1.68 3.08 -0.27 4.92 0.08 -1.26 -5.12 117.98 117.73 1weu s PHE 18 Ca 0.33 -0.02 -0.27 0.00 0.12 0.00 0.00 56.93 57.10 1weu s PHE 18 Cb -0.11 -2.31 0.16 0.00 -0.57 0.00 0.00 43.02 40.19 1weu s PHE 18 CO 0.27 -0.36 1.23 0.20 -0.10 0.00 0.00 175.22 176.46 1weu s GLY 19 N -4.26 0.06 0.18 4.36 0.00 -1.26 -5.19 107.32 101.22 1weu s GLY 19 Ca 0.50 2.91 -0.23 0.00 0.00 0.00 0.00 44.72 47.90 1weu s GLY 19 CO 0.35 1.63 0.65 -0.45 0.00 0.00 0.00 173.10 175.28 1weu s SER 20 N -0.27 -0.47 0.03 1.64 0.15 -1.26 -5.16 113.70 108.36 1weu s SER 20 Ca 0.05 -0.17 -0.17 0.00 0.70 0.00 0.00 55.95 56.36 1weu s SER 20 Cb -0.04 0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 64.84 1weu s SER 20 CO -0.09 -1.06 0.48 0.54 1.20 0.00 0.00 173.24 174.32 1weu s VAL 21 N -3.76 4.90 -0.70 4.45 0.11 -1.26 -4.93 120.40 119.22 1weu s VAL 21 Ca 0.04 1.01 -0.28 0.00 -2.93 0.00 0.00 61.98 59.81 1weu s VAL 21 Cb -0.02 -3.80 -0.17 0.00 -1.53 0.00 0.00 36.38 30.86 1weu s VAL 21 CO -0.07 0.57 2.07 1.41 -3.33 0.00 0.00 175.10 175.74 1weu n HIS 22 N 1.80 0.60 -0.00 1.54 8.25 -1.26 -4.79 115.22 121.36 1weu n HIS 22 Ca -0.12 0.40 -0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1weu n HIS 22 Cb 0.52 -1.92 -0.10 0.00 1.12 0.00 0.00 29.99 29.61 1weu n HIS 22 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1weu h PRO 23 N 9.06 -0.03 -5.69 -0.41 0.13 -2.06 -3.48 132.00 129.54 1weu h PRO 23 Ca -0.05 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.71 1weu h PRO 23 Cb 1.09 0.01 0.15 0.00 0.13 0.00 0.00 31.00 32.38 1weu h PRO 23 CO 1.06 0.45 -0.70 0.45 -0.23 0.00 0.00 178.00 179.03 1weu n SER 24 N -4.87 -4.75 -4.38 1.44 2.88 -1.26 -4.93 113.62 97.74 1weu n SER 24 Ca -0.08 -0.56 -0.45 0.00 -1.33 0.00 0.00 58.87 56.44 1weu n SER 24 Cb 0.25 -4.98 -0.01 0.00 -0.75 0.00 0.00 64.21 58.72 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 -3.69 6.93 -0.20 -3.46 1.01 -1.26 -4.95 116.67 111.05 1weu s ASP 25 Ca 0.37 -2.84 -0.06 0.00 0.71 0.00 0.00 52.55 50.73 1weu s ASP 25 Cb -0.16 -2.28 0.10 0.00 1.01 0.00 0.00 42.92 41.59 1weu s ASP 25 CO 0.71 -0.62 0.39 -0.69 0.21 0.00 0.00 175.17 175.17 1weu s VAL 26 N 0.51 -0.61 0.34 -1.27 1.01 -1.26 -5.16 120.40 113.96 1weu s VAL 26 Ca 0.28 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.46 1weu s VAL 26 Cb -0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1weu s VAL 26 CO -0.08 0.03 0.33 -0.76 0.00 0.00 0.00 175.10 174.62 1weu s LEU 27 N 2.57 3.63 -0.13 3.92 1.02 -1.26 -5.12 118.68 123.31 1weu s LEU 27 Ca 0.02 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 53.71 1weu s LEU 27 Cb -0.13 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.82 1weu s LEU 27 CO -0.13 -0.40 -0.14 -1.81 0.02 0.00 0.00 176.35 173.90 1weu s ASP 28 N -4.04 2.51 0.20 2.29 1.11 -1.26 -5.13 116.67 112.35 1weu s ASP 28 Ca 0.42 -0.44 0.01 0.00 0.18 0.00 0.00 52.55 52.73 1weu s ASP 28 Cb -0.06 -1.10 -0.04 0.00 1.07 0.00 0.00 42.92 42.79 1weu s ASP 28 CO 0.27 -0.04 0.37 -0.04 1.18 0.00 0.00 175.17 176.92 1weu s MET 29 N 1.32 3.48 0.98 8.23 -1.94 -1.26 -5.10 119.30 125.01 1weu s MET 29 Ca 0.00 -0.48 -0.12 0.00 -1.71 0.00 0.00 55.69 53.38 1weu s MET 29 Cb -0.14 -2.87 0.18 0.00 2.01 0.00 0.00 34.83 34.01 1weu s MET 29 CO -0.07 0.42 1.09 -1.25 -0.01 0.00 0.00 175.02 175.20 1weu s PRO 30 N -3.48 0.57 0.66 2.03 0.04 -1.26 -5.00 135.00 128.56 1weu s PRO 30 Ca 0.37 0.57 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 1weu s PRO 30 Cb -0.11 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1weu s PRO 30 CO 0.29 -2.65 1.21 0.54 0.04 0.00 0.00 177.00 176.44 1weu s VAL 31 N -2.96 2.44 0.13 -0.36 0.11 -1.26 -5.05 120.40 113.46 1weu s VAL 31 Ca 0.65 0.25 0.06 0.00 -2.93 0.00 0.00 61.98 60.01 1weu s VAL 31 Cb -0.18 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 1weu s VAL 31 CO 0.57 -0.09 -0.14 -1.81 -3.33 0.00 0.00 175.10 170.30 1weu s ASP 32 N -1.81 2.05 0.00 3.54 1.01 -1.26 -5.02 116.67 115.18 1weu s ASP 32 Ca 0.76 -0.83 0.11 0.00 0.71 0.00 0.00 52.55 53.30 1weu s ASP 32 Cb -0.30 -0.07 0.66 0.00 1.01 0.00 0.00 42.92 44.22 1weu s ASP 32 CO 0.40 -0.15 1.10 -0.81 0.21 0.00 0.00 175.17 175.92 1weu n PRO 33 N 0.45 0.49 -0.36 8.23 -0.04 -1.26 -3.46 135.00 139.05 1weu n PRO 33 Ca -0.15 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.36 1weu n PRO 33 Cb 0.57 -1.36 0.21 0.00 -0.04 0.00 0.00 33.50 32.88 1weu n PRO 33 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1weu h ASN 34 N 0.00 0.99 -1.81 3.54 -1.24 -2.02 -3.44 115.58 111.60 1weu h ASN 34 Ca 0.00 0.02 -0.53 0.00 0.71 0.00 0.00 56.30 56.50 1weu h ASN 34 Cb 0.00 -0.18 0.18 0.00 0.73 0.00 0.00 38.32 39.05 1weu h ASN 34 CO 0.00 0.60 -1.26 -0.62 -1.29 0.00 0.00 177.43 174.86 1weu n GLU 35 N -4.54 0.00 -0.81 6.67 1.02 -1.22 -4.94 120.64 116.82 1weu n GLU 35 Ca 0.17 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 1weu n GLU 35 Cb 0.25 -0.91 0.20 0.00 -0.02 0.00 0.00 31.44 30.96 1weu n GLU 35 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1weu n PRO 36 N 1.66 -2.69 -4.45 3.49 -0.04 -1.26 -4.82 135.00 126.88 1weu n PRO 36 Ca 0.04 -1.37 -0.21 0.00 -0.04 0.00 0.00 63.50 61.93 1weu n PRO 36 Cb 0.45 -1.28 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 1weu n PRO 36 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1weu s THR 37 N -2.55 1.12 0.03 0.52 -4.23 -1.26 -4.14 115.64 105.13 1weu s THR 37 Ca 0.56 -0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 1weu s THR 37 Cb -0.05 -0.99 -0.00 0.00 1.34 0.00 0.00 72.50 72.79 1weu s THR 37 CO 0.43 0.11 -0.02 -1.22 -0.54 0.00 0.00 174.62 173.38 1weu n TYR 38 N 2.17 0.00 -0.89 3.99 4.02 -1.16 -4.86 117.16 120.43 1weu n TYR 38 Ca -0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.44 1weu n TYR 38 Cb 0.55 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.17 0.68 -1.45 0.00 4.07 -1.96 0.18 115.31 116.67 1weu h LEU 40 Ca -0.31 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1weu h LEU 40 Cb 1.06 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1weu h LEU 40 CO 0.28 0.37 0.20 0.00 -1.08 0.00 0.00 178.44 178.22 1weu n HIS 42 N -2.38 -0.88 -4.44 0.00 -0.00 0.65 -5.06 115.22 103.11 1weu n HIS 42 Ca -0.01 0.38 -0.22 0.00 0.46 0.00 0.00 57.72 58.32 1weu n HIS 42 Cb 0.23 -3.24 -0.10 0.00 -0.12 0.00 0.00 29.99 26.77 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 -4.53 1.57 0.28 1.57 -0.21 -1.26 -4.88 119.66 112.21 1weu s GLN 43 Ca 0.00 -1.74 -0.30 0.00 0.02 0.00 0.00 55.36 53.35 1weu s GLN 43 Cb -0.00 -1.46 -0.10 0.00 1.00 0.00 0.00 33.01 32.45 1weu s GLN 43 CO 0.29 0.21 1.42 0.54 -2.12 0.00 0.00 175.29 175.64 1weu s VAL 44 N -2.75 2.59 0.22 1.09 0.11 -1.26 -2.97 120.40 117.43 1weu s VAL 44 Ca 0.28 0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 59.55 1weu s VAL 44 Cb -0.01 -3.33 -0.09 0.00 -1.53 0.00 0.00 36.38 31.42 1weu s VAL 44 CO 0.12 0.10 1.28 -0.94 -3.33 0.00 0.00 175.10 172.32 1weu s SER 45 N 0.16 6.94 -0.21 3.54 1.04 -1.26 -4.95 113.70 118.95 1weu s SER 45 Ca 0.57 2.40 -0.13 0.00 0.48 0.00 0.00 55.95 59.27 1weu s SER 45 Cb -0.42 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.15 1weu s SER 45 CO 0.47 -0.48 0.52 -0.72 0.98 0.00 0.00 173.24 174.01 1weu s TYR 46 N -0.14 -0.75 0.00 5.02 -0.85 -1.26 -5.08 117.35 114.30 1weu s TYR 46 Ca 0.54 1.58 0.00 0.00 -0.52 0.00 0.00 57.07 58.67 1weu s TYR 46 Cb -0.36 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.36 1weu s TYR 46 CO 0.40 -0.39 0.00 0.41 -1.52 0.00 0.00 175.55 174.44 1weu n GLY 47 N 4.06 0.20 1.58 5.49 0.00 -1.26 -4.37 105.19 110.88 1weu n GLY 47 Ca -0.21 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.51 1.61 1.02 -1.26 -4.81 120.64 113.69 1weu n GLU 48 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1weu n GLU 48 Cb 0.00 -0.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.74 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1weu s MET 49 N 3.87 1.03 0.00 3.49 -1.94 -1.26 -4.34 119.30 120.15 1weu s MET 49 Ca 0.61 0.12 0.00 0.00 -1.71 0.00 0.00 55.69 54.71 1weu s MET 49 Cb -0.53 0.49 0.00 0.00 2.01 0.00 0.00 34.83 36.80 1weu s MET 49 CO 0.23 -0.35 0.00 0.44 -0.01 0.00 0.00 175.02 175.33 1weu n ILE 50 N 0.67 0.00 -2.14 2.53 -0.00 -1.26 -4.61 119.36 114.55 1weu n ILE 50 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.57 1weu n ILE 50 Cb 0.58 -0.39 -0.00 0.00 -0.00 0.00 0.00 39.64 39.83 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 1.57 -5.26 3.57 3.28 0.00 -1.26 -4.63 105.19 102.46 1weu n GLY 51 Ca 0.00 0.13 -0.52 0.00 0.00 0.00 0.00 46.02 45.63 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 4.02 0.00 -2.80 0.00 3.58 -1.45 -3.42 116.42 116.36 1weu h ASP 53 Ca -0.47 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.42 1weu h ASP 53 Cb 1.35 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.37 1weu h ASP 53 CO 0.74 0.09 0.98 0.21 -2.88 0.00 0.00 179.24 178.38 1weu s ASN 54 N -6.11 6.83 0.28 2.28 2.47 -1.26 -4.91 114.94 114.51 1weu s ASN 54 Ca -0.03 1.89 0.06 0.00 0.42 0.00 0.00 52.86 55.20 1weu s ASN 54 Cb 0.13 -2.54 0.40 0.00 -1.45 0.00 0.00 41.25 37.80 1weu s ASN 54 CO 0.57 -0.84 1.66 1.55 -3.72 0.00 0.00 177.10 176.33 1weu h PRO 55 N 8.77 0.24 -0.59 0.43 0.13 -2.01 -3.12 132.00 135.86 1weu h PRO 55 Ca -0.31 -0.12 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1weu h PRO 55 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1weu h PRO 55 CO 0.97 0.65 0.09 -0.44 -0.23 0.00 0.00 178.00 179.04 1weu h ASP 56 N 0.19 0.94 -0.96 1.44 5.19 -1.96 -3.45 116.42 117.82 1weu h ASP 56 Ca 0.01 -0.26 -0.72 0.00 -0.62 0.00 0.00 57.03 55.44 1weu h ASP 56 Cb 0.89 -0.25 0.07 0.00 0.18 0.00 0.00 39.33 40.22 1weu h ASP 56 CO 0.07 0.96 -0.12 0.00 -3.12 0.00 0.00 179.24 177.04 1weu h SER 58 N 2.29 0.02 0.52 0.00 0.87 -1.90 -3.37 113.55 111.98 1weu h SER 58 Ca -0.42 -0.76 -0.03 0.00 -1.23 0.00 0.00 61.79 59.35 1weu h SER 58 Cb 1.37 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 63.33 1weu h SER 58 CO 0.60 0.78 -0.25 0.40 -0.53 0.00 0.00 176.83 177.83 1weu h ILE 59 N -0.73 0.00 -4.71 2.23 2.04 -1.93 -3.46 117.51 110.94 1weu h ILE 59 Ca -0.00 -0.48 -0.18 0.00 1.00 0.00 0.00 64.86 65.19 1weu h ILE 59 Cb 0.78 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1weu h ILE 59 CO 0.00 0.00 -0.25 -1.84 0.00 0.00 0.00 178.15 176.07 1weu n GLU 60 N -5.22 -2.64 -3.66 2.37 0.00 -1.26 -4.88 120.64 105.34 1weu n GLU 60 Ca -0.09 0.31 -0.08 0.00 0.00 0.00 0.00 57.16 57.31 1weu n GLU 60 Cb 0.27 -4.88 -0.08 0.00 0.00 0.00 0.00 31.44 26.75 1weu n GLU 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1weu s TRP 61 N -2.43 -0.89 0.20 -1.84 0.52 -1.26 -3.01 118.94 110.22 1weu s TRP 61 Ca 0.10 1.75 -0.06 0.00 0.02 0.00 0.00 56.10 57.91 1weu s TRP 61 Cb -0.05 0.47 0.02 0.00 -1.15 0.00 0.00 33.47 32.76 1weu s TRP 61 CO 0.12 -0.48 0.37 1.19 0.02 0.00 0.00 176.95 178.18 1weu n PHE 62 N 4.67 -1.54 -4.11 -1.98 3.72 -1.26 -2.75 117.46 114.20 1weu n PHE 62 Ca -0.18 -1.02 -0.27 0.00 -0.05 0.00 0.00 57.45 55.93 1weu n PHE 62 Cb 0.54 0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 39.50 1weu n PHE 62 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1weu n HIS 63 N -0.28 -0.13 0.02 1.38 8.25 -1.26 -4.08 115.22 119.11 1weu n HIS 63 Ca -0.03 -2.27 -0.21 0.00 -0.26 0.00 0.00 57.72 54.94 1weu n HIS 63 Cb 0.31 -0.40 -0.14 0.00 1.12 0.00 0.00 29.99 30.88 1weu n HIS 63 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1weu h PHE 64 N 0.83 0.52 0.00 4.41 0.04 -1.84 -3.32 116.94 117.57 1weu h PHE 64 Ca -0.35 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.04 1weu h PHE 64 Cb 1.22 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1weu h PHE 64 CO 0.00 1.75 0.00 0.00 -0.60 0.00 0.00 178.31 179.46 1weu n ALA 65 N -2.96 2.35 -0.01 2.45 0.00 -1.26 0.82 120.51 121.90 1weu n ALA 65 Ca -0.30 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.15 1weu n ALA 65 Cb 1.05 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.81 0.11 -2.29 0.00 0.24 -1.10 -5.02 118.33 108.46 1weu n VAL 67 Ca -0.03 -0.18 -0.02 0.00 -2.04 0.00 0.00 64.34 62.07 1weu n VAL 67 Cb 0.27 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 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 -0.05 -0.90 2.49 7.63 0.00 0.24 -5.03 105.19 109.57 1weu n GLY 68 Ca 0.00 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.97 1.21 -0.11 0.99 4.77 -0.58 -4.99 117.00 117.31 1weu n LEU 69 Ca 0.03 -4.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 1weu n LEU 69 Cb 0.39 0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1weu n LEU 69 CO 0.27 1.90 0.18 0.41 -1.33 0.00 0.00 177.39 178.83 1weu n THR 70 N 2.02 -0.14 -4.29 -5.08 -1.04 -1.26 -4.47 114.28 100.01 1weu n THR 70 Ca 0.25 0.68 -0.17 0.00 -2.04 0.00 0.00 64.05 62.77 1weu n THR 70 Cb 0.45 -0.92 -0.09 0.00 -1.82 0.00 0.00 70.33 67.95 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 -5.31 0.16 -0.34 12.58 -1.32 -1.26 -5.06 115.64 115.09 1weu s THR 71 Ca -0.04 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.15 1weu s THR 71 Cb 0.07 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.57 1weu s THR 71 CO 0.22 0.00 1.12 -0.75 -2.21 0.00 0.00 174.62 173.00 1weu s LYS 72 N -3.79 4.00 0.45 7.08 2.20 -1.26 -4.90 119.74 123.51 1weu s LYS 72 Ca 0.38 1.03 0.24 0.00 -0.36 0.00 0.00 55.97 57.26 1weu s LYS 72 Cb 0.05 -3.78 1.04 0.00 -1.51 0.00 0.00 37.83 33.62 1weu s LYS 72 CO 0.19 -1.00 1.88 -1.00 -0.36 0.00 0.00 175.35 175.06 1weu h PRO 73 N 8.44 0.00 -5.66 4.03 0.13 -1.91 -3.46 132.00 133.57 1weu h PRO 73 Ca -0.22 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.54 1weu h PRO 73 Cb 1.07 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.99 1weu h PRO 73 CO 1.05 0.22 -0.54 0.54 -0.23 0.00 0.00 178.00 179.03 1weu n ARG 74 N -3.48 -0.86 0.00 0.86 1.74 -1.26 -4.60 116.66 109.06 1weu n ARG 74 Ca -0.00 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1weu n ARG 74 Cb 0.39 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1weu n GLY 75 N -1.10 1.27 2.59 -0.13 0.00 -1.26 -5.06 105.19 101.49 1weu n GLY 75 Ca 0.01 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 1.53 -4.09 1.61 4.76 -1.26 -4.88 118.16 115.83 1weu n LYS 76 Ca 0.00 -4.11 -0.33 0.00 -2.87 0.00 0.00 58.31 51.00 1weu n LYS 76 Cb 0.00 -2.02 -0.16 0.00 -1.84 0.00 0.00 35.03 31.01 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 -1.37 2.93 -0.22 2.13 -0.00 -1.26 -5.01 118.94 116.13 1weu s TRP 77 Ca 0.32 -1.79 -0.06 0.00 -0.00 0.00 0.00 56.10 54.57 1weu s TRP 77 Cb 0.05 -1.94 -0.02 0.00 -0.00 0.00 0.00 33.47 31.56 1weu s TRP 77 CO -0.13 -0.81 0.03 -0.06 -0.00 0.00 0.00 176.95 175.97 1weu s PHE 78 N 1.25 3.06 0.75 5.86 0.40 -1.26 -1.13 117.98 126.90 1weu s PHE 78 Ca 0.01 -0.49 -0.17 0.00 -0.60 0.00 0.00 56.93 55.68 1weu s PHE 78 Cb -0.15 -2.16 -0.14 0.00 0.51 0.00 0.00 43.02 41.09 1weu s PHE 78 CO -0.10 -0.32 -0.36 0.00 0.70 0.00 0.00 175.22 175.14 1weu n PRO 80 N 1.70 0.49 -0.03 0.00 -0.04 -1.26 -2.10 135.00 133.75 1weu n PRO 80 Ca 0.04 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1weu n PRO 80 Cb 0.51 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.59 1.43 -0.09 0.54 1.74 -1.26 -4.55 116.66 113.87 1weu n ARG 81 Ca 0.02 -0.05 -0.18 0.00 -0.77 0.00 0.00 57.85 56.87 1weu n ARG 81 Cb 0.01 -1.28 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.92 -4.60 0.00 0.87 -1.75 -3.46 113.55 101.70 1weu h SER 83 Ca -0.24 0.30 -0.28 0.00 -1.23 0.00 0.00 61.79 60.34 1weu h SER 83 Cb 1.13 0.86 0.11 0.00 -0.44 0.00 0.00 62.40 64.05 1weu h SER 83 CO -0.15 -0.29 -0.52 1.67 -0.53 0.00 0.00 176.83 177.01 1weu n GLN 84 N -5.33 -5.56 -4.35 2.24 -0.06 -1.26 -5.02 117.38 98.04 1weu n GLN 84 Ca 0.02 0.61 -0.20 0.00 -2.00 0.00 0.00 57.00 55.43 1weu n GLN 84 Cb 0.31 -4.98 -0.09 0.00 -4.06 0.00 0.00 30.24 21.42 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 -5.67 1.69 -0.20 3.69 0.41 -1.26 -5.18 118.70 112.19 1weu s GLU 85 Ca 0.30 -1.98 -0.28 0.00 -0.41 0.00 0.00 54.97 52.59 1weu s GLU 85 Cb -0.13 -0.05 0.12 0.00 -1.78 0.00 0.00 34.13 32.29 1weu s GLU 85 CO 0.54 -0.51 1.01 -1.54 -0.49 0.00 0.00 175.26 174.26 1weu s SER 86 N -3.41 -0.40 0.80 -0.19 1.04 -1.26 -5.14 113.70 105.14 1weu s SER 86 Ca 0.35 0.56 -0.05 0.00 0.48 0.00 0.00 55.95 57.29 1weu s SER 86 Cb 0.04 0.50 0.15 0.00 0.10 0.00 0.00 66.02 66.80 1weu s SER 86 CO 0.20 -0.28 0.95 0.61 0.98 0.00 0.00 173.24 175.69 1weu n GLY 87 N 1.24 -0.10 3.65 7.32 0.00 -1.26 -5.01 105.19 111.02 1weu n GLY 87 Ca -0.11 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 -4.96 4.02 -0.22 1.61 0.04 -1.26 -4.90 135.00 129.32 1weu s PRO 88 Ca 0.59 1.86 -0.19 0.00 0.04 0.00 0.00 61.00 63.30 1weu s PRO 88 Cb -0.03 -3.97 -0.18 0.00 0.04 0.00 0.00 34.50 30.37 1weu s PRO 88 CO 0.40 -1.02 0.08 -1.13 0.04 0.00 0.00 177.00 175.37 1weu n SER 89 N 7.61 1.90 -4.57 6.66 3.41 -1.26 -4.79 113.62 122.57 1weu n SER 89 Ca 0.17 0.38 -0.41 0.00 -0.26 0.00 0.00 58.87 58.75 1weu n SER 89 Cb 0.44 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 1weu n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1weu s SER 90 N -7.01 6.18 0.00 4.04 1.04 -1.26 -5.35 113.70 111.33 1weu s SER 90 Ca -0.31 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1weu s SER 90 Cb 0.08 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1weu s SER 90 CO 0.58 -1.71 0.30 0.61 0.98 0.00 0.00 173.24 174.00