#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 -0.03 0.12 1.61 0.15 -1.26 -5.19 113.70 109.10 1weu s SER 2 Ca 0.00 -0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.17 1weu s SER 2 Cb 0.00 0.20 0.08 0.00 -1.71 0.00 0.00 66.02 64.59 1weu s SER 2 CO 0.00 -0.39 1.06 -0.55 1.20 0.00 0.00 173.24 174.56 1weu s SER 3 N -3.37 -0.11 0.00 5.45 0.15 -1.26 -5.19 113.70 109.37 1weu s SER 3 Ca 0.21 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1weu s SER 3 Cb 0.02 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1weu s SER 3 CO -0.01 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1weu n GLY 4 N -0.54 0.03 3.63 9.45 0.00 -1.26 -5.19 105.19 111.31 1weu n GLY 4 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.08 0.03 1.61 0.15 -1.26 -5.19 113.70 108.95 1weu s SER 5 Ca 0.00 -0.14 -0.27 0.00 0.70 0.00 0.00 55.95 56.24 1weu s SER 5 Cb 0.00 0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.60 1weu s SER 5 CO 0.00 -0.35 1.23 -0.44 1.20 0.00 0.00 173.24 174.88 1weu s SER 6 N -2.87 -0.00 0.00 5.45 0.01 -1.26 -5.19 113.70 109.83 1weu s SER 6 Ca 0.13 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1weu s SER 6 Cb 0.04 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1weu s SER 6 CO -0.03 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1weu n GLY 7 N -0.81 3.39 3.31 3.44 0.00 -1.26 -5.16 105.19 108.11 1weu n GLY 7 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.20 1weu n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1weu s SER 8 N 0.00 -0.50 1.16 1.61 0.15 -1.26 -5.18 113.70 109.69 1weu s SER 8 Ca 0.00 0.59 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 1weu s SER 8 Cb 0.00 1.53 0.20 0.00 -1.71 0.00 0.00 66.02 66.04 1weu s SER 8 CO 0.00 -0.09 0.71 -0.81 1.20 0.00 0.00 173.24 174.25 1weu n PRO 9 N 5.02 -2.41 -3.54 5.44 -0.04 -1.26 -5.10 135.00 133.11 1weu n PRO 9 Ca -0.08 -1.14 -0.13 0.00 -0.04 0.00 0.00 63.50 62.12 1weu n PRO 9 Cb 0.53 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 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 -4.61 1.12 0.30 0.54 2.56 -1.26 -5.19 118.70 112.16 1weu s GLU 10 Ca 0.46 -0.41 -0.07 0.00 0.00 0.00 0.00 54.97 54.95 1weu s GLU 10 Cb -0.05 0.51 0.00 0.00 2.00 0.00 0.00 34.13 36.60 1weu s GLU 10 CO 0.35 -0.44 0.47 0.71 -0.56 0.00 0.00 175.26 175.79 1weu s TYR 11 N -3.15 0.72 0.22 5.30 2.02 -1.26 -5.19 117.35 116.01 1weu s TYR 11 Ca -0.01 -1.04 -0.03 0.00 -0.37 0.00 0.00 57.07 55.62 1weu s TYR 11 Cb -0.00 0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.58 1weu s TYR 11 CO -0.07 -1.07 0.20 0.20 -1.57 0.00 0.00 175.55 173.24 1weu s GLY 12 N -3.13 1.34 -0.03 0.71 0.00 -1.26 -5.17 107.32 99.78 1weu s GLY 12 Ca 0.27 -1.58 -0.03 0.00 0.00 0.00 0.00 44.72 43.38 1weu s GLY 12 CO 0.14 -1.27 0.08 1.06 0.00 0.00 0.00 173.10 173.11 1weu s MET 13 N -4.08 0.10 0.40 2.90 -1.94 -1.26 -5.17 119.30 110.26 1weu s MET 13 Ca 0.36 0.08 -0.07 0.00 -1.71 0.00 0.00 55.69 54.35 1weu s MET 13 Cb 0.05 0.05 0.10 0.00 2.01 0.00 0.00 34.83 37.04 1weu s MET 13 CO 0.12 -0.01 0.35 -0.35 -0.01 0.00 0.00 175.02 175.12 1weu n PRO 14 N 2.96 -1.72 -3.95 2.03 -0.04 -1.26 -5.09 135.00 127.93 1weu n PRO 14 Ca -0.13 -0.57 -0.10 0.00 -0.04 0.00 0.00 63.50 62.67 1weu n PRO 14 Cb 0.59 -0.53 -0.12 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.18 -0.20 3.54 1.04 -1.26 -5.16 113.70 109.38 1weu s SER 15 Ca 0.23 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 1weu s SER 15 Cb -0.02 0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.24 1weu s SER 15 CO 0.18 -0.23 0.49 0.54 0.98 0.00 0.00 173.24 175.19 1weu s VAL 16 N -1.12 -0.01 0.24 5.02 0.11 -1.26 -5.17 120.40 118.21 1weu s VAL 16 Ca -0.12 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.07 1weu s VAL 16 Cb -0.08 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1weu s VAL 16 CO -0.01 0.02 0.04 0.28 -3.33 0.00 0.00 175.10 172.10 1weu s THR 17 N 1.23 3.71 0.68 5.04 -1.32 -1.26 -5.14 115.64 118.58 1weu s THR 17 Ca -0.08 -1.71 -0.01 0.00 -1.21 0.00 0.00 61.69 58.68 1weu s THR 17 Cb -0.07 -2.96 0.10 0.00 -1.51 0.00 0.00 72.50 68.06 1weu s THR 17 CO -0.12 -0.32 0.95 -0.36 -2.21 0.00 0.00 174.62 172.57 1weu s PHE 18 N -2.16 2.08 0.00 9.09 0.08 -1.26 -5.11 117.98 120.70 1weu s PHE 18 Ca 0.31 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1weu s PHE 18 Cb -0.07 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 1weu s PHE 18 CO 0.21 -1.48 0.00 0.41 -0.10 0.00 0.00 175.22 174.25 1weu n GLY 19 N -2.75 2.56 3.48 4.36 0.00 -1.26 -5.19 105.19 106.39 1weu n GLY 19 Ca 0.12 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1weu n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1weu s SER 20 N 0.00 -0.04 0.66 1.61 1.04 -1.26 -5.16 113.70 110.55 1weu s SER 20 Ca 0.00 -0.95 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 1weu s SER 20 Cb 0.00 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1weu s SER 20 CO 0.00 -1.04 1.19 0.54 0.98 0.00 0.00 173.24 174.91 1weu s VAL 21 N -4.02 2.63 0.12 5.02 0.11 -1.26 -4.99 120.40 118.01 1weu s VAL 21 Ca 0.23 0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 59.35 1weu s VAL 21 Cb 0.01 -2.98 -0.07 0.00 -1.53 0.00 0.00 36.38 31.82 1weu s VAL 21 CO 0.07 -0.14 0.83 -1.38 -3.33 0.00 0.00 175.10 171.16 1weu s HIS 22 N -1.89 3.83 0.25 1.54 -3.43 -1.26 -5.03 115.29 109.31 1weu s HIS 22 Ca 0.74 1.65 -0.30 0.00 -0.80 0.00 0.00 55.06 56.35 1weu s HIS 22 Cb -0.28 -2.88 -0.09 0.00 -1.43 0.00 0.00 32.58 27.90 1weu s HIS 22 CO 0.39 0.35 1.27 -1.25 -2.00 0.00 0.00 174.74 173.49 1weu s PRO 23 N -0.47 4.43 0.72 -0.38 0.04 -1.26 -5.03 135.00 133.05 1weu s PRO 23 Ca 0.40 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.39 1weu s PRO 23 Cb -0.22 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.20 1weu s PRO 23 CO 0.26 -0.14 1.08 0.45 0.04 0.00 0.00 177.00 178.69 1weu s SER 24 N -0.13 5.07 -0.16 6.66 0.15 -1.26 -5.09 113.70 118.94 1weu s SER 24 Ca 0.52 0.84 -0.04 0.00 0.70 0.00 0.00 55.95 57.97 1weu s SER 24 Cb -0.36 -1.55 0.07 0.00 -1.71 0.00 0.00 66.02 62.47 1weu s SER 24 CO 0.43 -1.52 0.17 1.51 1.20 0.00 0.00 173.24 175.04 1weu s ASP 25 N -4.45 1.43 -0.79 5.45 1.47 -1.26 -5.10 116.67 113.42 1weu s ASP 25 Ca 0.59 -0.16 -0.19 0.00 1.18 0.00 0.00 52.55 53.97 1weu s ASP 25 Cb -0.11 0.21 0.12 0.00 -0.34 0.00 0.00 42.92 42.80 1weu s ASP 25 CO 0.49 -0.31 0.99 -0.69 0.68 0.00 0.00 175.17 176.32 1weu s VAL 26 N 2.27 4.69 0.24 2.11 1.01 -1.26 -5.02 120.40 124.46 1weu s VAL 26 Ca 0.05 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 1weu s VAL 26 Cb -0.15 -4.68 -0.12 0.00 0.00 0.00 0.00 36.38 31.43 1weu s VAL 26 CO -0.10 -1.40 1.68 0.18 0.00 0.00 0.00 175.10 175.47 1weu n LEU 27 N 6.65 4.18 -3.94 3.92 7.99 -1.26 -4.99 117.00 129.55 1weu n LEU 27 Ca 0.10 1.09 -0.30 0.00 -0.01 0.00 0.00 56.01 56.90 1weu n LEU 27 Cb 0.47 -1.59 -0.16 0.00 -0.11 0.00 0.00 43.42 42.03 1weu n LEU 27 CO 0.54 0.19 -0.44 -1.81 -1.51 0.00 0.00 177.39 174.37 1weu s ASP 28 N 0.91 3.31 0.00 -1.43 1.01 -1.26 -5.10 116.67 114.11 1weu s ASP 28 Ca 0.71 -0.88 -0.30 0.00 0.71 0.00 0.00 52.55 52.78 1weu s ASP 28 Cb -0.50 -1.11 -0.06 0.00 1.01 0.00 0.00 42.92 42.27 1weu s ASP 28 CO 0.39 -0.18 1.43 0.00 0.21 0.00 0.00 175.17 177.01 1weu s MET 29 N 1.48 4.27 0.75 8.23 0.23 -1.26 -5.00 119.30 128.00 1weu s MET 29 Ca -0.02 2.00 -0.11 0.00 -1.03 0.00 0.00 55.69 56.53 1weu s MET 29 Cb -0.17 -3.59 0.05 0.00 -1.53 0.00 0.00 34.83 29.59 1weu s MET 29 CO -0.08 -0.60 1.09 -1.25 -2.03 0.00 0.00 175.02 172.16 1weu s PRO 30 N 2.48 2.34 0.11 3.16 0.04 -1.26 -4.92 135.00 136.96 1weu s PRO 30 Ca 0.65 1.21 -0.35 0.00 0.04 0.00 0.00 61.00 62.54 1weu s PRO 30 Cb -0.32 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 1weu s PRO 30 CO 0.27 -1.58 1.21 0.28 0.04 0.00 0.00 177.00 177.21 1weu n VAL 31 N -3.33 0.40 -4.20 -0.36 0.31 -1.26 -4.97 118.33 104.92 1weu n VAL 31 Ca 0.09 -0.10 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 1weu n VAL 31 Cb 0.53 -0.68 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 1weu n VAL 31 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1weu s ASP 32 N 0.18 4.84 0.00 4.52 1.11 -1.26 -5.00 116.67 121.07 1weu s ASP 32 Ca 0.80 -0.39 0.11 0.00 0.18 0.00 0.00 52.55 53.26 1weu s ASP 32 Cb -0.96 -1.05 0.67 0.00 1.07 0.00 0.00 42.92 42.65 1weu s ASP 32 CO 0.51 0.07 1.10 -0.81 1.18 0.00 0.00 175.17 177.22 1weu n PRO 33 N -0.25 0.49 -0.21 8.23 -0.04 -1.26 -3.78 135.00 138.18 1weu n PRO 33 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1weu n PRO 33 Cb 0.56 -1.36 0.06 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.56 -4.12 3.54 2.35 -2.00 -3.42 115.58 111.37 1weu h ASN 34 Ca 0.00 0.18 -0.55 0.00 -0.55 0.00 0.00 56.30 55.39 1weu h ASN 34 Cb 0.00 0.38 0.17 0.00 0.05 0.00 0.00 38.32 38.92 1weu h ASN 34 CO 0.00 -0.20 0.38 -0.62 -1.65 0.00 0.00 177.43 175.34 1weu n GLU 35 N -5.42 0.56 -2.19 0.81 1.02 -1.25 -4.93 120.64 109.25 1weu n GLU 35 Ca 0.07 0.26 -0.42 0.00 -0.02 0.00 0.00 57.16 57.05 1weu n GLU 35 Cb 0.32 -2.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.26 1weu n GLU 35 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1weu s PRO 36 N -3.76 4.31 -0.10 3.49 0.04 -1.26 -4.73 135.00 132.99 1weu s PRO 36 Ca 0.77 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.77 1weu s PRO 36 Cb -0.33 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1weu s PRO 36 CO 0.47 -0.48 0.17 0.95 0.04 0.00 0.00 177.00 178.15 1weu s THR 37 N 1.57 5.45 0.08 1.26 -4.23 -1.26 -3.90 115.64 114.61 1weu s THR 37 Ca 0.64 0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 61.39 1weu s THR 37 Cb -0.35 -3.44 -0.00 0.00 1.34 0.00 0.00 72.50 70.04 1weu s THR 37 CO 0.29 0.59 -0.03 -1.22 -0.54 0.00 0.00 174.62 173.72 1weu n TYR 38 N 1.88 0.00 -0.93 3.99 4.02 -1.21 -4.87 117.16 120.04 1weu n TYR 38 Ca -0.19 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.40 1weu n TYR 38 Cb 0.55 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 39.84 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 -0.23 0.54 -2.22 0.00 4.07 -1.97 0.19 115.31 115.68 1weu h LEU 40 Ca -0.33 0.07 0.02 0.00 0.08 0.00 0.00 57.88 57.72 1weu h LEU 40 Cb 1.11 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 1weu h LEU 40 CO 0.29 0.29 0.26 0.00 -1.08 0.00 0.00 178.44 178.20 1weu n HIS 42 N -3.18 -0.60 -4.24 0.00 -0.00 0.66 -5.07 115.22 102.80 1weu n HIS 42 Ca -0.00 0.24 -0.23 0.00 0.46 0.00 0.00 57.72 58.19 1weu n HIS 42 Cb 0.34 -2.63 -0.07 0.00 -0.12 0.00 0.00 29.99 27.52 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 -4.56 2.31 -0.21 1.57 -1.52 -1.26 -4.87 119.66 111.13 1weu s GLN 43 Ca 0.03 -1.48 -0.29 0.00 -1.95 0.00 0.00 55.36 51.67 1weu s GLN 43 Cb -0.01 -2.15 -0.01 0.00 -0.22 0.00 0.00 33.01 30.61 1weu s GLN 43 CO 0.19 0.27 1.36 0.14 -0.25 0.00 0.00 175.29 177.00 1weu s VAL 44 N -2.37 4.09 0.26 1.09 -7.23 -1.26 -3.36 120.40 111.63 1weu s VAL 44 Ca 0.34 1.28 -0.31 0.00 -1.81 0.00 0.00 61.98 61.48 1weu s VAL 44 Cb -0.05 -3.96 -0.13 0.00 0.56 0.00 0.00 36.38 32.80 1weu s VAL 44 CO 0.21 -0.27 1.44 -1.54 -0.31 0.00 0.00 175.10 174.63 1weu n SER 45 N 7.26 3.01 0.02 4.85 3.41 -1.25 -4.91 113.62 126.00 1weu n SER 45 Ca 0.15 1.15 -0.02 0.00 -0.26 0.00 0.00 58.87 59.90 1weu n SER 45 Cb 0.45 -1.47 -0.01 0.00 -0.26 0.00 0.00 64.21 62.93 1weu n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1weu n TYR 46 N 1.77 0.00 0.00 7.33 4.11 -1.26 -5.05 117.16 124.06 1weu n TYR 46 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.00 1weu n TYR 46 Cb 0.33 -0.07 0.00 0.00 -0.00 0.00 0.00 39.34 39.61 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 3.13 -0.41 3.55 -7.48 0.00 -1.26 -5.07 105.19 97.64 1weu n GLY 47 Ca -0.03 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.23 0.90 -3.69 1.61 1.02 -1.26 -4.87 120.64 112.12 1weu n GLU 48 Ca 0.00 -0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 56.87 1weu n GLU 48 Cb 0.00 -3.40 -0.05 0.00 -0.02 0.00 0.00 31.44 27.97 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 8.43 0.99 0.00 3.49 -1.94 -1.26 -4.02 119.30 124.99 1weu s MET 49 Ca 0.99 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 1weu s MET 49 Cb -0.22 0.43 0.00 0.00 2.01 0.00 0.00 34.83 37.05 1weu s MET 49 CO 0.24 -0.37 0.00 0.44 -0.01 0.00 0.00 175.02 175.32 1weu n ILE 50 N -0.06 0.00 -1.04 2.53 -0.00 -1.25 -4.83 119.36 114.70 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 0.63 -0.40 0.00 0.00 -0.00 0.00 0.00 39.64 39.86 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 1.90 -4.22 3.71 3.28 0.00 -1.26 -4.86 105.19 103.73 1weu n GLY 51 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 6.90 0.00 -2.64 0.00 1.82 -1.88 -3.41 116.42 117.21 1weu h ASP 53 Ca -0.39 0.00 -0.55 0.00 -0.39 0.00 0.00 57.03 55.70 1weu h ASP 53 Cb 1.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1weu h ASP 53 CO 0.79 0.00 1.08 0.21 -1.61 0.00 0.00 179.24 179.71 1weu s ASN 54 N -6.64 6.65 0.34 2.28 2.47 -1.26 -4.89 114.94 113.89 1weu s ASN 54 Ca -0.05 2.15 0.13 0.00 0.42 0.00 0.00 52.86 55.51 1weu s ASN 54 Cb 0.17 -2.53 0.59 0.00 -1.45 0.00 0.00 41.25 38.03 1weu s ASN 54 CO 0.65 -0.95 1.74 1.55 -3.72 0.00 0.00 177.10 176.37 1weu h PRO 55 N 9.58 0.00 -0.30 0.43 0.13 -2.04 -3.03 132.00 136.78 1weu h PRO 55 Ca -0.38 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 1weu h PRO 55 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1weu h PRO 55 CO 0.96 0.46 -0.33 -0.44 -0.23 0.00 0.00 178.00 178.42 1weu h ASP 56 N 0.00 0.68 -1.33 1.44 3.32 -1.95 -3.44 116.42 115.14 1weu h ASP 56 Ca -0.00 -0.28 -0.78 0.00 0.02 0.00 0.00 57.03 55.99 1weu h ASP 56 Cb 0.85 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 40.23 1weu h ASP 56 CO 0.06 0.96 0.66 0.00 -1.72 0.00 0.00 179.24 179.20 1weu h SER 58 N 5.59 0.33 0.11 0.00 0.87 -1.90 -3.33 113.55 115.23 1weu h SER 58 Ca -0.46 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 59.59 1weu h SER 58 Cb 1.35 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1weu h SER 58 CO 0.90 0.76 -0.05 0.40 -0.53 0.00 0.00 176.83 178.31 1weu h ILE 59 N -0.10 1.10 -5.64 2.23 2.04 -1.91 -3.46 117.51 111.77 1weu h ILE 59 Ca 0.02 -1.20 -0.37 0.00 1.00 0.00 0.00 64.86 64.31 1weu h ILE 59 Cb 0.68 1.81 -0.23 0.00 -0.74 0.00 0.00 36.82 38.34 1weu h ILE 59 CO 0.03 0.27 -0.53 -1.84 0.00 0.00 0.00 178.15 176.08 1weu n GLU 60 N -4.89 -1.11 -3.60 2.37 0.28 -1.25 -4.81 120.64 107.62 1weu n GLU 60 Ca -0.08 0.08 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 1weu n GLU 60 Cb 0.28 -3.40 -0.05 0.00 1.43 0.00 0.00 31.44 29.70 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 -2.40 -1.12 0.20 -1.84 0.52 -1.26 -3.23 118.94 109.80 1weu s TRP 61 Ca 0.49 2.01 -0.01 0.00 0.02 0.00 0.00 56.10 58.61 1weu s TRP 61 Cb -0.29 0.67 0.01 0.00 -1.15 0.00 0.00 33.47 32.71 1weu s TRP 61 CO 0.60 -0.56 0.27 1.19 0.02 0.00 0.00 176.95 178.48 1weu n PHE 62 N 5.02 -1.01 -4.27 -1.98 3.72 -1.26 -2.24 117.46 115.43 1weu n PHE 62 Ca -0.14 -1.30 -0.30 0.00 -0.05 0.00 0.00 57.45 55.67 1weu n PHE 62 Cb 0.52 0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 39.34 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 -3.88 1.60 -0.10 1.38 3.76 -1.26 -3.94 115.29 112.84 1weu s HIS 63 Ca 0.16 -0.93 -0.01 0.00 -0.15 0.00 0.00 55.06 54.12 1weu s HIS 63 Cb -0.01 -1.76 -0.25 0.00 1.11 0.00 0.00 32.58 31.67 1weu s HIS 63 CO 0.11 -0.23 0.43 1.19 -0.85 0.00 0.00 174.74 175.39 1weu n PHE 64 N -1.60 1.16 1.04 1.40 3.72 -1.26 -3.85 117.46 118.07 1weu n PHE 64 Ca -0.10 0.28 0.01 0.00 -0.05 0.00 0.00 57.45 57.59 1weu n PHE 64 Cb 0.66 -1.17 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 -2.89 2.58 0.00 4.37 0.00 -1.26 -0.23 120.51 123.08 1weu n ALA 65 Ca -0.28 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.02 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 -1.44 0.14 -2.22 0.00 0.24 -1.17 -5.02 118.33 108.85 1weu n VAL 67 Ca 0.00 -0.24 -0.04 0.00 -2.04 0.00 0.00 64.34 62.03 1weu n VAL 67 Cb 0.10 1.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.07 -1.00 2.53 7.63 0.00 0.68 -5.04 105.19 109.92 1weu n GLY 68 Ca 0.00 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.97 2.24 0.14 0.99 1.43 -0.67 -5.00 118.68 115.84 1weu s LEU 69 Ca 0.12 -3.21 -0.09 0.00 -1.03 0.00 0.00 54.13 49.92 1weu s LEU 69 Cb -0.03 -0.74 0.17 0.00 0.03 0.00 0.00 46.19 45.62 1weu s LEU 69 CO 0.40 -0.16 0.88 0.41 0.23 0.00 0.00 176.35 178.12 1weu n THR 70 N 2.70 -0.28 -4.02 5.49 -1.04 -1.26 -4.55 114.28 111.30 1weu n THR 70 Ca 0.26 1.32 -0.10 0.00 -2.04 0.00 0.00 64.05 63.50 1weu n THR 70 Cb 0.44 -1.77 -0.08 0.00 -1.82 0.00 0.00 70.33 67.10 1weu n THR 70 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1weu s THR 71 N -5.58 0.08 -0.25 12.58 -4.23 -1.26 -5.09 115.64 111.89 1weu s THR 71 Ca -0.08 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 58.57 1weu s THR 71 Cb 0.13 -1.89 -0.06 0.00 1.34 0.00 0.00 72.50 72.01 1weu s THR 71 CO 0.41 -0.37 2.23 1.17 -0.54 0.00 0.00 174.62 177.52 1weu n LYS 72 N -0.16 1.81 0.19 3.99 4.81 -1.26 -4.83 118.16 122.70 1weu n LYS 72 Ca -0.07 0.48 0.05 0.00 -0.87 0.00 0.00 58.31 57.90 1weu n LYS 72 Cb 0.63 -3.14 0.38 0.00 0.02 0.00 0.00 35.03 32.91 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 14.91 0.00 -4.85 1.64 0.13 -1.93 -3.46 132.00 138.44 1weu h PRO 73 Ca -0.39 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.47 1weu h PRO 73 Cb 1.25 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 1weu h PRO 73 CO 0.97 0.37 -0.40 2.89 -0.23 0.00 0.00 178.00 181.60 1weu n ARG 74 N -3.75 -0.99 -2.95 0.86 -4.01 -1.26 -4.73 116.66 99.84 1weu n ARG 74 Ca -0.01 0.06 -0.19 0.00 -1.04 0.00 0.00 57.85 56.67 1weu n ARG 74 Cb 0.45 -2.34 -0.02 0.00 -3.04 0.00 0.00 32.46 27.52 1weu n ARG 74 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1weu n GLY 75 N -0.72 3.91 2.98 2.89 0.00 -1.26 -4.94 105.19 108.05 1weu n GLY 75 Ca 0.05 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 0.01 -5.31 -2.77 1.61 4.76 -1.26 -4.95 118.16 110.25 1weu n LYS 76 Ca 0.25 0.69 -0.43 0.00 -2.87 0.00 0.00 58.31 55.95 1weu n LYS 76 Cb 0.63 -5.24 -0.03 0.00 -1.84 0.00 0.00 35.03 28.54 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 -3.29 2.97 -0.19 2.13 -0.00 -1.26 -4.94 118.94 114.35 1weu s TRP 77 Ca 0.01 0.63 -0.12 0.00 -0.00 0.00 0.00 56.10 56.61 1weu s TRP 77 Cb -0.00 -3.92 -0.05 0.00 -0.00 0.00 0.00 33.47 29.50 1weu s TRP 77 CO 0.60 -1.01 0.23 -0.06 -0.00 0.00 0.00 176.95 176.70 1weu s PHE 78 N 3.77 3.41 0.76 5.86 0.40 -1.26 -3.04 117.98 127.88 1weu s PHE 78 Ca 0.40 0.45 -0.16 0.00 -0.60 0.00 0.00 56.93 57.01 1weu s PHE 78 Cb -0.10 -2.30 -0.05 0.00 0.51 0.00 0.00 43.02 41.08 1weu s PHE 78 CO 0.24 0.19 0.30 0.00 0.70 0.00 0.00 175.22 176.65 1weu n PRO 80 N -0.29 0.49 -0.04 0.00 -0.04 -1.26 -2.11 135.00 131.74 1weu n PRO 80 Ca 0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1weu n PRO 80 Cb 0.51 -1.21 -0.12 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.71 1.09 -0.09 0.54 1.74 -1.26 -4.58 116.66 113.40 1weu n ARG 81 Ca 0.05 -0.07 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 1weu n ARG 81 Cb 0.02 -1.37 -0.12 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 -0.60 0.14 0.00 0.00 0.87 -1.70 -2.21 113.55 110.05 1weu h SER 83 Ca -0.48 0.27 -0.56 0.00 -1.23 0.00 0.00 61.79 59.78 1weu h SER 83 Cb 1.64 0.32 0.02 0.00 -0.44 0.00 0.00 62.40 63.94 1weu h SER 83 CO -0.17 -0.42 3.09 0.00 -0.53 0.00 0.00 176.83 178.80 1weu n GLN 84 N -5.31 2.69 -3.33 2.24 6.02 -1.26 -4.88 117.38 113.55 1weu n GLN 84 Ca 0.35 -1.92 -0.40 0.00 -0.01 0.00 0.00 57.00 55.01 1weu n GLN 84 Cb 1.17 -2.75 -0.09 0.00 1.02 0.00 0.00 30.24 29.60 1weu n GLN 84 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1weu s GLU 85 N 3.14 3.79 0.19 -1.09 2.12 -0.83 -5.06 118.70 120.96 1weu s GLU 85 Ca 0.54 -0.09 -0.20 0.00 0.36 0.00 0.00 54.97 55.57 1weu s GLU 85 Cb 0.14 -3.74 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 1weu s GLU 85 CO -0.03 -0.46 0.70 -1.54 -0.54 0.00 0.00 175.26 173.39 1weu s SER 86 N 1.69 7.09 0.00 -1.70 1.04 -1.26 -4.98 113.70 115.58 1weu s SER 86 Ca 0.16 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.00 1weu s SER 86 Cb -0.16 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1weu s SER 86 CO 0.11 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1weu n GLY 87 N 0.98 -0.31 3.57 7.32 0.00 -1.26 -5.08 105.19 110.42 1weu n GLY 87 Ca -0.04 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.00 2.97 -0.06 1.61 0.04 -1.26 -4.98 135.00 131.31 1weu s PRO 88 Ca 0.00 0.92 -0.03 0.00 0.04 0.00 0.00 61.00 61.92 1weu s PRO 88 Cb 0.00 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1weu s PRO 88 CO 0.00 -2.31 0.10 -1.54 0.04 0.00 0.00 177.00 173.29 1weu s SER 89 N 6.96 5.92 0.67 6.66 1.04 -1.26 -5.11 113.70 128.59 1weu s SER 89 Ca 0.71 0.29 -0.09 0.00 0.48 0.00 0.00 55.95 57.33 1weu s SER 89 Cb -0.16 -1.80 0.02 0.00 0.10 0.00 0.00 66.02 64.18 1weu s SER 89 CO 0.26 0.34 1.03 -0.44 0.98 0.00 0.00 173.24 175.41 1weu s SER 90 N -1.34 5.36 0.00 7.02 0.01 -1.26 -5.31 113.70 118.18 1weu s SER 90 Ca 0.19 0.88 0.22 0.00 1.31 0.00 0.00 55.95 58.55 1weu s SER 90 Cb -0.12 -1.71 0.18 0.00 0.21 0.00 0.00 66.02 64.58 1weu s SER 90 CO 0.09 -1.31 1.21 0.61 0.41 0.00 0.00 173.24 174.24