#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 -0.02 0.04 1.61 0.01 -1.26 -5.19 113.70 108.89 1weu s SER 2 Ca 0.00 -0.71 -0.27 0.00 1.31 0.00 0.00 55.95 56.28 1weu s SER 2 Cb 0.00 0.55 0.09 0.00 0.21 0.00 0.00 66.02 66.87 1weu s SER 2 CO 0.00 -1.09 1.21 -0.94 0.41 0.00 0.00 173.24 172.84 1weu s SER 3 N -3.29 -0.01 0.04 2.44 1.04 -1.26 -5.20 113.70 107.46 1weu s SER 3 Ca 0.20 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 56.13 1weu s SER 3 Cb -0.03 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.40 1weu s SER 3 CO 0.06 -0.49 0.78 0.61 0.98 0.00 0.00 173.24 175.18 1weu n GLY 4 N -0.78 0.54 3.90 7.32 0.00 -1.26 -5.19 105.19 109.72 1weu n GLY 4 Ca -0.00 -1.01 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 -2.77 -0.01 0.04 1.61 1.04 -1.26 -5.20 113.70 107.15 1weu s SER 5 Ca 0.18 -0.29 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 1weu s SER 5 Cb -0.01 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.43 1weu s SER 5 CO 0.01 -0.44 1.22 -0.94 0.98 0.00 0.00 173.24 174.07 1weu s SER 6 N -3.57 -0.00 0.00 7.02 1.04 -1.26 -5.19 113.70 111.73 1weu s SER 6 Ca 0.25 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1weu s SER 6 Cb -0.00 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1weu s SER 6 CO -0.00 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1weu n GLY 7 N -0.80 3.34 3.30 7.32 0.00 -1.26 -5.17 105.19 111.92 1weu n GLY 7 Ca 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 44.92 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 0.37 -0.59 1.15 1.61 1.04 -1.26 -5.18 113.70 110.84 1weu s SER 8 Ca 0.00 0.64 -0.12 0.00 0.48 0.00 0.00 55.95 56.94 1weu s SER 8 Cb 0.00 1.60 0.18 0.00 0.10 0.00 0.00 66.02 67.90 1weu s SER 8 CO 0.00 -0.11 0.65 -0.81 0.98 0.00 0.00 173.24 173.95 1weu n PRO 9 N 5.14 -2.29 -3.85 4.02 -0.04 -1.26 -5.10 135.00 131.62 1weu n PRO 9 Ca -0.08 -1.04 -0.09 0.00 -0.04 0.00 0.00 63.50 62.25 1weu n PRO 9 Cb 0.53 -0.97 -0.05 0.00 -0.04 0.00 0.00 33.50 32.97 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 -4.47 1.35 0.33 0.54 2.12 -1.26 -5.19 118.70 112.12 1weu s GLU 10 Ca 0.42 -1.03 -0.08 0.00 0.36 0.00 0.00 54.97 54.64 1weu s GLU 10 Cb -0.04 0.47 0.01 0.00 0.26 0.00 0.00 34.13 34.83 1weu s GLU 10 CO 0.32 -0.55 0.55 0.71 -0.54 0.00 0.00 175.26 175.75 1weu s TYR 11 N -3.93 0.65 0.00 5.30 2.02 -1.26 -5.19 117.35 114.94 1weu s TYR 11 Ca 0.14 -1.02 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 1weu s TYR 11 Cb 0.00 0.21 0.00 0.00 -0.40 0.00 0.00 41.96 41.77 1weu s TYR 11 CO 0.00 -1.20 0.00 0.41 -1.57 0.00 0.00 175.55 173.19 1weu n GLY 12 N -0.51 4.66 3.53 0.71 0.00 -1.26 -5.18 105.19 107.15 1weu n GLY 12 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 1weu n GLY 12 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1weu s MET 13 N 1.56 0.35 0.40 1.61 0.23 -1.26 -5.18 119.30 117.01 1weu s MET 13 Ca 0.00 0.74 -0.07 0.00 -1.03 0.00 0.00 55.69 55.33 1weu s MET 13 Cb 0.00 0.29 0.10 0.00 -1.53 0.00 0.00 34.83 33.68 1weu s MET 13 CO 0.00 -0.10 0.35 -0.35 -2.03 0.00 0.00 175.02 172.90 1weu n PRO 14 N 4.39 -1.71 -3.45 3.16 -0.04 -1.26 -5.10 135.00 130.98 1weu n PRO 14 Ca -0.14 -0.57 -0.11 0.00 -0.04 0.00 0.00 63.50 62.65 1weu n PRO 14 Cb 0.55 -0.53 -0.02 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.46 -0.50 0.02 3.54 1.04 -1.26 -5.18 113.70 108.90 1weu s SER 15 Ca 0.23 -0.00 0.02 0.00 0.48 0.00 0.00 55.95 56.68 1weu s SER 15 Cb -0.02 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 1weu s SER 15 CO 0.18 -0.85 -0.07 0.68 0.98 0.00 0.00 173.24 174.16 1weu s VAL 16 N -3.53 0.50 0.01 5.02 -7.23 -1.26 -5.16 120.40 108.75 1weu s VAL 16 Ca 0.02 -0.62 -0.08 0.00 -1.81 0.00 0.00 61.98 59.49 1weu s VAL 16 Cb -0.01 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1weu s VAL 16 CO -0.11 -0.10 0.16 -0.89 -0.31 0.00 0.00 175.10 173.85 1weu s THR 17 N -0.69 0.09 0.52 5.32 2.01 -1.26 -5.18 115.64 116.44 1weu s THR 17 Ca -0.03 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.32 1weu s THR 17 Cb -0.06 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 71.95 1weu s THR 17 CO 0.00 -0.39 0.42 -0.36 -0.69 0.00 0.00 174.62 173.60 1weu s PHE 18 N -1.57 1.86 -0.30 4.92 0.08 -1.26 -5.12 117.98 116.60 1weu s PHE 18 Ca -0.13 -0.75 -0.03 0.00 0.12 0.00 0.00 56.93 56.14 1weu s PHE 18 Cb -0.06 -1.99 0.11 0.00 -0.57 0.00 0.00 43.02 40.51 1weu s PHE 18 CO 0.01 -0.43 0.17 0.20 -0.10 0.00 0.00 175.22 175.07 1weu s GLY 19 N -4.27 0.40 -0.23 4.36 0.00 -1.26 -5.09 107.32 101.23 1weu s GLY 19 Ca 0.39 -1.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 1weu s GLY 19 CO 0.24 2.19 0.30 -0.56 0.00 0.00 0.00 173.10 175.27 1weu s SER 20 N 2.06 0.89 -0.13 1.64 0.01 -1.26 -5.14 113.70 111.77 1weu s SER 20 Ca 0.10 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1weu s SER 20 Cb -0.16 0.72 0.12 0.00 0.21 0.00 0.00 66.02 66.91 1weu s SER 20 CO -0.33 -0.32 0.96 0.54 0.41 0.00 0.00 173.24 174.50 1weu s VAL 21 N 2.43 0.00 0.06 3.43 0.11 -1.26 -5.13 120.40 120.03 1weu s VAL 21 Ca 0.10 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.82 1weu s VAL 21 Cb -0.15 -1.00 -0.17 0.00 -1.53 0.00 0.00 36.38 33.53 1weu s VAL 21 CO -0.16 0.00 0.80 0.00 -3.33 0.00 0.00 175.10 172.41 1weu n HIS 22 N 0.55 0.26 -1.43 1.54 1.44 -1.26 -4.88 115.22 111.43 1weu n HIS 22 Ca -0.10 0.92 -0.32 0.00 -2.01 0.00 0.00 57.72 56.21 1weu n HIS 22 Cb 0.59 -1.83 0.08 0.00 0.12 0.00 0.00 29.99 28.94 1weu n HIS 22 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1weu s PRO 23 N -0.28 2.45 1.02 -1.40 0.04 -1.26 -5.00 135.00 130.56 1weu s PRO 23 Ca 0.74 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.90 1weu s PRO 23 Cb -1.04 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 31.73 1weu s PRO 23 CO 0.51 -1.51 0.73 -1.13 0.04 0.00 0.00 177.00 175.64 1weu n SER 24 N -3.13 -1.23 -3.72 6.66 3.41 -1.26 -5.01 113.62 109.34 1weu n SER 24 Ca 0.10 0.18 -0.30 0.00 -0.26 0.00 0.00 58.87 58.59 1weu n SER 24 Cb 0.53 -1.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.06 1weu n SER 24 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1weu s ASP 25 N -2.29 3.91 -0.30 4.04 -4.77 -1.26 -5.07 116.67 110.93 1weu s ASP 25 Ca 0.63 -1.91 -0.12 0.00 -3.30 0.00 0.00 52.55 47.85 1weu s ASP 25 Cb -0.21 -0.90 0.15 0.00 -1.09 0.00 0.00 42.92 40.86 1weu s ASP 25 CO 0.64 -0.38 0.81 0.54 0.70 0.00 0.00 175.17 177.48 1weu s VAL 26 N 1.28 -0.76 1.13 2.11 0.11 -1.26 -5.17 120.40 117.84 1weu s VAL 26 Ca 0.12 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.00 1weu s VAL 26 Cb -0.19 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 33.84 1weu s VAL 26 CO -0.17 0.00 0.30 0.00 -3.33 0.00 0.00 175.10 171.89 1weu n LEU 27 N 5.25 -1.64 -4.27 2.54 -0.00 -1.26 -4.94 117.00 112.68 1weu n LEU 27 Ca -0.10 -0.35 -0.41 0.00 -0.00 0.00 0.00 56.01 55.15 1weu n LEU 27 Cb 0.51 -0.90 -0.09 0.00 -0.00 0.00 0.00 43.42 42.94 1weu n LEU 27 CO -0.04 -3.38 -0.05 -1.81 -0.00 0.00 0.00 177.39 172.11 1weu s ASP 28 N -2.09 5.74 0.32 1.45 1.01 -1.26 -5.08 116.67 116.75 1weu s ASP 28 Ca 0.50 -1.63 -0.27 0.00 0.71 0.00 0.00 52.55 51.86 1weu s ASP 28 Cb -0.10 -2.02 -0.09 0.00 1.01 0.00 0.00 42.92 41.71 1weu s ASP 28 CO 0.51 -0.61 1.03 0.00 0.21 0.00 0.00 175.17 176.31 1weu s MET 29 N 1.44 4.53 0.90 8.23 0.23 -1.26 -5.04 119.30 128.33 1weu s MET 29 Ca 0.04 1.57 -0.12 0.00 -1.03 0.00 0.00 55.69 56.15 1weu s MET 29 Cb -0.24 -2.94 0.13 0.00 -1.53 0.00 0.00 34.83 30.25 1weu s MET 29 CO 0.02 0.18 1.09 -1.25 -2.03 0.00 0.00 175.02 173.02 1weu s PRO 30 N -1.82 1.20 0.34 3.16 0.04 -1.26 -5.00 135.00 131.65 1weu s PRO 30 Ca 0.49 0.80 -0.27 0.00 0.04 0.00 0.00 61.00 62.06 1weu s PRO 30 Cb -0.25 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1weu s PRO 30 CO 0.32 -2.27 1.11 0.08 0.04 0.00 0.00 177.00 176.28 1weu s VAL 31 N -2.94 3.44 0.13 -0.36 1.01 -1.26 -5.06 120.40 115.37 1weu s VAL 31 Ca 0.64 1.31 0.07 0.00 0.00 0.00 0.00 61.98 64.00 1weu s VAL 31 Cb -0.18 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1weu s VAL 31 CO 0.57 0.21 -0.17 -1.81 0.00 0.00 0.00 175.10 173.90 1weu s ASP 32 N -1.09 2.31 0.00 3.32 1.01 -1.26 -5.01 116.67 115.94 1weu s ASP 32 Ca 0.51 -0.79 0.06 0.00 0.71 0.00 0.00 52.55 53.03 1weu s ASP 32 Cb -0.29 -0.11 0.35 0.00 1.01 0.00 0.00 42.92 43.88 1weu s ASP 32 CO 0.38 -0.06 0.81 -0.81 0.21 0.00 0.00 175.17 175.69 1weu n PRO 33 N 0.61 0.49 -0.54 8.23 -0.04 -1.26 -3.86 135.00 138.62 1weu n PRO 33 Ca -0.16 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 1weu n PRO 33 Cb 0.56 -1.19 0.01 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.69 5.43 -3.63 3.54 3.02 -1.26 -4.80 115.26 116.87 1weu n ASN 34 Ca 0.04 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 52.00 1weu n ASN 34 Cb 0.02 -1.10 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 1weu n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1weu s GLU 35 N -0.27 1.16 0.14 3.52 2.02 -1.25 -5.15 118.70 118.88 1weu s GLU 35 Ca 0.05 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 54.01 1weu s GLU 35 Cb 0.04 0.49 -0.08 0.00 0.10 0.00 0.00 34.13 34.68 1weu s GLU 35 CO -0.00 -0.47 1.34 -1.25 0.02 0.00 0.00 175.26 174.90 1weu s PRO 36 N -3.81 4.36 0.06 0.39 0.04 -1.26 -4.83 135.00 129.95 1weu s PRO 36 Ca 0.04 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.19 1weu s PRO 36 Cb 0.01 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1weu s PRO 36 CO -0.10 -0.35 -0.14 0.95 0.04 0.00 0.00 177.00 177.40 1weu s THR 37 N 0.72 3.13 0.18 1.26 -4.23 -1.26 -3.77 115.64 111.68 1weu s THR 37 Ca 0.61 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1weu s THR 37 Cb -0.36 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1weu s THR 37 CO 0.33 0.25 0.00 -1.22 -0.54 0.00 0.00 174.62 173.44 1weu n TYR 38 N 1.19 -1.17 -0.99 3.99 4.02 -1.19 -4.88 117.16 118.14 1weu n TYR 38 Ca -0.15 0.21 -0.37 0.00 -0.01 0.00 0.00 57.90 57.58 1weu n TYR 38 Cb 0.52 0.28 0.04 0.00 -0.02 0.00 0.00 39.34 40.16 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 -1.02 0.07 -0.70 0.00 3.38 -1.96 0.67 115.31 115.75 1weu h LEU 40 Ca -0.43 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1weu h LEU 40 Cb 1.32 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1weu h LEU 40 CO 0.23 0.08 0.09 0.00 0.09 0.00 0.00 178.44 178.93 1weu n HIS 42 N -1.86 -1.42 -4.46 0.00 8.25 0.23 -5.05 115.22 110.91 1weu n HIS 42 Ca -0.01 0.59 -0.24 0.00 -0.26 0.00 0.00 57.72 57.80 1weu n HIS 42 Cb 0.11 -3.90 -0.10 0.00 1.12 0.00 0.00 29.99 27.22 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 -4.71 1.71 0.26 -0.41 -0.21 -1.26 -4.81 119.66 110.23 1weu s GLN 43 Ca 0.05 -1.76 -0.31 0.00 0.02 0.00 0.00 55.36 53.36 1weu s GLN 43 Cb -0.01 -1.79 -0.13 0.00 1.00 0.00 0.00 33.01 32.08 1weu s GLN 43 CO 0.47 0.33 1.38 1.55 -2.12 0.00 0.00 175.29 176.89 1weu n VAL 44 N -0.64 1.15 -2.56 1.09 3.14 -1.26 -3.14 118.33 116.11 1weu n VAL 44 Ca -0.05 -0.29 -0.42 0.00 -2.96 0.00 0.00 64.34 60.63 1weu n VAL 44 Cb 0.60 -1.47 -0.03 0.00 -1.06 0.00 0.00 33.84 31.88 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 0.17 6.30 0.60 6.55 1.04 -1.25 -4.94 113.70 122.18 1weu s SER 45 Ca 0.66 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 1weu s SER 45 Cb -0.64 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 62.99 1weu s SER 45 CO 0.52 -1.67 0.43 0.00 0.98 0.00 0.00 173.24 173.50 1weu n TYR 46 N 8.93 -3.33 0.00 5.02 4.11 -1.26 -5.05 117.16 125.58 1weu n TYR 46 Ca 0.06 -0.68 0.00 0.00 -0.00 0.00 0.00 57.90 57.28 1weu n TYR 46 Cb 0.49 -0.32 0.00 0.00 -0.00 0.00 0.00 39.34 39.51 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 1.82 -0.26 1.84 -7.48 0.00 -1.26 -4.52 105.19 95.32 1weu n GLY 47 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1weu n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1weu n GLU 48 N 0.00 0.00 -3.52 1.61 0.28 -1.26 -4.91 120.64 112.84 1weu n GLU 48 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1weu n GLU 48 Cb 0.00 -0.75 -0.04 0.00 1.43 0.00 0.00 31.44 32.08 1weu n GLU 48 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1weu s MET 49 N 1.12 0.88 0.00 3.44 -1.94 -1.26 -4.71 119.30 116.84 1weu s MET 49 Ca 0.51 0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 1weu s MET 49 Cb -0.72 0.41 0.00 0.00 2.01 0.00 0.00 34.83 36.53 1weu s MET 49 CO 0.38 -0.32 0.00 0.44 -0.01 0.00 0.00 175.02 175.51 1weu n ILE 50 N 0.46 0.00 -1.20 2.53 -0.00 -1.26 -4.95 119.36 114.95 1weu n ILE 50 Ca -0.14 0.00 0.15 0.00 -0.00 0.00 0.00 62.75 62.76 1weu n ILE 50 Cb 0.59 -0.38 -0.08 0.00 -0.00 0.00 0.00 39.64 39.77 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 2.85 -3.16 3.70 3.28 0.00 -1.26 -4.83 105.19 105.78 1weu n GLY 51 Ca 0.00 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 6.96 0.06 -2.60 0.00 3.58 -1.87 -3.41 116.42 119.14 1weu h ASP 53 Ca -0.39 -0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.51 1weu h ASP 53 Cb 1.17 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 1weu h ASP 53 CO 0.74 0.04 1.10 0.21 -2.88 0.00 0.00 179.24 178.46 1weu s ASN 54 N -6.75 6.63 0.50 2.28 2.47 -1.26 -4.88 114.94 113.92 1weu s ASN 54 Ca -0.05 2.23 0.28 0.00 0.42 0.00 0.00 52.86 55.74 1weu s ASN 54 Cb 0.18 -2.53 1.19 0.00 -1.45 0.00 0.00 41.25 38.63 1weu s ASN 54 CO 0.70 -0.96 1.93 1.55 -3.72 0.00 0.00 177.10 176.60 1weu h PRO 55 N 9.71 0.00 -0.04 0.43 0.13 -2.03 -2.97 132.00 137.23 1weu h PRO 55 Ca -0.40 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.51 1weu h PRO 55 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1weu h PRO 55 CO 0.96 0.13 -0.89 -0.44 -0.23 0.00 0.00 178.00 177.53 1weu h ASP 56 N 0.00 0.64 -1.30 1.44 5.19 -1.95 -3.45 116.42 116.99 1weu h ASP 56 Ca -0.00 -0.48 -0.78 0.00 -0.62 0.00 0.00 57.03 55.15 1weu h ASP 56 Cb 0.59 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.92 1weu h ASP 56 CO 0.02 1.26 0.88 0.00 -3.12 0.00 0.00 179.24 178.28 1weu h SER 58 N 6.86 -0.02 0.44 0.00 0.87 -1.90 -3.27 113.55 116.53 1weu h SER 58 Ca -0.43 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1weu h SER 58 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1weu h SER 58 CO 0.98 0.06 -0.21 0.40 -0.53 0.00 0.00 176.83 177.53 1weu h ILE 59 N -0.09 0.30 -7.15 2.23 2.04 -1.92 -3.46 117.51 109.46 1weu h ILE 59 Ca -0.00 -0.58 -0.62 0.00 1.00 0.00 0.00 64.86 64.66 1weu h ILE 59 Cb 0.09 0.46 -0.37 0.00 -0.74 0.00 0.00 36.82 36.26 1weu h ILE 59 CO 0.00 0.06 -0.90 -1.84 0.00 0.00 0.00 178.15 175.47 1weu n GLU 60 N -5.19 -0.73 -3.61 2.37 0.28 -1.24 -4.86 120.64 107.66 1weu n GLU 60 Ca -0.09 0.13 -0.03 0.00 -0.16 0.00 0.00 57.16 57.01 1weu n GLU 60 Cb 0.28 -4.58 -0.06 0.00 1.43 0.00 0.00 31.44 28.52 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 -3.31 -0.80 0.19 -1.84 0.52 -1.26 -3.28 118.94 109.16 1weu s TRP 61 Ca 0.77 1.55 -0.04 0.00 0.02 0.00 0.00 56.10 58.40 1weu s TRP 61 Cb -0.45 0.48 0.02 0.00 -1.15 0.00 0.00 33.47 32.37 1weu s TRP 61 CO 1.01 -0.40 0.32 1.19 0.02 0.00 0.00 176.95 179.10 1weu n PHE 62 N 4.23 -1.30 -3.99 -1.98 3.72 -1.26 -2.87 117.46 114.00 1weu n PHE 62 Ca -0.17 -1.09 -0.20 0.00 -0.05 0.00 0.00 57.45 55.94 1weu n PHE 62 Cb 0.56 0.37 -0.01 0.00 -0.94 0.00 0.00 39.48 39.46 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 -0.29 -0.38 -0.06 1.38 8.25 -1.26 -4.02 115.22 118.84 1weu n HIS 63 Ca -0.02 -1.68 -0.22 0.00 -0.26 0.00 0.00 57.72 55.54 1weu n HIS 63 Cb 0.30 -0.29 -0.12 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.26 0.93 0.98 4.41 3.01 -1.26 -3.96 117.46 120.32 1weu n PHE 64 Ca -0.05 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.69 1weu n PHE 64 Cb 0.44 -1.11 0.00 0.00 -0.01 0.00 0.00 39.48 38.80 1weu n PHE 64 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1weu n ALA 65 N -3.30 2.48 0.00 4.37 0.00 -1.26 -0.75 120.51 122.05 1weu n ALA 65 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1weu n ALA 65 Cb 0.89 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.36 0.24 -2.50 0.00 0.24 -1.14 -5.01 118.33 108.80 1weu n VAL 67 Ca 0.00 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.34 61.99 1weu n VAL 67 Cb 0.08 0.90 0.01 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.12 -1.15 2.30 7.63 0.00 0.07 -5.02 105.19 108.90 1weu n GLY 68 Ca 0.00 0.88 -0.24 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.40 1.46 -0.30 0.99 4.77 -0.76 -4.96 117.00 117.79 1weu n LEU 69 Ca 0.08 -4.99 0.18 0.00 -0.03 0.00 0.00 56.01 51.25 1weu n LEU 69 Cb 0.34 0.25 0.34 0.00 -2.33 0.00 0.00 43.42 42.02 1weu n LEU 69 CO 0.35 2.12 0.79 0.41 -1.33 0.00 0.00 177.39 179.73 1weu n THR 70 N 0.99 -0.38 -4.15 -5.08 -1.04 -1.26 -4.40 114.28 98.96 1weu n THR 70 Ca 0.25 1.93 -0.17 0.00 -2.04 0.00 0.00 64.05 64.01 1weu n THR 70 Cb 0.51 -2.90 -0.12 0.00 -1.82 0.00 0.00 70.33 66.00 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 -5.71 0.98 -0.25 12.58 2.01 -1.26 -5.11 115.64 118.88 1weu s THR 71 Ca -0.11 -1.30 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 1weu s THR 71 Cb 0.28 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1weu s THR 71 CO 0.70 -0.29 1.29 -0.75 -0.69 0.00 0.00 174.62 174.88 1weu s LYS 72 N -1.82 4.03 0.46 4.92 2.20 -1.26 -4.90 119.74 123.38 1weu s LYS 72 Ca -0.03 1.41 0.25 0.00 -0.36 0.00 0.00 55.97 57.25 1weu s LYS 72 Cb -0.09 -3.84 1.06 0.00 -1.51 0.00 0.00 37.83 33.45 1weu s LYS 72 CO 0.02 -0.96 1.89 -1.00 -0.36 0.00 0.00 175.35 174.93 1weu h PRO 73 N 8.90 0.00 -5.54 4.03 0.13 -1.94 -3.46 132.00 134.12 1weu h PRO 73 Ca -0.26 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.51 1weu h PRO 73 Cb 1.10 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.01 1weu h PRO 73 CO 1.01 0.20 -0.52 2.89 -0.23 0.00 0.00 178.00 181.35 1weu n ARG 74 N -3.45 -1.07 0.00 0.86 1.85 -1.26 -4.60 116.66 108.99 1weu n ARG 74 Ca -0.00 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1weu n ARG 74 Cb 0.38 -3.23 0.00 0.00 -1.05 0.00 0.00 32.46 28.56 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 -0.79 0.41 2.34 2.89 0.00 -1.26 -5.06 105.19 103.71 1weu n GLY 75 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.08 0.98 -3.65 1.61 4.76 -1.26 -4.96 118.16 115.56 1weu n LYS 76 Ca 0.00 -3.56 -0.40 0.00 -2.87 0.00 0.00 58.31 51.49 1weu n LYS 76 Cb 0.00 -1.59 -0.11 0.00 -1.84 0.00 0.00 35.03 31.49 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 -1.12 3.28 -0.15 2.13 -0.00 -1.26 -5.03 118.94 116.78 1weu s TRP 77 Ca 0.35 -1.28 -0.12 0.00 -0.00 0.00 0.00 56.10 55.04 1weu s TRP 77 Cb 0.12 -2.54 -0.05 0.00 -0.00 0.00 0.00 33.47 31.00 1weu s TRP 77 CO -0.12 -0.74 0.24 -0.06 -0.00 0.00 0.00 176.95 176.28 1weu s PHE 78 N 1.47 3.49 0.79 5.86 0.40 -1.26 -3.31 117.98 125.41 1weu s PHE 78 Ca 0.01 0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 56.75 1weu s PHE 78 Cb -0.20 -2.24 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 1weu s PHE 78 CO 0.04 0.35 0.58 0.00 0.70 0.00 0.00 175.22 176.89 1weu n PRO 80 N -1.23 0.49 -0.07 0.00 -0.04 -1.26 -2.25 135.00 130.63 1weu n PRO 80 Ca 0.10 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1weu n PRO 80 Cb 0.51 -1.15 -0.11 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.68 0.00 0.54 1.74 -1.26 -4.29 116.66 114.42 1weu n ARG 81 Ca 0.03 -0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.90 1weu n ARG 81 Cb 0.02 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 29.96 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 -0.31 0.59 -3.05 0.00 0.87 -1.75 -3.19 113.55 106.71 1weu h SER 83 Ca -0.31 0.03 -0.75 0.00 -1.23 0.00 0.00 61.79 59.52 1weu h SER 83 Cb 1.76 -0.09 -0.32 0.00 -0.44 0.00 0.00 62.40 63.31 1weu h SER 83 CO 0.05 0.38 0.31 1.67 -0.53 0.00 0.00 176.83 178.71 1weu n GLN 84 N -4.76 3.56 -3.48 2.24 -0.06 -1.26 -5.01 117.38 108.61 1weu n GLN 84 Ca 0.09 -4.54 -0.42 0.00 -2.00 0.00 0.00 57.00 50.13 1weu n GLN 84 Cb 0.17 -2.46 -0.10 0.00 -4.06 0.00 0.00 30.24 23.79 1weu n GLN 84 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1weu s GLU 85 N -2.08 3.21 -1.26 3.69 2.56 -1.21 -4.83 118.70 118.77 1weu s GLU 85 Ca 0.32 -0.83 -0.19 0.00 0.00 0.00 0.00 54.97 54.27 1weu s GLU 85 Cb 0.00 -3.90 0.02 0.00 2.00 0.00 0.00 34.13 32.24 1weu s GLU 85 CO -0.01 -0.62 1.86 0.43 -0.56 0.00 0.00 175.26 176.36 1weu n SER 86 N 5.17 4.23 -4.72 -1.70 7.64 -1.26 -4.95 113.62 118.03 1weu n SER 86 Ca -0.11 -2.84 -0.42 0.00 1.01 0.00 0.00 58.87 56.50 1weu n SER 86 Cb 0.48 -1.70 -0.03 0.00 -1.01 0.00 0.00 64.21 61.95 1weu n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1weu s GLY 87 N 4.69 1.52 0.21 0.23 0.00 -1.26 -4.95 107.32 107.75 1weu s GLY 87 Ca 0.57 1.44 -0.30 0.00 0.00 0.00 0.00 44.72 46.42 1weu s GLY 87 CO 0.08 2.68 1.30 2.56 0.00 0.00 0.00 173.10 179.71 1weu s PRO 88 N 1.02 4.40 0.16 2.90 0.04 -1.26 -5.04 135.00 137.22 1weu s PRO 88 Ca 0.71 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.86 1weu s PRO 88 Cb -0.45 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1weu s PRO 88 CO 0.33 -0.24 0.06 0.45 0.04 0.00 0.00 177.00 177.64 1weu s SER 89 N 0.27 5.10 -0.14 6.66 0.15 -1.26 -5.12 113.70 119.36 1weu s SER 89 Ca 0.56 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 1weu s SER 89 Cb -0.36 -1.21 0.05 0.00 -1.71 0.00 0.00 66.02 62.79 1weu s SER 89 CO 0.39 0.09 0.03 -0.94 1.20 0.00 0.00 173.24 174.01 1weu s SER 90 N -2.95 2.33 0.00 5.45 1.04 -1.26 -5.34 113.70 112.97 1weu s SER 90 Ca 0.29 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1weu s SER 90 Cb -0.10 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1weu s SER 90 CO 0.21 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.77